smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)Nc2ccc(NC3=[NH+]CCN3)cc2)c(C)cc1C(=O)Nc1ccc(NC2=[NH+]CCN2)cc1 ZINC000001694454 551689666 /nfs/dbraw/zinc/68/96/66/551689666.db2.gz FGUYCZNWEWZHLP-UHFFFAOYSA-N 2 2 510.602 3.550 40 0 KHABLP S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cccn2)cc1 ZINC000008636252 560106643 /nfs/dbraw/zinc/10/66/43/560106643.db2.gz DRKDOZYJIPVGNG-IBGGVINMSA-N 2 2 515.731 3.691 40 0 biogenic,in-vitro KHABLP C[N@@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)no1)Cc1ccccc1 ZINC000012482063 553375502 /nfs/dbraw/zinc/37/55/02/553375502.db2.gz JUCOJCXSYMOEGY-NSOVKSMOSA-N 3 2 515.702 3.809 40 0 biogenic,in-vitro KHABLP C[N@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)no1)Cc1ccccc1 ZINC000012482063 553375499 /nfs/dbraw/zinc/37/54/99/553375499.db2.gz JUCOJCXSYMOEGY-NSOVKSMOSA-N 3 2 515.702 3.809 40 0 biogenic,in-vitro KHABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)on1)N1CCc2ccccc2C1 ZINC000012483046 553376251 /nfs/dbraw/zinc/37/62/51/553376251.db2.gz VLMMCIZUXFKERH-BDYUSTAISA-N 2 2 513.686 3.740 40 0 biogenic,in-vitro KHABLP O=C(NCCCCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019015565 553612402 /nfs/dbraw/zinc/61/24/02/553612402.db2.gz FFLRVGASEMBLRO-UHFFFAOYSA-N 2 2 520.722 3.602 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000022838928 553758163 /nfs/dbraw/zinc/75/81/63/553758163.db2.gz WCYROWFQKKDZFL-CLJLJLNGSA-N 2 2 514.601 3.939 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000022838933 553758116 /nfs/dbraw/zinc/75/81/16/553758116.db2.gz WCYROWFQKKDZFL-IZZNHLLZSA-N 2 2 514.601 3.939 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000022838937 553758146 /nfs/dbraw/zinc/75/81/46/553758146.db2.gz WCYROWFQKKDZFL-FTJBHMTQSA-N 2 2 514.601 3.939 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000022838942 553758153 /nfs/dbraw/zinc/75/81/53/553758153.db2.gz WCYROWFQKKDZFL-UIOOFZCWSA-N 2 2 514.601 3.939 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000022860785 553762843 /nfs/dbraw/zinc/76/28/43/553762843.db2.gz MEIUOIVLDZPICB-KAYWLYCHSA-N 2 2 526.637 3.809 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000022860791 553762909 /nfs/dbraw/zinc/76/29/09/553762909.db2.gz MEIUOIVLDZPICB-RRPNLBNLSA-N 2 2 526.637 3.809 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000022860794 553762834 /nfs/dbraw/zinc/76/28/34/553762834.db2.gz MEIUOIVLDZPICB-SXOMAYOGSA-N 2 2 526.637 3.809 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000022860796 553762882 /nfs/dbraw/zinc/76/28/82/553762882.db2.gz MEIUOIVLDZPICB-SVBPBHIXSA-N 2 2 526.637 3.809 40 0 KHABLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000031937976 553862288 /nfs/dbraw/zinc/86/22/88/553862288.db2.gz NJZPTUYWDYIUBD-UHFFFAOYSA-N 2 2 514.626 3.856 40 0 KHABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066859046 /nfs/dbraw/zinc/85/90/46/1066859046.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 2 2 507.704 3.521 40 0 biogenic,in-vitro KHABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066859038 /nfs/dbraw/zinc/85/90/38/1066859038.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 2 2 507.704 3.521 40 0 biogenic,in-vitro KHABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066859031 /nfs/dbraw/zinc/85/90/31/1066859031.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 2 2 507.704 3.521 40 0 biogenic,in-vitro KHABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066859022 /nfs/dbraw/zinc/85/90/22/1066859022.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 2 2 507.704 3.521 40 0 biogenic,in-vitro KHABLP COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)CC1 ZINC000067878784 554534111 /nfs/dbraw/zinc/53/41/11/554534111.db2.gz XGJQOZWLIBWBEZ-SVBPBHIXSA-N 2 2 572.754 3.513 40 0 biogenic,in-vitro KHABLP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(=O)N2Cc3ccccc3C2)CC[N@H+]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105280 553640383 /nfs/dbraw/zinc/64/03/83/553640383.db2.gz VAHNMPYIDDIFGT-HRFSGMKKSA-N 2 2 518.608 3.847 40 0 KHABLP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(=O)N2Cc3ccccc3C2)CC[N@@H+]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105280 553640380 /nfs/dbraw/zinc/64/03/80/553640380.db2.gz VAHNMPYIDDIFGT-HRFSGMKKSA-N 2 2 518.608 3.847 40 0 KHABLP Cc1ccc(S(=O)(=O)C2(S(=O)(=O)c3ccc(C)cc3)NCCC[NH2+]CC[NH2+]CCCNC2(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095101083 553700385 /nfs/dbraw/zinc/70/03/85/553700385.db2.gz MMFCHQMWTKGIJY-UHFFFAOYSA-N 2 2 817.090 3.575 40 0 KHABLP O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290775 554283894 /nfs/dbraw/zinc/28/38/94/554283894.db2.gz DNSQOIJDBMSELL-WNJJXGMVSA-N 2 2 570.706 3.606 40 0 KHABLP O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290779 554283983 /nfs/dbraw/zinc/28/39/83/554283983.db2.gz DNSQOIJDBMSELL-LITSAYRRSA-N 2 2 570.706 3.606 40 0 KHABLP O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290785 554284008 /nfs/dbraw/zinc/28/40/08/554284008.db2.gz DNSQOIJDBMSELL-UHSQPCAPSA-N 2 2 570.706 3.606 40 0 KHABLP O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290788 554283961 /nfs/dbraw/zinc/28/39/61/554283961.db2.gz DNSQOIJDBMSELL-GGXMVOPNSA-N 2 2 570.706 3.606 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000102099170 554880921 /nfs/dbraw/zinc/88/09/21/554880921.db2.gz MTVQFUFUOIHVFF-WUFINQPMSA-N 2 2 556.663 3.904 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000102099175 554880891 /nfs/dbraw/zinc/88/08/91/554880891.db2.gz MTVQFUFUOIHVFF-NSOVKSMOSA-N 2 2 556.663 3.904 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000102099181 554880903 /nfs/dbraw/zinc/88/09/03/554880903.db2.gz MTVQFUFUOIHVFF-VSGBNLITSA-N 2 2 556.663 3.904 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000102099189 554880868 /nfs/dbraw/zinc/88/08/68/554880868.db2.gz MTVQFUFUOIHVFF-IZLXSDGUSA-N 