smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)c4ccc(Cl)cc4)CC3(C)C)C2)CC1 ZINC000253403866 291340046 /nfs/dbraw/zinc/34/00/46/291340046.db2.gz QPFWVIJWJUOGSK-NRFANRHFSA-N 0 3 432.996 2.572 40 0 biogenic,in-vitro IFABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)CN(C)C(=O)C1 ZINC000096113436 291344474 /nfs/dbraw/zinc/34/44/74/291344474.db2.gz NIWMGOMSFKOELY-SJLPKXTDSA-N 0 3 429.483 2.575 40 0 biogenic,in-vitro IFABHN COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 ZINC000030878990 291347601 /nfs/dbraw/zinc/34/76/01/291347601.db2.gz OFNDFAYCMWWBBO-SSPYTLHUSA-N 0 3 439.556 2.755 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012163038 519545886 /nfs/dbraw/zinc/54/58/86/519545886.db2.gz JHSCHRZCALCHAG-XZOYJPPVSA-N 0 3 428.577 2.573 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801659 521092639 /nfs/dbraw/zinc/09/26/39/521092639.db2.gz YLQHYDSOFYPQGU-PMACEKPBSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637091 521281351 /nfs/dbraw/zinc/28/13/51/521281351.db2.gz MOVQWURCHKZERE-UXHICEINSA-N 0 3 440.931 2.868 40 0 IFABHN CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000020463985 522966490 /nfs/dbraw/zinc/96/64/90/522966490.db2.gz PZUVAWXREFBIIX-KUDLYRENSA-N 0 3 445.563 2.866 40 0 biogenic,in-vitro IFABHN N=C(N)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=N)N)cc3)cc2)cc1 ZINC000004707217 556007265 /nfs/dbraw/zinc/00/72/65/556007265.db2.gz YZUBZTSXZYJCGN-UHFFFAOYSA-N 0 3 430.472 2.802 40 0 IFABHN COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1cc(C)ccc1C ZINC000008653649 556196886 /nfs/dbraw/zinc/19/68/86/556196886.db2.gz BELSWYSWNHPMHA-AWEZNQCLSA-N 0 3 441.871 2.733 40 0 IFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)cc(OC)c3)cc2)CC1 ZINC000032125182 556534323 /nfs/dbraw/zinc/53/43/23/556534323.db2.gz BSKLWQCMPNBVAT-UHFFFAOYSA-N 0 3 428.558 2.973 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1C(=O)N1CCCC1 ZINC000013669189 556549713 /nfs/dbraw/zinc/54/97/13/556549713.db2.gz YPCQMYWAASIUQE-HDICACEKSA-N 0 3 437.606 2.578 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1C(=O)N1CCCC1 ZINC000013669187 556549776 /nfs/dbraw/zinc/54/97/76/556549776.db2.gz YPCQMYWAASIUQE-QZTJIDSGSA-N 0 3 437.606 2.578 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCCCCC1 ZINC000013671246 556552075 /nfs/dbraw/zinc/55/20/75/556552075.db2.gz AAMSYUFHDNGKAF-UHFFFAOYSA-N 0 3 437.606 2.866 40 0 IFABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cn(C)nc3C)CC2)on1 ZINC000019123272 556702136 /nfs/dbraw/zinc/70/21/36/556702136.db2.gz CQESGJUTDUHLAB-UHFFFAOYSA-N 0 3 437.548 2.698 40 0 IFABHN Cc1cccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257248507 556711432 /nfs/dbraw/zinc/71/14/32/556711432.db2.gz JDYLZCCZLCWSPX-GNKBHMEESA-N 0 3 436.600 2.609 40 0 IFABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019345593 556742688 /nfs/dbraw/zinc/74/26/88/556742688.db2.gz MEZAQIZJHKMUSI-UXHICEINSA-N 0 3 427.497 2.938 40 0 IFABHN O=C(NC1CCC(O)CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372461 556748801 /nfs/dbraw/zinc/74/88/01/556748801.db2.gz HNPCJMABFYQJIH-BBITVKMKSA-N 0 3 449.599 2.712 40 0 IFABHN NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019372622 556749173 /nfs/dbraw/zinc/74/91/73/556749173.db2.gz NOWGDDHCSSNEKA-WNCULLNHSA-N 0 3 445.563 2.658 40 0 IFABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448433 556758036 /nfs/dbraw/zinc/75/80/36/556758036.db2.gz RYEQZHLLQCVYJY-NRFANRHFSA-N 0 3 442.585 2.551 40 0 IFABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448433 556758037 /nfs/dbraw/zinc/75/80/37/556758037.db2.gz RYEQZHLLQCVYJY-NRFANRHFSA-N 0 3 442.585 2.551 40 0 IFABHN COc1ccc(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CCN(C(C)C)C4)CC2)cc1 ZINC000019448474 556758104 /nfs/dbraw/zinc/75/81/04/556758104.db2.gz HRHFGDRLNRZAPA-UHFFFAOYSA-N 0 3 438.572 2.884 40 0 IFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450076 556761016 /nfs/dbraw/zinc/76/10/16/556761016.db2.gz NWAGDJBAQLHBTA-OALUTQOASA-N 0 3 437.544 2.546 40 0 IFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019499386 556771579 /nfs/dbraw/zinc/77/15/79/556771579.db2.gz KEVVMLYFPQQZKR-IIBYNOLFSA-N 0 3 440.544 2.742 40 0 IFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019499386 556771580 /nfs/dbraw/zinc/77/15/80/556771580.db2.gz KEVVMLYFPQQZKR-IIBYNOLFSA-N 0 3 440.544 2.742 40 0 IFABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)cc1OC ZINC000019560768 556802397 /nfs/dbraw/zinc/80/23/97/556802397.db2.gz PAVYROQWYMCUTF-NWMVZANLSA-N 0 3 429.517 2.631 40 0 IFABHN CN1CCC(O)(Cn2nc(-c3cccnc3)c3ccc(NC(=O)[C@H]4CCCO4)cc32)CC1 ZINC000019588053 556824074 /nfs/dbraw/zinc/82/40/74/556824074.db2.gz JDAKIDFCGRJSJG-OAQYLSRUSA-N 0 3 435.528 2.673 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@H+](Cc4ccsc4)C3)cc(=O)[n-]2)CC1 ZINC000019593108 556829521 /nfs/dbraw/zinc/82/95/21/556829521.db2.gz PETYYABMWKJZPP-IBGZPJMESA-N 0 3 444.601 2.954 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(=O)[n-]2)CC1 ZINC000019593108 556829523 /nfs/dbraw/zinc/82/95/23/556829523.db2.gz PETYYABMWKJZPP-IBGZPJMESA-N 0 3 444.601 2.954 40 0 IFABHN CNc1nc([C@@H]2CCCN(CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1CNCC2 ZINC000019710473 556873484 /nfs/dbraw/zinc/87/34/84/556873484.db2.gz LSPCYEBZLBWHDF-HXUWFJFHSA-N 0 3 436.604 2.781 40 0 IFABHN CCN(CC)CC(=O)N1CCC[C@H](c2nc3c(c(C)n2)CC(=O)N3CCc2ccccc2)C1 ZINC000019743858 556888914 /nfs/dbraw/zinc/88/89/14/556888914.db2.gz BIOMRRPKHNDBIL-NRFANRHFSA-N 0 3 449.599 2.965 40 0 IFABHN C[C@H]1CCCN(CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756464 556900303 /nfs/dbraw/zinc/90/03/03/556900303.db2.gz VIJHPQNKTSARFB-INIZCTEOSA-N 0 3 444.605 2.642 40 0 IFABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCO2 ZINC000019819174 556922027 /nfs/dbraw/zinc/92/20/27/556922027.db2.gz IHVLPRVSDFFIDL-INIZCTEOSA-N 0 3 426.400 2.993 40 0 IFABHN CCOc1ccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1OC ZINC000072392592 556963578 /nfs/dbraw/zinc/96/35/78/556963578.db2.gz LYMXBALDCMMZHD-PRCFCKQXSA-N 0 3 429.517 2.631 40 0 IFABHN COc1cccc2ccc(CN3C[C@@H]4CC[C@@](O)(c5cnc(OC)nc5OC)[C@@H]4C3)nc21 ZINC000072392612 556963622 /nfs/dbraw/zinc/96/36/22/556963622.db2.gz VTCKGHSLEQDNNX-LSRZYVKLSA-N 0 3 436.512 2.780 40 0 IFABHN O=C(c1cnccn1)N1CCc2nc(C3CC[NH+](CC4CCCCC4)CC3)[n-]c(=O)c2C1 ZINC000072399013 556971069 /nfs/dbraw/zinc/97/10/69/556971069.db2.gz XSPKEZSGWPEXIT-UHFFFAOYSA-N 0 3 436.560 2.518 40 0 IFABHN CS(=O)(=O)n1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096037404 557164819 /nfs/dbraw/zinc/16/48/19/557164819.db2.gz CFUMLUVYWKACTB-UHFFFAOYSA-N 0 3 428.558 2.639 40 0 IFABHN Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)c1 ZINC000096145916 557176059 /nfs/dbraw/zinc/17/60/59/557176059.db2.gz WAFCDMAVHPILJJ-VXKWHMMOSA-N 0 3 443.613 2.973 40 0 IFABHN COc1cccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C(C)=O)c1 ZINC000096263287 557190907 /nfs/dbraw/zinc/19/09/07/557190907.db2.gz WIBOOIYKBRETOZ-UHFFFAOYSA-N 0 3 434.544 2.646 40 0 IFABHN CC(=O)[C@@H](Cc1cccc2ccccc21)C(=O)[N-]C(=[NH2+])N1CCN(C(=O)c2ccco2)CC1 ZINC000009926585 557194211 /nfs/dbraw/zinc/19/42/11/557194211.db2.gz AXHLVHUROCDFJT-OAQYLSRUSA-N 0 3 446.507 2.689 40 0 IFABHN CN(C)c1ncncc1N1CC[C@@](O)(CN(C)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000585269589 557212904 /nfs/dbraw/zinc/21/29/04/557212904.db2.gz AEIBEZOKWZTFCX-RUZDIDTESA-N 0 3 448.571 2.590 40 0 IFABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585270342 557214029 /nfs/dbraw/zinc/21/40/29/557214029.db2.gz BTIVWPVYYGJHLI-RUZDIDTESA-N 0 3 426.557 2.804 40 0 IFABHN CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585283037 557222313 /nfs/dbraw/zinc/22/23/13/557222313.db2.gz OVMBHSYFBNEJQG-GOTSBHOMSA-N 0 3 434.964 2.657 40 0 IFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284096 557223478 /nfs/dbraw/zinc/22/34/78/557223478.db2.gz UZLOEGJOFHGRKI-QFIPXVFZSA-N 0 3 426.504 2.588 40 0 IFABHN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NC2CCN(C)CC2)S1(=O)=O ZINC000219186607 557230313 /nfs/dbraw/zinc/23/03/13/557230313.db2.gz NSMTWGKIISLORO-UHFFFAOYSA-N 0 3 425.554 2.826 40 0 IFABHN CCCCN(C)CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 ZINC000002496491 557243185 /nfs/dbraw/zinc/24/31/85/557243185.db2.gz WNVZBVPMGIRRAQ-UHFFFAOYSA-N 0 3 446.411 2.758 40 0 IFABHN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928958 557277240 /nfs/dbraw/zinc/27/72/40/557277240.db2.gz SANLMTRHAYBMEQ-DHIUTWEWSA-N 0 3 440.592 2.900 40 0 IFABHN CCOc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000113936919 557379457 /nfs/dbraw/zinc/37/94/57/557379457.db2.gz QKEIZPFSWCKPNU-UHFFFAOYSA-N 0 3 449.548 2.630 40 0 IFABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 ZINC000223173165 557441472 /nfs/dbraw/zinc/44/14/72/557441472.db2.gz XKPIDEDKUFHSEO-PKTZIBPZSA-N 0 3 448.596 2.962 40 0 IFABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1N1CCCC1=O ZINC000224784688 557651157 /nfs/dbraw/zinc/65/11/57/557651157.db2.gz YMDNRSIRIBNWQH-UHFFFAOYSA-N 0 3 443.569 2.896 40 0 IFABHN CN(c1ccc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000225251400 557705249 /nfs/dbraw/zinc/70/52/49/557705249.db2.gz MNOBGJYVNMCBQN-UHFFFAOYSA-N 0 3 447.557 2.573 40 0 IFABHN COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCc4nccn4C)cc3)C[C@H]2O)cc1 ZINC000585269945 568616812 /nfs/dbraw/zinc/61/68/12/568616812.db2.gz QVYKWPFURRAIQN-DNQXCXABSA-N 0 3 436.556 2.685 40 0 IFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000585271000 568617626 /nfs/dbraw/zinc/61/76/26/568617626.db2.gz CUBAYHCORYHCBZ-JOCHJYFZSA-N 0 3 444.572 2.668 40 0 IFABHN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)c3ccccc3CN3CCCC3)CC2)n1 ZINC000257222587 568675451 /nfs/dbraw/zinc/67/54/51/568675451.db2.gz DTXHJEIOWWQRES-UHFFFAOYSA-N 0 3 435.572 2.934 40 0 IFABHN CN(C(=O)C1CCN(C)CC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257244430 568685885 /nfs/dbraw/zinc/68/58/85/568685885.db2.gz ILHBABQOUJIACC-XPFUAVQFSA-N 0 3 444.616 2.784 40 0 IFABHN Cc1ncccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257248536 568687864 /nfs/dbraw/zinc/68/78/64/568687864.db2.gz JECARZMTTOCHFT-GNKBHMEESA-N 0 3 436.600 2.609 40 0 IFABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257311842 568716356 /nfs/dbraw/zinc/71/63/56/568716356.db2.gz ULFVORPZRBQULU-GOSISDBHSA-N 0 3 446.573 2.899 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4OC)C[C@H]2C3)cc1 ZINC000306125783 568764031 /nfs/dbraw/zinc/76/40/31/568764031.db2.gz DCDCUXJHAJFNOC-QZTJIDSGSA-N 0 3 433.512 2.852 40 0 IFABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126544 568764441 /nfs/dbraw/zinc/76/44/41/568764441.db2.gz DYTMTPNGONNGEC-ZJSXRUAMSA-N 0 3 433.560 2.611 40 0 IFABHN O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3cccc4cccnc43)C2)O1)c1cccnc1 ZINC000306128228 568764941 /nfs/dbraw/zinc/76/49/41/568764941.db2.gz GURWNRFTFJVEDT-RCZVLFRGSA-N 0 3 432.524 2.810 40 0 IFABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128779 568765359 /nfs/dbraw/zinc/76/53/59/568765359.db2.gz HKGAYZMTQAKJJD-QPPBQGQZSA-N 0 3 433.560 2.611 40 0 IFABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128780 568765500 /nfs/dbraw/zinc/76/55/00/568765500.db2.gz HKGAYZMTQAKJJD-URXFXBBRSA-N 0 3 433.560 2.611 40 0 IFABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128781 568765538 /nfs/dbraw/zinc/76/55/38/568765538.db2.gz HKGAYZMTQAKJJD-XUZZJYLKSA-N 0 3 433.560 2.611 40 0 IFABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134889 568768635 /nfs/dbraw/zinc/76/86/35/568768635.db2.gz OAMZMLMXGOEXAZ-RSXGOPAZSA-N 0 3 444.535 2.882 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccccc2Cl)C1 ZINC000306134799 568768741 /nfs/dbraw/zinc/76/87/41/568768741.db2.gz NYJPJCDXBMHFRT-OAQYLSRUSA-N 0 3 428.945 2.716 40 0 IFABHN Cn1nccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306138398 568770455 /nfs/dbraw/zinc/77/04/55/568770455.db2.gz RWOVEYVEWGMJAN-UHFFFAOYSA-N 0 3 446.555 2.903 40 0 IFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138891 568770853 /nfs/dbraw/zinc/77/08/53/568770853.db2.gz SKGZTOYPPFTCHU-AHWVRZQESA-N 0 3 444.535 2.882 40 0 IFABHN O=C(c1ccco1)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306140264 568771398 /nfs/dbraw/zinc/77/13/98/568771398.db2.gz UOKCHRHAQDSHHS-UHFFFAOYSA-N 0 3 444.535 2.873 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 ZINC000306139901 568771566 /nfs/dbraw/zinc/77/15/66/568771566.db2.gz UDPWPLOCSALNGT-ROUUACIJSA-N 0 3 435.532 2.621 40 0 IFABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142571 568772803 /nfs/dbraw/zinc/77/28/03/568772803.db2.gz XDNHAUNNAALRLY-NOZRDPDXSA-N 0 3 429.524 2.577 40 0 IFABHN CCc1ccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)cc1 ZINC000306145113 568774179 /nfs/dbraw/zinc/77/41/79/568774179.db2.gz ZYNOJADZCLIMKC-VWLOTQADSA-N 0 3 438.572 2.723 40 0 IFABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000328961081 568807824 /nfs/dbraw/zinc/80/78/24/568807824.db2.gz BBHLTLZIJMRFGG-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CN(C)CCNc1nc(Nc2ccc(I)cc2F)cc(C2CC2)n1 ZINC000329034393 568809837 /nfs/dbraw/zinc/80/98/37/568809837.db2.gz QZCRBGXQMANRNG-UHFFFAOYSA-N 