2 2 556.663 3.904 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099237 554880940 /nfs/dbraw/zinc/88/09/40/554880940.db2.gz RVYDZFQHYLDZJH-IZLXSDGUSA-N 2 2 586.689 3.826 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099241 554880916 /nfs/dbraw/zinc/88/09/16/554880916.db2.gz RVYDZFQHYLDZJH-NSOVKSMOSA-N 2 2 586.689 3.826 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099247 554880946 /nfs/dbraw/zinc/88/09/46/554880946.db2.gz RVYDZFQHYLDZJH-VSGBNLITSA-N 2 2 586.689 3.826 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099250 554880930 /nfs/dbraw/zinc/88/09/30/554880930.db2.gz RVYDZFQHYLDZJH-WUFINQPMSA-N 2 2 586.689 3.826 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000102252298 554903903 /nfs/dbraw/zinc/90/39/03/554903903.db2.gz DOBVGWJIYCTGLK-IZLXSDGUSA-N 2 2 556.663 3.817 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000102252301 554904018 /nfs/dbraw/zinc/90/40/18/554904018.db2.gz DOBVGWJIYCTGLK-NSOVKSMOSA-N 2 2 556.663 3.817 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000102252305 554904054 /nfs/dbraw/zinc/90/40/54/554904054.db2.gz DOBVGWJIYCTGLK-VSGBNLITSA-N 2 2 556.663 3.817 40 0 KHABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000102252311 554904026 /nfs/dbraw/zinc/90/40/26/554904026.db2.gz DOBVGWJIYCTGLK-WUFINQPMSA-N 2 2 556.663 3.817 40 0 KHABLP O=S(=O)(c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150413247 571484678 /nfs/dbraw/zinc/48/46/78/571484678.db2.gz WQLQQQVFFPPUOW-TYHGNQNSSA-N 2 2 714.929 3.634 40 0 KHABLP CC(C)[N@@H+](C[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000167872494 571552958 /nfs/dbraw/zinc/55/29/58/571552958.db2.gz VAVSYAHRMOHGMQ-URXXTGRUSA-N 2 2 561.731 3.928 40 0 KHABLP CC(C)[N@H+](C[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000167872494 571552957 /nfs/dbraw/zinc/55/29/57/571552957.db2.gz VAVSYAHRMOHGMQ-URXXTGRUSA-N 2 2 561.731 3.928 40 0 KHABLP CC(C)[N@@H+](C[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2[nH]c3ccc(C(C)(C)C)cc3[nH+]2)C1 ZINC000167872494 571552956 /nfs/dbraw/zinc/55/29/56/571552956.db2.gz VAVSYAHRMOHGMQ-URXXTGRUSA-N 3 2 561.731 3.928 40 0 KHABLP CC(C)[N@H+](C[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2[nH]c3ccc(C(C)(C)C)cc3[nH+]2)C1 ZINC000167872494 571552955 /nfs/dbraw/zinc/55/29/55/571552955.db2.gz VAVSYAHRMOHGMQ-URXXTGRUSA-N 3 2 561.731 3.928 40 0 KHABLP Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225588471 571945643 /nfs/dbraw/zinc/94/56/43/571945643.db2.gz DNUGWNYRCPXJIR-UHFFFAOYSA-N 2 2 523.074 3.574 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccc(F)cc1)CC2=O)NCC[NH+]1CCCC1 ZINC000253400722 572284999 /nfs/dbraw/zinc/28/49/99/572284999.db2.gz LOGXIXHZCVOHFN-UHJOWHAZSA-N 2 2 548.703 3.843 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)CC2=O)NCC[NH+]1CCCC1 ZINC000253400722 572284998 /nfs/dbraw/zinc/28/49/98/572284998.db2.gz LOGXIXHZCVOHFN-UHJOWHAZSA-N 2 2 548.703 3.843 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccc1)CC2=O)NCC[NH+]1CCCC1 ZINC000253402976 572285462 /nfs/dbraw/zinc/28/54/62/572285462.db2.gz PENBADANLVGWJR-CGMADUAPSA-N 2 2 530.713 3.704 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccc1)CC2=O)NCC[NH+]1CCCC1 ZINC000253402976 572285460 /nfs/dbraw/zinc/28/54/60/572285460.db2.gz PENBADANLVGWJR-CGMADUAPSA-N 2 2 530.713 3.704 40 0 KHABLP COc1cccc(C[N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)c1 ZINC000253403364 572285679 /nfs/dbraw/zinc/28/56/79/572285679.db2.gz PSXPQYAZYBKPFO-HMFNMPRKSA-N 2 2 560.739 3.713 40 0 KHABLP COc1cccc(C[N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)c1 ZINC000253403364 572285678 /nfs/dbraw/zinc/28/56/78/572285678.db2.gz PSXPQYAZYBKPFO-HMFNMPRKSA-N 2 2 560.739 3.713 40 0 KHABLP COc1ccc(C[N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)cc1 ZINC000253403773 572285936 /nfs/dbraw/zinc/28/59/36/572285936.db2.gz QKPWXBAMRUVUPS-AEJMGKKRSA-N 2 2 560.739 3.713 40 0 KHABLP COc1ccc(C[N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)cc1 ZINC000253403773 572285935 /nfs/dbraw/zinc/28/59/35/572285935.db2.gz QKPWXBAMRUVUPS-AEJMGKKRSA-N 2 2 560.739 3.713 40 0 KHABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)CC1 ZINC000257199980 572306325 /nfs/dbraw/zinc/30/63/25/572306325.db2.gz ABNHXKRAVQPUMJ-MUUNZHRXSA-N 2 2 524.065 3.544 40 0 KHABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)CC1 ZINC000257199980 572306324 /nfs/dbraw/zinc/30/63/24/572306324.db2.gz ABNHXKRAVQPUMJ-MUUNZHRXSA-N 2 2 524.065 3.544 40 0 KHABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)CC1 ZINC000257199981 572306266 /nfs/dbraw/zinc/30/62/66/572306266.db2.gz ABNHXKRAVQPUMJ-NDEPHWFRSA-N 2 2 524.065 3.544 40 0 KHABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)CC1 ZINC000257199981 572306264 /nfs/dbraw/zinc/30/62/64/572306264.db2.gz ABNHXKRAVQPUMJ-NDEPHWFRSA-N 2 2 524.065 3.544 40 0 KHABLP Cc1[nH+]c2cc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)ccc2n1C ZINC000257203575 572306711 /nfs/dbraw/zinc/30/67/11/572306711.db2.gz AQSRSPJMKKBJBT-UHFFFAOYSA-N 2 2 523.703 3.917 40 0 KHABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCO2)CC1 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OCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585271041 1066302316 /nfs/dbraw/zinc/30/23/16/1066302316.db2.gz DFOQGTQZKYNVLK-VWLOTQADSA-N 2 2 505.684 3.977 40 0 KHABLP OCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585271041 1066302298 /nfs/dbraw/zinc/30/22/98/1066302298.db2.gz DFOQGTQZKYNVLK-VWLOTQADSA-N 2 2 505.684 3.977 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271459 1066302625 /nfs/dbraw/zinc/30/26/25/1066302625.db2.gz HXHKZFZHYUPDGE-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271459 1066302609 /nfs/dbraw/zinc/30/26/09/1066302609.db2.gz HXHKZFZHYUPDGE-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271461 1066302688 /nfs/dbraw/zinc/30/26/88/1066302688.db2.gz HXHKZFZHYUPDGE-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585271461 1066302672 /nfs/dbraw/zinc/30/26/72/1066302672.db2.gz HXHKZFZHYUPDGE-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271463 1066301610 /nfs/dbraw/zinc/30/16/10/1066301610.db2.gz HXWHTHJTELBLFX-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271463 1066301596 /nfs/dbraw/zinc/30/15/96/1066301596.db2.gz HXWHTHJTELBLFX-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271467 1066302018 /nfs/dbraw/zinc/30/20/18/1066302018.db2.gz HXWHTHJTELBLFX-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585271467 1066302004 /nfs/dbraw/zinc/30/20/04/1066302004.db2.gz HXWHTHJTELBLFX-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP OCCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271761 1066300769 /nfs/dbraw/zinc/30/07/69/1066300769.db2.gz HFXGFNGGPAVJKS-AREMUKBSSA-N 2 2 517.670 3.751 40 0 KHABLP OCCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271761 1066300752 /nfs/dbraw/zinc/30/07/52/1066300752.db2.gz HFXGFNGGPAVJKS-AREMUKBSSA-N 2 2 517.670 3.751 40 0 KHABLP OCCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271767 1066301178 /nfs/dbraw/zinc/30/11/78/1066301178.db2.gz HFXGFNGGPAVJKS-SANMLTNESA-N 2 2 517.670 3.751 40 0 KHABLP OCCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271767 1066301160 /nfs/dbraw/zinc/30/11/60/1066301160.db2.gz HFXGFNGGPAVJKS-SANMLTNESA-N 2 2 517.670 3.751 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585271804 1066300941 /nfs/dbraw/zinc/30/09/41/1066300941.db2.gz KATFDBOQIYHXKT-PMERELPUSA-N 2 2 554.663 3.537 40 0 KHABLP 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KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585271819 1066300700 /nfs/dbraw/zinc/30/07/00/1066300700.db2.gz KHDGFCZXKDFMCH-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585271819 1066300684 /nfs/dbraw/zinc/30/06/84/1066300684.db2.gz KHDGFCZXKDFMCH-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)cc1OC ZINC000585272173 1066300023 /nfs/dbraw/zinc/30/00/23/1066300023.db2.gz LPHCOMUHNCLMSE-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)cc1OC ZINC000585272173 1066300012 /nfs/dbraw/zinc/30/00/12/1066300012.db2.gz LPHCOMUHNCLMSE-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)cc1OC ZINC000585272175 1066299798 /nfs/dbraw/zinc/29/97/98/1066299798.db2.gz LPHCOMUHNCLMSE-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)cc1OC ZINC000585272175 1066299781 /nfs/dbraw/zinc/29/97/81/1066299781.db2.gz LPHCOMUHNCLMSE-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585272409 1066303904 /nfs/dbraw/zinc/30/39/04/1066303904.db2.gz MXXWAROCRACKRA-AREMUKBSSA-N 2 2 502.011 3.575 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585272409 1066303883 /nfs/dbraw/zinc/30/38/83/1066303883.db2.gz MXXWAROCRACKRA-AREMUKBSSA-N 2 2 502.011 3.575 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585272412 1066302879 /nfs/dbraw/zinc/30/28/79/1066302879.db2.gz MXXWAROCRACKRA-SANMLTNESA-N 2 2 502.011 3.575 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585272412 1066302862 /nfs/dbraw/zinc/30/28/62/1066302862.db2.gz MXXWAROCRACKRA-SANMLTNESA-N 2 2 502.011 3.575 40 0 KHABLP OCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585272807 1066302409 /nfs/dbraw/zinc/30/24/09/1066302409.db2.gz MXNVAVRUNUDZFL-RUZDIDTESA-N 2 2 535.710 3.856 40 0 KHABLP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585272807 1066302393 /nfs/dbraw/zinc/30/23/93/1066302393.db2.gz MXNVAVRUNUDZFL-RUZDIDTESA-N 2 2 535.710 3.856 40 0 KHABLP OCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585272823 1066302076 /nfs/dbraw/zinc/30/20/76/1066302076.db2.gz MXNVAVRUNUDZFL-VWLOTQADSA-N 2 2 535.710 3.856 40 0 KHABLP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585272823 1066302065 /nfs/dbraw/zinc/30/20/65/1066302065.db2.gz MXNVAVRUNUDZFL-VWLOTQADSA-N 2 2 535.710 3.856 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1OC ZINC000585272935 1066306202 /nfs/dbraw/zinc/30/62/02/1066306202.db2.gz PLZHJVXAEWNVSZ-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1OC ZINC000585272935 1066306185 /nfs/dbraw/zinc/30/61/85/1066306185.db2.gz PLZHJVXAEWNVSZ-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1OC ZINC000585272936 1066305640 /nfs/dbraw/zinc/30/56/40/1066305640.db2.gz PLZHJVXAEWNVSZ-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1OC ZINC000585272936 1066305626 /nfs/dbraw/zinc/30/56/26/1066305626.db2.gz PLZHJVXAEWNVSZ-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273142 1066303121 /nfs/dbraw/zinc/30/31/21/1066303121.db2.gz QXQAVEVDBBQWJQ-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273142 1066303100 /nfs/dbraw/zinc/30/31/00/1066303100.db2.gz QXQAVEVDBBQWJQ-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP 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CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)c1 ZINC000585273209 1066303331 /nfs/dbraw/zinc/30/33/31/1066303331.db2.gz BBNPLHARQXDDEA-SSEXGKCCSA-N 2 2 520.674 3.697 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585273479 1066305263 /nfs/dbraw/zinc/30/52/63/1066305263.db2.gz RUKXOWBUBQZTRE-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585273479 1066305241 /nfs/dbraw/zinc/30/52/41/1066305241.db2.gz RUKXOWBUBQZTRE-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585273480 1066305493 /nfs/dbraw/zinc/30/54/93/1066305493.db2.gz RUKXOWBUBQZTRE-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585273480 1066305477 /nfs/dbraw/zinc/30/54/77/1066305477.db2.gz RUKXOWBUBQZTRE-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585273721 1066305335 /nfs/dbraw/zinc/30/53/35/1066305335.db2.gz TZJKRGMVGDWRCK-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585273721 1066305319 /nfs/dbraw/zinc/30/53/19/1066305319.db2.gz TZJKRGMVGDWRCK-HHHXNRCGSA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585273723 