0 3 441.292 2.659 40 0 IFABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329030833 568809903 /nfs/dbraw/zinc/80/99/03/568809903.db2.gz QHDCWJCBUFFPGX-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN O=S1(=O)C[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)[C@H](O)C1 ZINC000575422305 568863738 /nfs/dbraw/zinc/86/37/38/568863738.db2.gz UUFDUFHSMBIELB-VQTJNVASSA-N 0 3 443.396 2.743 40 0 IFABHN Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 ZINC000019235129 569226128 /nfs/dbraw/zinc/22/61/28/569226128.db2.gz JJZWQJXLFLTGNE-NTKDMRAZSA-N 0 3 443.613 2.951 40 0 IFABHN CCOc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO ZINC000019694965 569229347 /nfs/dbraw/zinc/22/93/47/569229347.db2.gz SYIZSTYPHYJGSC-SFHVURJKSA-N 0 3 434.544 2.880 40 0 IFABHN CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699398 569230506 /nfs/dbraw/zinc/23/05/06/569230506.db2.gz QAEBTFYVTSLKBV-FQEVSTJZSA-N 0 3 426.561 2.610 40 0 IFABHN CC(C)(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699862 569230881 /nfs/dbraw/zinc/23/08/81/569230881.db2.gz RJJUYDNHVAILQZ-LJQANCHMSA-N 0 3 426.561 2.610 40 0 IFABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 ZINC000008254462 291347581 /nfs/dbraw/zinc/34/75/81/291347581.db2.gz DIJYHFXIWAVBTQ-YHYVQYDKSA-N 0 3 446.555 2.563 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012162988 519545971 /nfs/dbraw/zinc/54/59/71/519545971.db2.gz FCRIDGYCOYMMEJ-WXVUKLJWSA-N 0 3 428.577 2.573 40 0 IFABHN CCOc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000012275595 520696003 /nfs/dbraw/zinc/69/60/03/520696003.db2.gz DNIKQCLYTOTKRA-GOSISDBHSA-N 0 3 425.533 2.769 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801462 521279833 /nfs/dbraw/zinc/27/98/33/521279833.db2.gz RTQZSXIMYZPWRP-NHCUHLMSSA-N 0 3 438.503 2.663 40 0 IFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013647024 556544286 /nfs/dbraw/zinc/54/42/86/556544286.db2.gz GGUARDSGKFHZBB-GOSISDBHSA-N 0 3 437.606 2.864 40 0 IFABHN CN(C)CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000013670531 556551364 /nfs/dbraw/zinc/55/13/64/556551364.db2.gz SVQMNVZXIUGDSF-UHFFFAOYSA-N 0 3 430.357 2.867 40 0 IFABHN C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000072394874 556609793 /nfs/dbraw/zinc/60/97/93/556609793.db2.gz WXUNKRPLHVKSKK-PVSGBFIBSA-N 0 3 435.568 2.721 40 0 IFABHN Cc1ccc(NC(=O)CC2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964049 556631349 /nfs/dbraw/zinc/63/13/49/556631349.db2.gz TXILNSCMLIJAFW-QFIPXVFZSA-N 0 3 447.539 2.984 40 0 IFABHN Cc1ccc(NC(=O)CC2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964048 556631386 /nfs/dbraw/zinc/63/13/86/556631386.db2.gz TXILNSCMLIJAFW-JOCHJYFZSA-N 0 3 447.539 2.984 40 0 IFABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1 ZINC000019123296 556702108 /nfs/dbraw/zinc/70/21/08/556702108.db2.gz PWRLTCRBWIIYEL-UHFFFAOYSA-N 0 3 437.548 2.698 40 0 IFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCN2CCCC2=O)cc1 ZINC000257217398 556703010 /nfs/dbraw/zinc/70/30/10/556703010.db2.gz CYTQOJHEAPGAGI-NRFANRHFSA-N 0 3 442.556 2.958 40 0 IFABHN Cc1cccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257244930 556710719 /nfs/dbraw/zinc/71/07/19/556710719.db2.gz INJVDKFUVHQSQH-FXSPECFOSA-N 0 3 436.600 2.609 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000019234499 556718858 /nfs/dbraw/zinc/71/88/58/556718858.db2.gz PEZAJXVMPSXLTA-MBSDFSHPSA-N 0 3 444.597 2.723 40 0 IFABHN Cc1cccc(CN2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236157 556720714 /nfs/dbraw/zinc/72/07/14/556720714.db2.gz WGVJQMHFKQDVPD-QGZVFWFLSA-N 0 3 447.514 2.800 40 0 IFABHN Cn1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)cn1 ZINC000019290729 556730887 /nfs/dbraw/zinc/73/08/87/556730887.db2.gz OYFFLFWDZKQASR-SFTDATJTSA-N 0 3 431.544 2.665 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342764 556740785 /nfs/dbraw/zinc/74/07/85/556740785.db2.gz PIJHWPCLTKYWFK-QGZVFWFLSA-N 0 3 440.569 2.556 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342764 556740789 /nfs/dbraw/zinc/74/07/89/556740789.db2.gz PIJHWPCLTKYWFK-QGZVFWFLSA-N 0 3 440.569 2.556 40 0 IFABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448435 556757977 /nfs/dbraw/zinc/75/79/77/556757977.db2.gz RYEQZHLLQCVYJY-OAQYLSRUSA-N 0 3 442.585 2.551 40 0 IFABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448435 556757978 /nfs/dbraw/zinc/75/79/78/556757978.db2.gz RYEQZHLLQCVYJY-OAQYLSRUSA-N 0 3 442.585 2.551 40 0 IFABHN CC(C)N1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448419 556758001 /nfs/dbraw/zinc/75/80/01/556758001.db2.gz XMHAIBGUFZOSGF-GOSISDBHSA-N 0 3 438.500 2.753 40 0 IFABHN CC(C)N1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448417 556758095 /nfs/dbraw/zinc/75/80/95/556758095.db2.gz XMHAIBGUFZOSGF-SFHVURJKSA-N 0 3 438.500 2.753 40 0 IFABHN C[NH+]1CCC(c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000019588234 556824021 /nfs/dbraw/zinc/82/40/21/556824021.db2.gz DARUVBWBTFFIOW-INIZCTEOSA-N 0 3 434.537 2.699 40 0 IFABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccccc2-n2cccn2)C3)c(OC)n1 ZINC000019594755 556830430 /nfs/dbraw/zinc/83/04/30/556830430.db2.gz OVHOSNHUEIHXQL-QRQCMCJISA-N 0 3 435.528 2.799 40 0 IFABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)Oc1ccc(OC)cc1)C2 ZINC000019707466 556867268 /nfs/dbraw/zinc/86/72/68/556867268.db2.gz XZHNDUOVLRGRAK-GOSISDBHSA-N 0 3 425.533 2.694 40 0 IFABHN CNc1nc([C@H]2CCCN(CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1CNCC2 ZINC000019710474 556873495 /nfs/dbraw/zinc/87/34/95/556873495.db2.gz LSPCYEBZLBWHDF-FQEVSTJZSA-N 0 3 436.604 2.781 40 0 IFABHN Cn1c(=O)c2ccc([C@H]3CCCN(Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743046 556887075 /nfs/dbraw/zinc/88/70/75/556887075.db2.gz KKWJXEKVPQYNMS-NRFANRHFSA-N 0 3 441.535 2.918 40 0 IFABHN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000019743664 556888527 /nfs/dbraw/zinc/88/85/27/556888527.db2.gz LOXYORZJMBNGNT-UHFFFAOYSA-N 0 3 425.508 2.819 40 0 IFABHN COc1cc(C)c(CN2C[C@H](C(=O)N(C)C)[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1C ZINC000072334361 556906932 /nfs/dbraw/zinc/90/69/32/556906932.db2.gz JAGBRLFANVIKDB-GJZUVCINSA-N 0 3 435.568 2.947 40 0 IFABHN COc1ccc2c(c1)C(=O)N[C@@]1(CN(Cc3ccccc3)C[C@H]1C(=O)NCC1CC1)CC2 ZINC000072334435 556907130 /nfs/dbraw/zinc/90/71/30/556907130.db2.gz YFKJBFPQWOMPJK-JYFHCDHNSA-N 0 3 433.552 2.768 40 0 IFABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763980 556908517 /nfs/dbraw/zinc/90/85/17/556908517.db2.gz LMKNDVNEYGJGLF-UHFFFAOYSA-N 0 3 425.508 2.978 40 0 IFABHN O=C(c1cccs1)N1CCc2nc(C3CC[NH+](Cc4ccncc4)CC3)[n-]c(=O)c2C1 ZINC000072398985 556971211 /nfs/dbraw/zinc/97/12/11/556971211.db2.gz VNCXHIWPWXJSRB-UHFFFAOYSA-N 0 3 435.553 2.805 40 0 IFABHN Cc1ccc(C(=O)N2CCc3nc(C4CC[NH+](C5CCOCC5)CC4)[n-]c(=O)c3C2)s1 ZINC000072398888 556971220 /nfs/dbraw/zinc/97/12/20/556971220.db2.gz LMMPTEOHZZGWGZ-UHFFFAOYSA-N 0 3 442.585 2.697 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000072399219 556971866 /nfs/dbraw/zinc/97/18/66/556971866.db2.gz ICAKSSRTVNGUBO-SFHVURJKSA-N 0 3 444.601 2.954 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000072399219 556971868 /nfs/dbraw/zinc/97/18/68/556971868.db2.gz ICAKSSRTVNGUBO-SFHVURJKSA-N 0 3 444.601 2.954 40 0 IFABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000096143574 557170453 /nfs/dbraw/zinc/17/04/53/557170453.db2.gz XVNRQVIFNPTDMX-LEWJYISDSA-N 0 3 438.959 2.930 40 0 IFABHN Cc1cc(CN2CCC3(CC2)O[C@@H](C(=O)NCc2ccccn2)Cn2ccnc23)oc1C ZINC000096243863 557188308 /nfs/dbraw/zinc/18/83/08/557188308.db2.gz GGMRXXFOSIDNAR-OAQYLSRUSA-N 0 3 435.528 2.694 40 0 IFABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096262305 557189710 /nfs/dbraw/zinc/18/97/10/557189710.db2.gz RSAUQOBNBMCHDA-XZOQPEGZSA-N 0 3 448.567 2.675 40 0 IFABHN CC(=O)[C@H](Cc1cccc2ccccc21)C(=O)[N-]C(=[NH2+])N1CCN(C(=O)c2ccco2)CC1 ZINC000009926586 557194127 /nfs/dbraw/zinc/19/41/27/557194127.db2.gz AXHLVHUROCDFJT-NRFANRHFSA-N 0 3 446.507 2.689 40 0 IFABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000585269698 557213698 /nfs/dbraw/zinc/21/36/98/557213698.db2.gz HZIQAKAWJKLKPE-HXUWFJFHSA-N 0 3 428.529 2.568 40 0 IFABHN Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 ZINC000585282479 557221618 /nfs/dbraw/zinc/22/16/18/557221618.db2.gz DTBMGNPCTUBIKV-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585283035 557222376 /nfs/dbraw/zinc/22/23/76/557222376.db2.gz OUZKJUNZULNIOM-QHCPKHFHSA-N 0 3 440.531 2.834 40 0 IFABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585283127 557222491 /nfs/dbraw/zinc/22/24/91/557222491.db2.gz CDWUVPMMKFEUEZ-RBBKRZOGSA-N 0 3 436.474 2.752 40 0 IFABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585290216 557227191 /nfs/dbraw/zinc/22/71/91/557227191.db2.gz