1066305818 /nfs/dbraw/zinc/30/58/18/1066305818.db2.gz TZJKRGMVGDWRCK-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585273723 1066305800 /nfs/dbraw/zinc/30/58/00/1066305800.db2.gz TZJKRGMVGDWRCK-MHZLTWQESA-N 2 2 516.038 3.829 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273788 1066305734 /nfs/dbraw/zinc/30/57/34/1066305734.db2.gz UPFIQDJNPVRYEI-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273788 1066305723 /nfs/dbraw/zinc/30/57/23/1066305723.db2.gz UPFIQDJNPVRYEI-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273791 1066306038 /nfs/dbraw/zinc/30/60/38/1066306038.db2.gz UPFIQDJNPVRYEI-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273791 1066306021 /nfs/dbraw/zinc/30/60/21/1066306021.db2.gz UPFIQDJNPVRYEI-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585274043 1066304651 /nfs/dbraw/zinc/30/46/51/1066304651.db2.gz UVERAIMPZCWMJR-AREMUKBSSA-N 2 2 502.011 3.575 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585274043 1066304640 /nfs/dbraw/zinc/30/46/40/1066304640.db2.gz UVERAIMPZCWMJR-AREMUKBSSA-N 2 2 502.011 3.575 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585274044 1066304783 /nfs/dbraw/zinc/30/47/83/1066304783.db2.gz UVERAIMPZCWMJR-SANMLTNESA-N 2 2 502.011 3.575 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585274044 1066304771 /nfs/dbraw/zinc/30/47/71/1066304771.db2.gz UVERAIMPZCWMJR-SANMLTNESA-N 2 2 502.011 3.575 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274169 1066306134 /nfs/dbraw/zinc/30/61/34/1066306134.db2.gz WZXDTNNXOYZFLK-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274169 1066306124 /nfs/dbraw/zinc/30/61/24/1066306124.db2.gz WZXDTNNXOYZFLK-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274170 1066305906 /nfs/dbraw/zinc/30/59/06/1066305906.db2.gz WZXDTNNXOYZFLK-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274170 1066305890 /nfs/dbraw/zinc/30/58/90/1066305890.db2.gz WZXDTNNXOYZFLK-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274197 1066304376 /nfs/dbraw/zinc/30/43/76/1066304376.db2.gz XJKQZIJXYJMBDL-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274197 1066304369 /nfs/dbraw/zinc/30/43/69/1066304369.db2.gz XJKQZIJXYJMBDL-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274198 1066304594 /nfs/dbraw/zinc/30/45/94/1066304594.db2.gz XJKQZIJXYJMBDL-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274198 1066304581 /nfs/dbraw/zinc/30/45/81/1066304581.db2.gz XJKQZIJXYJMBDL-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)ccc1OC ZINC000585274242 1066304328 /nfs/dbraw/zinc/30/43/28/1066304328.db2.gz XWKGDYAGPIKSMG-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)ccc1OC ZINC000585274242 1066304312 /nfs/dbraw/zinc/30/43/12/1066304312.db2.gz XWKGDYAGPIKSMG-MUUNZHRXSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)ccc1OC ZINC000585274244 1066304987 /nfs/dbraw/zinc/30/49/87/1066304987.db2.gz XWKGDYAGPIKSMG-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)ccc1OC ZINC000585274244 1066304968 /nfs/dbraw/zinc/30/49/68/1066304968.db2.gz XWKGDYAGPIKSMG-NDEPHWFRSA-N 2 2 513.610 3.705 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585274246 1066304169 /nfs/dbraw/zinc/30/41/69/1066304169.db2.gz YBZFUFUPGCBKDM-HKBQPEDESA-N 2 2 550.700 3.706 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585274246 1066304155 /nfs/dbraw/zinc/30/41/55/1066304155.db2.gz YBZFUFUPGCBKDM-HKBQPEDESA-N 2 2 550.700 3.706 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585274251 1066304447 /nfs/dbraw/zinc/30/44/47/1066304447.db2.gz YBZFUFUPGCBKDM-WJOKGBTCSA-N 2 2 550.700 3.706 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585274251 1066304430 /nfs/dbraw/zinc/30/44/30/1066304430.db2.gz YBZFUFUPGCBKDM-WJOKGBTCSA-N 2 2 550.700 3.706 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274500 1066304860 /nfs/dbraw/zinc/30/48/60/1066304860.db2.gz ZDGQWDYBEQHXAD-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274500 1066304843 /nfs/dbraw/zinc/30/48/43/1066304843.db2.gz ZDGQWDYBEQHXAD-HHHXNRCGSA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274501 1066304543 /nfs/dbraw/zinc/30/45/43/1066304543.db2.gz ZDGQWDYBEQHXAD-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585274501 1066304527 /nfs/dbraw/zinc/30/45/27/1066304527.db2.gz ZDGQWDYBEQHXAD-MHZLTWQESA-N 2 2 516.038 3.965 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)ccc1OC ZINC000585274554 1066304106 /nfs/dbraw/zinc/30/41/06/1066304106.db2.gz ZVZQIVXBJIFDBP-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)ccc1OC ZINC000585274554 1066304087 /nfs/dbraw/zinc/30/40/87/1066304087.db2.gz ZVZQIVXBJIFDBP-GDLZYMKVSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OC ZINC000585274555 1066304721 /nfs/dbraw/zinc/30/47/21/1066304721.db2.gz ZVZQIVXBJIFDBP-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OC ZINC000585274555 1066304701 /nfs/dbraw/zinc/30/47/01/1066304701.db2.gz ZVZQIVXBJIFDBP-LJAQVGFWSA-N 2 2 509.647 3.874 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCn1cc[nH+]c1 ZINC000585274914 1066303259 /nfs/dbraw/zinc/30/32/59/1066303259.db2.gz RJFWDHYQRKQJSJ-AREMUKBSSA-N 2 2 502.011 3.921 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCn1cc[nH+]c1 ZINC000585274914 1066303241 /nfs/dbraw/zinc/30/32/41/1066303241.db2.gz RJFWDHYQRKQJSJ-AREMUKBSSA-N 2 2 502.011 3.921 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCn1cc[nH+]c1 ZINC000585274915 1066303777 /nfs/dbraw/zinc/30/37/77/1066303777.db2.gz RJFWDHYQRKQJSJ-SANMLTNESA-N 2 2 502.011 3.921 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCn1cc[nH+]c1 ZINC000585274915 1066303759 /nfs/dbraw/zinc/30/37/59/1066303759.db2.gz RJFWDHYQRKQJSJ-SANMLTNESA-N 2 2 502.011 3.921 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279631 1066312104 /nfs/dbraw/zinc/31/21/04/1066312104.db2.gz DVKPRFQTWLWIKK-GDLZYMKVSA-N 2 2 524.637 3.528 