OTDBVSPNRWIPSC-NOZRDPDXSA-N 0 3 442.987 2.771 40 0 IFABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287598 557227605 /nfs/dbraw/zinc/22/76/05/557227605.db2.gz PKNJSJAEQBISCO-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC000585294125 557233993 /nfs/dbraw/zinc/23/39/93/557233993.db2.gz PNAKALFSMITXST-UHFFFAOYSA-N 0 3 427.545 2.871 40 0 IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382600 557237065 /nfs/dbraw/zinc/23/70/65/557237065.db2.gz UFMSBXOZQWPMFX-MOUTVQLLSA-N 0 3 437.515 2.885 40 0 biogenic,in-vitro IFABHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000220377569 557293697 /nfs/dbraw/zinc/29/36/97/557293697.db2.gz ABPOHEHMLLYUHK-LLVKDONJSA-N 0 3 441.903 2.724 40 0 IFABHN Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000013565236 557342100 /nfs/dbraw/zinc/34/21/00/557342100.db2.gz FTGCERLTTBCLLZ-MRXNPFEDSA-N 0 3 429.546 2.709 40 0 IFABHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000113944725 557380430 /nfs/dbraw/zinc/38/04/30/557380430.db2.gz LEXWEJNCEOYAPD-OAHLLOKOSA-N 0 3 448.416 2.746 40 0 IFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000017095016 557485239 /nfs/dbraw/zinc/48/52/39/557485239.db2.gz VELIIEOACMNREB-UHFFFAOYSA-N 0 3 426.542 2.727 40 0 IFABHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1NC(C)=O ZINC000223788487 557513404 /nfs/dbraw/zinc/51/34/04/557513404.db2.gz LWOXNQMYNVBQHE-UHFFFAOYSA-N 0 3 433.530 2.927 40 0 IFABHN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223864951 557522361 /nfs/dbraw/zinc/52/23/61/557522361.db2.gz VYZPYKFHAQWOLP-UHFFFAOYSA-N 0 3 432.542 2.733 40 0 IFABHN Cc1cc(C)cc(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1 ZINC000585287626 568618847 /nfs/dbraw/zinc/61/88/47/568618847.db2.gz PREYIOIFADIZPH-DQEYMECFSA-N 0 3 428.573 2.621 40 0 IFABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585285921 568618953 /nfs/dbraw/zinc/61/89/53/568618953.db2.gz FFGVLQNQJHQNGL-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585287904 568619423 /nfs/dbraw/zinc/61/94/23/568619423.db2.gz USZSJEITCZIKIP-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN CN([C@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O ZINC000260894930 568628282 /nfs/dbraw/zinc/62/82/82/568628282.db2.gz GNWMBEQZVPOVCF-QFIPXVFZSA-N 0 3 429.586 2.921 40 0 IFABHN Cn1c(CNC(=O)CN2CCNC[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000257207545 568668531 /nfs/dbraw/zinc/66/85/31/568668531.db2.gz BIFWUNCVCCPCPX-LJQANCHMSA-N 0 3 431.462 2.855 40 0 IFABHN Cc1nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257251340 568689219 /nfs/dbraw/zinc/68/92/19/568689219.db2.gz JQJFUIHYSSIIOO-NRFANRHFSA-N 0 3 448.571 2.522 40 0 IFABHN Cc1ncccc1O[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2OCC(N)=O)CC[C@@H]1O ZINC000257253906 568690405 /nfs/dbraw/zinc/69/04/05/568690405.db2.gz KATIODPKHFHYIC-UNMCSNQZSA-N 0 3 441.572 2.956 40 0 IFABHN CN(C)CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257270965 568698074 /nfs/dbraw/zinc/69/80/74/568698074.db2.gz MWITZNGBQDIVFQ-SFHVURJKSA-N 0 3 426.439 2.512 40 0 IFABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257330736 568724761 /nfs/dbraw/zinc/72/47/61/568724761.db2.gz XPRJBBFRNUBFNW-QGZVFWFLSA-N 0 3 432.546 2.509 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](N3)NCN[C@@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000604940865 568754901 /nfs/dbraw/zinc/75/49/01/568754901.db2.gz FZKTWZZPPTUYSG-GJVZRYLUSA-N 0 3 448.659 2.628 40 0 IFABHN COc1ccc(CN2CCO[C@]3(CN(Cc4ccncc4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306124211 568763267 /nfs/dbraw/zinc/76/32/67/568763267.db2.gz BJKXEURDONELMM-RSXGOPAZSA-N 0 3 444.535 2.882 40 0 IFABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126542 568764218 /nfs/dbraw/zinc/76/42/18/568764218.db2.gz DYTMTPNGONNGEC-URXFXBBRSA-N 0 3 433.560 2.611 40 0 IFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306131160 568766304 /nfs/dbraw/zinc/76/63/04/568766304.db2.gz JXXSZYZOVRJIED-HOTGVXAUSA-N 0 3 435.459 2.703 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2cccc(Cl)c2)C1 ZINC000306140372 568771675 /nfs/dbraw/zinc/77/16/75/568771675.db2.gz URJYPAPSZPUWLX-NRFANRHFSA-N 0 3 428.945 2.716 40 0 IFABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 ZINC000306142522 568772619 /nfs/dbraw/zinc/77/26/19/568772619.db2.gz XBROGZWMQVUKDS-QFIPXVFZSA-N 0 3 430.574 2.530 40 0 IFABHN