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279631 1066312088 /nfs/dbraw/zinc/31/20/88/1066312088.db2.gz DVKPRFQTWLWIKK-GDLZYMKVSA-N 2 2 524.637 3.528 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279637 1066311456 /nfs/dbraw/zinc/31/14/56/1066311456.db2.gz DVKPRFQTWLWIKK-LJAQVGFWSA-N 2 2 524.637 3.528 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279637 1066311439 /nfs/dbraw/zinc/31/14/39/1066311439.db2.gz DVKPRFQTWLWIKK-LJAQVGFWSA-N 2 2 524.637 3.528 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585279927 1066491190 /nfs/dbraw/zinc/49/11/90/1066491190.db2.gz HQEHGNSDISALTD-PMERELPUSA-N 2 2 554.663 3.537 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585279927 1066491185 /nfs/dbraw/zinc/49/11/85/1066491185.db2.gz HQEHGNSDISALTD-PMERELPUSA-N 2 2 554.663 3.537 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585279928 1066311782 /nfs/dbraw/zinc/31/17/82/1066311782.db2.gz HQEHGNSDISALTD-SSEXGKCCSA-N 2 2 554.663 3.537 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585279928 1066311767 /nfs/dbraw/zinc/31/17/67/1066311767.db2.gz HQEHGNSDISALTD-SSEXGKCCSA-N 2 2 554.663 3.537 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)cc1OC ZINC000585280730 1066308061 /nfs/dbraw/zinc/30/80/61/1066308061.db2.gz ACUXZZIGOHFUNH-HKBQPEDESA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)cc1OC ZINC000585280730 1066308044 /nfs/dbraw/zinc/30/80/44/1066308044.db2.gz ACUXZZIGOHFUNH-HKBQPEDESA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1OC ZINC000585280738 1066307959 /nfs/dbraw/zinc/30/79/59/1066307959.db2.gz ACUXZZIGOHFUNH-WJOKGBTCSA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1OC ZINC000585280738 1066307949 /nfs/dbraw/zinc/30/79/49/1066307949.db2.gz ACUXZZIGOHFUNH-WJOKGBTCSA-N 2 2 550.700 3.624 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585280862 1066307182 /nfs/dbraw/zinc/30/71/82/1066307182.db2.gz AZGKOSCEONTROS-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585280862 1066307168 /nfs/dbraw/zinc/30/71/68/1066307168.db2.gz AZGKOSCEONTROS-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585280865 1066306860 /nfs/dbraw/zinc/30/68/60/1066306860.db2.gz AZGKOSCEONTROS-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585280865 1066306844 /nfs/dbraw/zinc/30/68/44/1066306844.db2.gz AZGKOSCEONTROS-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280895 1066307125 /nfs/dbraw/zinc/30/71/25/1066307125.db2.gz BTZQBVXOPAQBTE-GDLZYMKVSA-N 2 2 509.647 3.847 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280895 1066307115 /nfs/dbraw/zinc/30/71/15/1066307115.db2.gz BTZQBVXOPAQBTE-GDLZYMKVSA-N 2 2 509.647 3.847 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280896 1066307844 /nfs/dbraw/zinc/30/78/44/1066307844.db2.gz BTZQBVXOPAQBTE-LJAQVGFWSA-N 2 2 509.647 3.847 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280896 1066307835 /nfs/dbraw/zinc/30/78/35/1066307835.db2.gz BTZQBVXOPAQBTE-LJAQVGFWSA-N 2 2 509.647 3.847 40 0 KHABLP CC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585280989 1066308303 /nfs/dbraw/zinc/30/83/03/1066308303.db2.gz UXHVNSGWRSLEOE-GDLZYMKVSA-N 2 2 524.637 3.699 40 0 KHABLP CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585280989 1066308285 /nfs/dbraw/zinc/30/82/85/1066308285.db2.gz UXHVNSGWRSLEOE-GDLZYMKVSA-N 2 2 524.637 3.699 40 0 KHABLP CC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280990 1066308376 /nfs/dbraw/zinc/30/83/76/1066308376.db2.gz UXHVNSGWRSLEOE-LJAQVGFWSA-N 2 2 524.637 3.699 40 0 KHABLP CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280990 1066308360 /nfs/dbraw/zinc/30/83/60/1066308360.db2.gz UXHVNSGWRSLEOE-LJAQVGFWSA-N 2 2 524.637 3.699 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585281047 1066307668 /nfs/dbraw/zinc/30/76/68/1066307668.db2.gz DNUFKNLMTQXROQ-BDYUSTAISA-N 2 2 516.038 3.563 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585281047 1066307654 /nfs/dbraw/zinc/30/76/54/1066307654.db2.gz DNUFKNLMTQXROQ-BDYUSTAISA-N 2 2 516.038 3.563 40 0 KHABLP CC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281173 1066313315 /nfs/dbraw/zinc/31/33/15/1066313315.db2.gz WZYFEMIINXGQBQ-PMERELPUSA-N 2 2 520.674 3.868 40 0 KHABLP CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281173 1066313301 /nfs/dbraw/zinc/31/33/01/1066313301.db2.gz WZYFEMIINXGQBQ-PMERELPUSA-N 2 2 520.674 3.868 40 0 KHABLP CC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281174 1066313040 /nfs/dbraw/zinc/31/30/40/1066313040.db2.gz WZYFEMIINXGQBQ-SSEXGKCCSA-N 2 2 520.674 3.868 40 0 KHABLP CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281174 1066313023 /nfs/dbraw/zinc/31/30/23/1066313023.db2.gz WZYFEMIINXGQBQ-SSEXGKCCSA-N 2 2 520.674 3.868 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281200 1066312146 /nfs/dbraw/zinc/31/21/46/1066312146.db2.gz GMRSZFNTXBZAJQ-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281200 1066312133 /nfs/dbraw/zinc/31/21/33/1066312133.db2.gz GMRSZFNTXBZAJQ-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281217 1066312367 /nfs/dbraw/zinc/31/23/67/1066312367.db2.gz HEHVJSMVMZNRKT-MUUNZHRXSA-N 2 2 513.610 3.759 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281217 1066312349 /nfs/dbraw/zinc/31/23/49/1066312349.db2.gz HEHVJSMVMZNRKT-MUUNZHRXSA-N 2 2 513.610 3.759 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281218 1066311717 /nfs/dbraw/zinc/31/17/17/1066311717.db2.gz HEHVJSMVMZNRKT-NDEPHWFRSA-N 2 2 513.610 3.759 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281218 1066311704 /nfs/dbraw/zinc/31/17/04/1066311704.db2.gz HEHVJSMVMZNRKT-NDEPHWFRSA-N 2 2 513.610 3.759 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OC ZINC000585281290 1066312880 /nfs/dbraw/zinc/31/28/80/1066312880.db2.gz HSGGOKUFTQBDIY-YTMVLYRLSA-N 2 2 527.637 3.747 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OC ZINC000585281290 1066312867 /nfs/dbraw/zinc/31/28/67/1066312867.db2.gz HSGGOKUFTQBDIY-YTMVLYRLSA-N 2 2 527.637 3.747 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585281369 1066310408 /nfs/dbraw/zinc/31/04/08/1066310408.db2.gz ITQAGMYGINCZHD-XCZPVHLTSA-N 2 2 530.065 3.953 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585281369 1066310390 /nfs/dbraw/zinc/31/03/90/1066310390.db2.gz ITQAGMYGINCZHD-XCZPVHLTSA-N 2 2 530.065 3.953 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585281492 1066310685 /nfs/dbraw/zinc/31/06/85/1066310685.db2.gz KDKFCABKHUUFCG-BDYUSTAISA-N 2 2 516.038 3.563 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585281492 1066310668 /nfs/dbraw/zinc/31/06/68/1066310668.db2.gz KDKFCABKHUUFCG-BDYUSTAISA-N 2 2 516.038 3.563 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281501 1066310512 /nfs/dbraw/zinc/31/05/12/1066310512.db2.gz KJOUHYVGZFQIKX-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281501 1066310498 /nfs/dbraw/zinc/31/04/98/1066310498.db2.gz KJOUHYVGZFQIKX-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281502 1066310083 /nfs/dbraw/zinc/31/00/83/1066310083.db2.gz KJOUHYVGZFQIKX-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585281502 1066310068 /nfs/dbraw/zinc/31/00/68/1066310068.db2.gz KJOUHYVGZFQIKX-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)ccc1OC ZINC000585281534 1066310597 /nfs/dbraw/zinc/31/05/97/1066310597.db2.gz KWYJWFZEZAVHKM-YTMVLYRLSA-N 2 2 527.637 3.747 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)ccc1OC ZINC000585281534 1066310582 /nfs/dbraw/zinc/31/05/82/1066310582.db2.gz KWYJWFZEZAVHKM-YTMVLYRLSA-N 2 2 527.637 3.747 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1 ZINC000585281542 1066311042 /nfs/dbraw/zinc/31/10/42/1066311042.db2.gz LBVSKNPMAWEQBM-BDYUSTAISA-N 2 2 516.038 3.618 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cc[nH+]c1 ZINC000585281542 1066311030 /nfs/dbraw/zinc/31/10/30/1066311030.db2.gz LBVSKNPMAWEQBM-BDYUSTAISA-N 2 2 516.038 3.618 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585281611 1066310321 /nfs/dbraw/zinc/31/03/21/1066310321.db2.gz NBDPCILDLHVJFK-XCZPVHLTSA-N 2 2 530.065 3.872 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585281611 1066310301 /nfs/dbraw/zinc/31/03/01/1066310301.db2.gz NBDPCILDLHVJFK-XCZPVHLTSA-N 2 2 530.065 3.872 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281659 1066309219 /nfs/dbraw/zinc/30/92/19/1066309219.db2.gz ODKLJLKYDNZQIV-GDLZYMKVSA-N 2 2 509.647 3.847 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281659 1066309206 /nfs/dbraw/zinc/30/92/06/1066309206.db2.gz ODKLJLKYDNZQIV-GDLZYMKVSA-N 2 2 509.647 3.847 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281660 1066309572 /nfs/dbraw/zinc/30/95/72/1066309572.db2.gz ODKLJLKYDNZQIV-LJAQVGFWSA-N 2 2 509.647 3.847 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585281660 1066309555 /nfs/dbraw/zinc/30/95/55/1066309555.db2.gz ODKLJLKYDNZQIV-LJAQVGFWSA-N 2 2 509.647 3.847 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585281723 1066309260 /nfs/dbraw/zinc/30/92/60/1066309260.db2.gz QFIFNICOXYLQRM-XCZPVHLTSA-N 2 2 530.065 3.953 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585281723 1066309245 /nfs/dbraw/zinc/30/92/45/1066309245.db2.gz QFIFNICOXYLQRM-XCZPVHLTSA-N 2 2 530.065 3.953 40 0 KHABLP COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281731 1066309688 /nfs/dbraw/zinc/30/96/88/1066309688.db2.gz QKYQJAIVPNSZBW-HKBQPEDESA-N 2 2 550.700 3.760 40 0 KHABLP COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281731 1066309672 /nfs/dbraw/zinc/30/96/72/1066309672.db2.gz QKYQJAIVPNSZBW-HKBQPEDESA-N 2 2 550.700 3.760 40 0 KHABLP COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281732 1066309368 /nfs/dbraw/zinc/30/93/68/1066309368.db2.gz QKYQJAIVPNSZBW-WJOKGBTCSA-N 2 2 550.700 3.760 40 0 KHABLP COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585281732 1066309349 /nfs/dbraw/zinc/30/93/49/1066309349.db2.gz QKYQJAIVPNSZBW-WJOKGBTCSA-N 2 2 550.700 3.760 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585281751 1066309506 /nfs/dbraw/zinc/30/95/06/1066309506.db2.gz QQLXTYPJRAPYFM-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585281751 1066309488 /nfs/dbraw/zinc/30/94/88/1066309488.db2.gz QQLXTYPJRAPYFM-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281757 1066308809 /nfs/dbraw/zinc/30/88/09/1066308809.db2.gz QVTBRJDACMEFEF-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281757 1066308795 /nfs/dbraw/zinc/30/87/95/1066308795.db2.gz QVTBRJDACMEFEF-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281776 1066310149 /nfs/dbraw/zinc/31/01/49/1066310149.db2.gz RIRFWCOTIXJMNP-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281776 1066310130 /nfs/dbraw/zinc/31/01/30/1066310130.db2.gz RIRFWCOTIXJMNP-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281777 1066310833 /nfs/dbraw/zinc/31/08/33/1066310833.db2.gz RIRFWCOTIXJMNP-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585281777 1066310813 /nfs/dbraw/zinc/31/08/13/1066310813.db2.gz RIRFWCOTIXJMNP-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281926 1066309054 /nfs/dbraw/zinc/30/90/54/1066309054.db2.gz UJCZACBCDKRGHA-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281926 1066309027 /nfs/dbraw/zinc/30/90/27/1066309027.db2.gz UJCZACBCDKRGHA-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281927 1066309748 /nfs/dbraw/zinc/30/97/48/1066309748.db2.gz UJCZACBCDKRGHA-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281927 1066309733 /nfs/dbraw/zinc/30/97/33/1066309733.db2.gz UJCZACBCDKRGHA-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000585281936 1066308669 /nfs/dbraw/zinc/30/86/69/1066308669.db2.gz USEOMNNKGQFSMJ-BDYUSTAISA-N 2 2 516.038 3.618 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000585281936 1066308656 /nfs/dbraw/zinc/30/86/56/1066308656.db2.gz