CN(C)CCNc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328965224 568807713 /nfs/dbraw/zinc/80/77/13/568807713.db2.gz CAWLOBBCCYBZEA-UHFFFAOYSA-N 0 3 432.450 2.867 40 0 IFABHN CN(C)c1cc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)nc([C@H]2CCCN2)n1 ZINC000019709804 569234795 /nfs/dbraw/zinc/23/47/95/569234795.db2.gz CIZCFZZCZRBPTO-JOCHJYFZSA-N 0 3 436.604 2.805 40 0 IFABHN Cc1nc([C@H]2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019758123 569237336 /nfs/dbraw/zinc/23/73/36/569237336.db2.gz HYZFZZRQBKKKNJ-IBGZPJMESA-N 0 3 434.544 2.905 40 0 IFABHN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218096758 569456288 /nfs/dbraw/zinc/45/62/88/569456288.db2.gz TXNPCUZOXBUYCO-JQVVWYNYSA-N 0 3 432.542 2.857 40 0 IFABHN CN(C)CCCNc1nc(-c2ccncc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329014756 569582844 /nfs/dbraw/zinc/58/28/44/569582844.db2.gz MXQNRJRBTVLZMM-UHFFFAOYSA-N 0 3 442.549 3.110 40 0 IFABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1 ZINC000096296433 291340322 /nfs/dbraw/zinc/34/03/22/291340322.db2.gz SUSUOPXBLILXPC-FQEVSTJZSA-N 0 3 434.496 2.968 40 0 biogenic,in-vitro IFABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008298242 291347613 /nfs/dbraw/zinc/34/76/13/291347613.db2.gz FATZKUQQYDHMNU-ZNLUXHQJSA-N 0 3 447.539 2.686 40 0 biogenic,in-vitro IFABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000067870849 291349808 /nfs/dbraw/zinc/34/98/08/291349808.db2.gz QSGBGSNKJGUTTI-CNNODRBYSA-N 0 3 426.536 2.681 40 0 biogenic,in-vitro IFABHN O=C(Nc1ccccc1)[C@H]1O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1O ZINC000030879031 291351286 /nfs/dbraw/zinc/35/12/86/291351286.db2.gz NWPDKQNWVCJBAI-VABKMULXSA-N 0 3 427.520 2.885 40 0 biogenic,in-vitro IFABHN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(F)cc1 ZINC000096533294 291351873 /nfs/dbraw/zinc/35/18/73/291351873.db2.gz OXMTTXYWPJXZMT-UUFXTFJOSA-N 0 3 426.532 2.723 40 0 biogenic,in-vitro IFABHN CN(C)C(=O)c1cccc(COc2ccc(N3C(=N)NC(=N)NC3(C)C)cc2Cl)c1 ZINC000000538490 132227579 /nfs/dbraw/zinc/22/75/79/132227579.db2.gz WJHBDAIAIDOONY-UHFFFAOYSA-N 0 3 428.924 2.806 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801579 521093915 /nfs/dbraw/zinc/09/39/15/521093915.db2.gz VDVSVDWZNRJAPU-SFTDATJTSA-N 0 3 438.503 2.663 40 0 IFABHN CN(C)CCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000013675188 521778474 /nfs/dbraw/zinc/77/84/74/521778474.db2.gz SXCFPKIKZHWBFG-UHFFFAOYSA-N 0 3 430.357 2.867 40 0 IFABHN COc1ccc(CN2CCC(CNC(=O)CN3c4ccccc4O[C@@H](C)C3=O)CC2)cc1 ZINC000012186199 524023531 /nfs/dbraw/zinc/02/35/31/524023531.db2.gz FPARJGOLXRKFGQ-SFHVURJKSA-N 0 3 437.540 2.838 40 0 IFABHN N=C(N)Nc1ccc(C(=O)Oc2ccc(OC(=O)c3cccc(NC(=N)N)c3)cc2)cc1 ZINC000001730021 555711190 /nfs/dbraw/zinc/71/11/90/555711190.db2.gz BGQPHWXZJKZDBP-UHFFFAOYSA-N 0 3 432.440 2.736 40 0 IFABHN COc1cccc(OC)c1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219497 556403046 /nfs/dbraw/zinc/40/30/46/556403046.db2.gz WDGDYQNUFIUMRY-SFHVURJKSA-N 0 3 437.544 2.964 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000029837978 556483827 /nfs/dbraw/zinc/48/38/27/556483827.db2.gz RHLQPMOLSOQJKQ-UHFFFAOYSA-N 0 3 441.597 2.652 40 0 IFABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947258 556517526 /nfs/dbraw/zinc/51/75/26/556517526.db2.gz NKFWBUHPIWAVML-HXUWFJFHSA-N 0 3 445.560 2.571 40 0 IFABHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030947430 556517694 /nfs/dbraw/zinc/51/76/94/556517694.db2.gz KEPBNTRFOSXBTO-IBGZPJMESA-N 0 3 445.560 2.877 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1C(=O)N1CCCC1 ZINC000013669188 556549718 /nfs/dbraw/zinc/54/97/18/556549718.db2.gz YPCQMYWAASIUQE-ROUUACIJSA-N 0 3 437.606 2.578 40 0 IFABHN CN(C)CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013671065 556552019 /nfs/dbraw/zinc/55/20/19/556552019.db2.gz SJEDQQFHZMWTAG-UHFFFAOYSA-N 0 3 430.357 2.867 40 0 IFABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000044913721 556681340 /nfs/dbraw/zinc/68/13/40/556681340.db2.gz OKXLRZJQQUSFNK-UHFFFAOYSA-N 0 3 427.420 2.959 40 0 IFABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCN(c4ccc(F)cn4)C3)cc2)n1 ZINC000257229682 556708973 /nfs/dbraw/zinc/70/89/73/556708973.db2.gz FZDIZNIQYYDYMF-DEOSSOPVSA-N 0 3 439.535 2.844 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000019234500 556718726 /nfs/dbraw/zinc/71/87/26/556718726.db2.gz PEZAJXVMPSXLTA-WZONZLPQSA-N 