USEOMNNKGQFSMJ-BDYUSTAISA-N 2 2 516.038 3.618 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585281945 1066313136 /nfs/dbraw/zinc/31/31/36/1066313136.db2.gz UYJCCAAWZQQMEB-XCZPVHLTSA-N 2 2 530.065 3.872 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585281945 1066313120 /nfs/dbraw/zinc/31/31/20/1066313120.db2.gz UYJCCAAWZQQMEB-XCZPVHLTSA-N 2 2 530.065 3.872 40 0 KHABLP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)c1 ZINC000585281961 1066312665 /nfs/dbraw/zinc/31/26/65/1066312665.db2.gz VQDULFXUTBKRCT-SVBPBHIXSA-N 2 2 500.039 3.999 40 0 KHABLP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)c1 ZINC000585281961 1066312648 /nfs/dbraw/zinc/31/26/48/1066312648.db2.gz VQDULFXUTBKRCT-SVBPBHIXSA-N 2 2 500.039 3.999 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585282148 1066314041 /nfs/dbraw/zinc/31/40/41/1066314041.db2.gz YIRCCBIWODNZRP-BDYUSTAISA-N 2 2 500.039 3.945 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585282148 1066314035 /nfs/dbraw/zinc/31/40/35/1066314035.db2.gz YIRCCBIWODNZRP-BDYUSTAISA-N 2 2 500.039 3.945 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585282175 1066313757 /nfs/dbraw/zinc/31/37/57/1066313757.db2.gz YQAFAXZWKDKNET-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585282175 1066313733 /nfs/dbraw/zinc/31/37/33/1066313733.db2.gz YQAFAXZWKDKNET-SVBPBHIXSA-N 2 2 516.038 3.699 40 0 KHABLP COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282185 1066313916 /nfs/dbraw/zinc/31/39/16/1066313916.db2.gz YZBNRBLTRGMPHS-HKBQPEDESA-N 2 2 550.700 3.760 40 0 KHABLP COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282185 1066313900 /nfs/dbraw/zinc/31/39/00/1066313900.db2.gz YZBNRBLTRGMPHS-HKBQPEDESA-N 2 2 550.700 3.760 40 0 KHABLP COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282186 1066313574 /nfs/dbraw/zinc/31/35/74/1066313574.db2.gz YZBNRBLTRGMPHS-WJOKGBTCSA-N 2 2 550.700 3.760 40 0 KHABLP COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585282186 1066313556 /nfs/dbraw/zinc/31/35/56/1066313556.db2.gz YZBNRBLTRGMPHS-WJOKGBTCSA-N 2 2 550.700 3.760 40 0 KHABLP Cc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585282195 1066313654 /nfs/dbraw/zinc/31/36/54/1066313654.db2.gz ZFSASDCARZSDFI-SVBPBHIXSA-N 2 2 500.039 3.999 40 0 KHABLP Cc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585282195 1066313628 /nfs/dbraw/zinc/31/36/28/1066313628.db2.gz ZFSASDCARZSDFI-SVBPBHIXSA-N 2 2 500.039 3.999 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284064 1066316449 /nfs/dbraw/zinc/31/64/49/1066316449.db2.gz UOQAZOYMDKQOCT-HKBQPEDESA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284064 1066316435 /nfs/dbraw/zinc/31/64/35/1066316435.db2.gz UOQAZOYMDKQOCT-HKBQPEDESA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284067 1066316229 /nfs/dbraw/zinc/31/62/29/1066316229.db2.gz UOQAZOYMDKQOCT-WJOKGBTCSA-N 2 2 550.700 3.624 40 0 KHABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OC ZINC000585284067 1066316210 /nfs/dbraw/zinc/31/62/10/1066316210.db2.gz UOQAZOYMDKQOCT-WJOKGBTCSA-N 2 2 550.700 3.624 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585285000 1066316784 /nfs/dbraw/zinc/31/67/84/1066316784.db2.gz BIXCANSGJODYQW-VMPREFPWSA-N 2 2 509.647 3.581 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585285000 1066316771 /nfs/dbraw/zinc/31/67/71/1066316771.db2.gz BIXCANSGJODYQW-VMPREFPWSA-N 2 2 509.647 3.581 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OC ZINC000585285030 1066317524 /nfs/dbraw/zinc/31/75/24/1066317524.db2.gz BQKLHVMHSKLRRK-FIBWVYCGSA-N 2 2 523.674 3.835 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OC ZINC000585285030 1066317505 /nfs/dbraw/zinc/31/75/05/1066317505.db2.gz BQKLHVMHSKLRRK-FIBWVYCGSA-N 2 2 523.674 3.835 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OC ZINC000585285053 1066317408 /nfs/dbraw/zinc/31/74/08/1066317408.db2.gz BXZLOEBJECANLI-BDYUSTAISA-N 2 2 534.028 3.702 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OC ZINC000585285053 1066317392 /nfs/dbraw/zinc/31/73/92/1066317392.db2.gz BXZLOEBJECANLI-BDYUSTAISA-N 2 2 534.028 3.702 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585285118 1066317258 /nfs/dbraw/zinc/31/72/58/1066317258.db2.gz COANQUYMIYEKBK-YTMVLYRLSA-N 2 2 509.647 3.581 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OCCn1cc[nH+]c1C ZINC000585285118 1066317237 /nfs/dbraw/zinc/31/72/37/1066317237.db2.gz COANQUYMIYEKBK-YTMVLYRLSA-N 2 2 509.647 3.581 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285915 1066315775 /nfs/dbraw/zinc/31/57/75/1066315775.db2.gz FCCIKBOTXLXIAT-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285915 1066315759 /nfs/dbraw/zinc/31/57/59/1066315759.db2.gz FCCIKBOTXLXIAT-MUUNZHRXSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285916 1066315875 /nfs/dbraw/zinc/31/58/75/1066315875.db2.gz FCCIKBOTXLXIAT-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCCOc1cc(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585285916 1066315862 /nfs/dbraw/zinc/31/58/62/1066315862.db2.gz FCCIKBOTXLXIAT-NDEPHWFRSA-N 2 2 531.600 3.844 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OC ZINC000585285938 1066316341 /nfs/dbraw/zinc/31/63/41/1066316341.db2.gz FMQMVAPAGSDDCR-JDXGNMNLSA-N 2 2 523.674 3.835 40 0 KHABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OC ZINC000585285938 1066316328 /nfs/dbraw/zinc/31/63/28/1066316328.db2.gz FMQMVAPAGSDDCR-JDXGNMNLSA-N 2 2 523.674 3.835 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OC ZINC000585286716 1066317064 /nfs/dbraw/zinc/31/70/64/1066317064.db2.gz HYPKSWRYATUYTP-JDXGNMNLSA-N 2 2 523.674 3.917 40 0 KHABLP CCc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OC ZINC000585286716 1066317054 /nfs/dbraw/zinc/31/70/54/1066317054.db2.gz HYPKSWRYATUYTP-JDXGNMNLSA-N 2 2 523.674 3.917 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286754 1066317185 /nfs/dbraw/zinc/31/71/85/1066317185.db2.gz IIQQEKGBRIUQAV-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286754 1066317168 /nfs/dbraw/zinc/31/71/68/1066317168.db2.gz IIQQEKGBRIUQAV-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286757 1066316987 /nfs/dbraw/zinc/31/69/87/1066316987.db2.gz IIQQEKGBRIUQAV-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286757 1066316970 /nfs/dbraw/zinc/31/69/70/1066316970.db2.gz IIQQEKGBRIUQAV-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286881 1066317696 /nfs/dbraw/zinc/31/76/96/1066317696.db2.gz JSPHRSDYAGHHDH-VMPREFPWSA-N 2 2 509.647 3.663 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585286881 1066317677 /nfs/dbraw/zinc/31/76/77/1066317677.db2.gz JSPHRSDYAGHHDH-VMPREFPWSA-N 2 2 509.647 3.663 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OCCCn1cc[nH+]c1 ZINC000585286904 1066316924 /nfs/dbraw/zinc/31/69/24/1066316924.db2.gz KEKRIYNCJIBSKG-UIOOFZCWSA-N 2 2 520.001 3.530 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OCCCn1cc[nH+]c1 ZINC000585286904 1066316903 /nfs/dbraw/zinc/31/69/03/1066316903.db2.gz KEKRIYNCJIBSKG-UIOOFZCWSA-N 2 2 520.001 3.530 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585287245 1066315029 /nfs/dbraw/zinc/31/50/29/1066315029.db2.gz LKIYMTOPIBUBKL-VMPREFPWSA-N 2 2 509.647 3.581 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1cc[nH+]c1C ZINC000585287245 1066315005 /nfs/dbraw/zinc/31/50/05/1066315005.db2.gz LKIYMTOPIBUBKL-VMPREFPWSA-N 2 2 509.647 3.581 40 0 KHABLP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)c1 ZINC000585287284 1066315341 /nfs/dbraw/zinc/31/53/41/1066315341.db2.gz MDGOVIPHQXSISP-UIOOFZCWSA-N 2 2 504.002 3.830 40 0 KHABLP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)c1 ZINC000585287284 1066315325 /nfs/dbraw/zinc/31/53/25/1066315325.db2.gz MDGOVIPHQXSISP-UIOOFZCWSA-N 2 2 504.002 3.830 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287305 1066315561 /nfs/dbraw/zinc/31/55/61/1066315561.db2.gz MJPQAZNQBCZYKI-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287305 1066315544 /nfs/dbraw/zinc/31/55/44/1066315544.db2.gz MJPQAZNQBCZYKI-HHHXNRCGSA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287307 1066314979 /nfs/dbraw/zinc/31/49/79/1066314979.db2.gz MJPQAZNQBCZYKI-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287307 1066314962 /nfs/dbraw/zinc/31/49/62/1066314962.db2.gz MJPQAZNQBCZYKI-MHZLTWQESA-N 2 2 517.573 3.590 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287833 1066314736 /nfs/dbraw/zinc/31/47/36/1066314736.db2.gz SXAIOMUSTZSPNP-VMPREFPWSA-N 2 2 509.647 3.663 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585287833 1066314715 /nfs/dbraw/zinc/31/47/15/1066314715.db2.gz SXAIOMUSTZSPNP-VMPREFPWSA-N 2 2 509.647 3.663 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585288054 1066316056 /nfs/dbraw/zinc/31/60/56/1066316056.db2.gz VABNITHVECCPOQ-UIOOFZCWSA-N 2 2 520.001 3.530 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585288054 1066316038 /nfs/dbraw/zinc/31/60/38/1066316038.db2.gz VABNITHVECCPOQ-UIOOFZCWSA-N 2 2 520.001 3.530 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585288097 1066317890 /nfs/dbraw/zinc/31/78/90/1066317890.db2.gz WEEJTTGDZTXMEE-JDXGNMNLSA-N 2 2 523.674 3.971 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585288097 1066317874 /nfs/dbraw/zinc/31/78/74/1066317874.db2.gz WEEJTTGDZTXMEE-JDXGNMNLSA-N 2 2 523.674 3.971 40 0 KHABLP COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585288158 1066318048 /nfs/dbraw/zinc/31/80/48/1066318048.db2.gz YCQFKBBWYXDIJQ-YTMVLYRLSA-N 2 2 509.647 3.663 40 0 KHABLP COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)ccc1OCCCn1cc[nH+]c1 ZINC000585288158 1066318032 /nfs/dbraw/zinc/31/80/32/1066318032.db2.gz YCQFKBBWYXDIJQ-YTMVLYRLSA-N 2 2 509.647 3.663 40 0 KHABLP COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585288265 1066316281 /nfs/dbraw/zinc/31/62/81/1066316281.db2.gz ZTKCBJCPFZYGQA-SVBPBHIXSA-N 2 2 534.028 3.838 40 0 KHABLP COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585288265 1066316253 /nfs/dbraw/zinc/31/62/53/1066316253.db2.gz ZTKCBJCPFZYGQA-SVBPBHIXSA-N 2 2 534.028 3.838 40 0 KHABLP CCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCOCC5)c(C)c43)CC2)cc1Cn1cc[nH+]c1 ZINC000585292878 1066318211 /nfs/dbraw/zinc/31/82/11/1066318211.db2.gz PJJMLEQCMVPSRS-UHFFFAOYSA-N 2 2 575.739 3.614 40 0 KHABLP CCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N(C)C)c(C)c43)CC2)cc1Cn1cc[nH+]c1 ZINC000585293174 1066318344 /nfs/dbraw/zinc/31/83/44/1066318344.db2.gz DDZAJZGUKYEZSB-UHFFFAOYSA-N 2 2 533.702 3.843 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@@H+](Cc1ccccc1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317808 1066841089 /nfs/dbraw/zinc/84/10/89/1066841089.db2.gz PENBADANLVGWJR-NSOVKSMOSA-N 2 2 530.713 3.704 40 0 KHABLP O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@H+](Cc1ccccc1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317808 1066841082 /nfs/dbraw/zinc/84/10/82/1066841082.db2.gz PENBADANLVGWJR-NSOVKSMOSA-N 2 2 530.713 3.704 40 0 KHABLP COc1cccc(C[N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)c1 ZINC000958317821 1066841361 /nfs/dbraw/zinc/84/13/61/1066841361.db2.gz PSXPQYAZYBKPFO-NSOVKSMOSA-N 2 2 560.739 3.713 40 0 KHABLP COc1cccc(C[N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)c1 ZINC000958317821 1066841352 /nfs/dbraw/zinc/84/13/52/1066841352.db2.gz PSXPQYAZYBKPFO-NSOVKSMOSA-N 2 2 560.739 3.713 40 0 KHABLP COc1ccc(C[N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)cc1 ZINC000958317828 1066841273 /nfs/dbraw/zinc/84/12/73/1066841273.db2.gz QKPWXBAMRUVUPS-NSOVKSMOSA-N 2 2 560.739 3.713 40 0 KHABLP COc1ccc(C[N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)cc1 ZINC000958317828 1066841262 /nfs/dbraw/zinc/84/12/62/1066841262.db2.gz QKPWXBAMRUVUPS-NSOVKSMOSA-N 2 2 560.739 3.713 40 0 KHABLP