0 3 444.597 2.723 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000019234498 556718758 /nfs/dbraw/zinc/71/87/58/556718758.db2.gz PEZAJXVMPSXLTA-JPYJTQIMSA-N 0 3 444.597 2.723 40 0 IFABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019345599 556742525 /nfs/dbraw/zinc/74/25/25/556742525.db2.gz MEZAQIZJHKMUSI-VQTJNVASSA-N 0 3 427.497 2.938 40 0 IFABHN COCc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 ZINC000019449994 556760751 /nfs/dbraw/zinc/76/07/51/556760751.db2.gz HBRBNHKAIMVPMT-NHCUHLMSSA-N 0 3 441.576 2.947 40 0 IFABHN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533243 556793244 /nfs/dbraw/zinc/79/32/44/556793244.db2.gz ALUFQGJXYNNFJB-LJQANCHMSA-N 0 3 436.556 2.843 40 0 IFABHN CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533243 556793246 /nfs/dbraw/zinc/79/32/46/556793246.db2.gz ALUFQGJXYNNFJB-LJQANCHMSA-N 0 3 436.556 2.843 40 0 IFABHN COCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019592788 556828904 /nfs/dbraw/zinc/82/89/04/556828904.db2.gz FUQZUWBRFAXNIV-GOSISDBHSA-N 0 3 430.574 2.976 40 0 IFABHN COc1cc(CN2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019689293 556843888 /nfs/dbraw/zinc/84/38/88/556843888.db2.gz CIPUYNWMOHDCJV-IBGZPJMESA-N 0 3 435.528 2.734 40 0 IFABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)Oc1ccc(OC)cc1)C2 ZINC000019707465 556867143 /nfs/dbraw/zinc/86/71/43/556867143.db2.gz XZHNDUOVLRGRAK-SFHVURJKSA-N 0 3 425.533 2.694 40 0 IFABHN CNc1nc([C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710617 556874015 /nfs/dbraw/zinc/87/40/15/556874015.db2.gz LHBAHEDYBQGKBK-IBGZPJMESA-N 0 3 436.560 2.761 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000019710684 556874331 /nfs/dbraw/zinc/87/43/31/556874331.db2.gz LDBFGDUNGJTPKZ-UHFFFAOYSA-N 0 3 435.981 2.728 40 0 IFABHN CCN(CC)CC(=O)N1CCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019744334 556890433 /nfs/dbraw/zinc/89/04/33/556890433.db2.gz NXJPJDXXJAFSKX-NRFANRHFSA-N 0 3 435.572 2.922 40 0 IFABHN O=C(Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O)Nc1nccs1 ZINC000019750999 556894970 /nfs/dbraw/zinc/89/49/70/556894970.db2.gz IEFZMLZOFMDVAO-UHFFFAOYSA-N 0 3 437.525 2.792 40 0 IFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335570 556908549 /nfs/dbraw/zinc/90/85/49/556908549.db2.gz QNUMIIOHSBFBEM-YESZJQIVSA-N 0 3 440.544 2.761 40 0 IFABHN COc1ccc2nc(CN3C[C@@H]4CC[C@@](O)(c5cnc(OC)nc5OC)[C@@H]4C3)ccc2c1 ZINC000072392611 556963699 /nfs/dbraw/zinc/96/36/99/556963699.db2.gz NXDBVUBHCHGBIA-LZBHBKQYSA-N 0 3 436.512 2.780 40 0 IFABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(OC)c1 ZINC000072394964 556966382 /nfs/dbraw/zinc/96/63/82/556966382.db2.gz HPVVXWPGASGUDG-QRQCMCJISA-N 0 3 425.529 2.696 40 0 IFABHN O=C(c1cccnc1)N1CCc2nc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072398750 556970585 /nfs/dbraw/zinc/97/05/85/556970585.db2.gz DTCDTXWWSPQMSX-SFHVURJKSA-N 0 3 433.556 2.899 40 0 IFABHN O=C(c1cccnc1)N1CCc2nc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072398751 556970605 /nfs/dbraw/zinc/97/06/05/556970605.db2.gz DTCDTXWWSPQMSX-GOSISDBHSA-N 0 3 433.556 2.899 40 0 IFABHN CC(C)(C)CCNC(=O)[C@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585102011 557035564 /nfs/dbraw/zinc/03/55/64/557035564.db2.gz WZTSJKUHBGAOEC-OAQYLSRUSA-N 0 3 444.620 2.699 40 0 IFABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109770 557041807 /nfs/dbraw/zinc/04/18/07/557041807.db2.gz RUAFTAWRJPLNFQ-WPFOTENUSA-N 0 3 428.504 2.754 40 0 IFABHN COc1cc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC ZINC000006198558 557150427 /nfs/dbraw/zinc/15/04/27/557150427.db2.gz KWQYEYFZIWYBOT-UHFFFAOYSA-N 0 3 444.557 2.577 40 0 IFABHN Cc1ccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)cc1 ZINC000096145917 557176080 /nfs/dbraw/zinc/17/60/80/557176080.db2.gz AXVYRRAEIGHYHL-VXKWHMMOSA-N 0 3 443.613 2.973 40 0 IFABHN COCCn1cnc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)c3ccccn23)c1 ZINC000096154915 557178986 /nfs/dbraw/zinc/17/89/86/557178986.db2.gz ZFZMTLRHVGYXKQ-UHFFFAOYSA-N 0 3 430.512 2.807 40 0 IFABHN Cc1nc(-c2nc(C(=O)NCCN3CCCC3)c3ccccn32)cn1Cc1ccncc1 ZINC000096155208 557179450 /nfs/dbraw/zinc/17/94/50/557179450.db2.gz SHGKSAZJMGPGCN-UHFFFAOYSA-N 0 3 429.528 2.775 40 0 IFABHN CCCCNC(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096262814 557190401 /nfs/dbraw/zinc/19/04/01/557190401.db2.gz ZLBORVHKYRTCOF-XMMPIXPASA-N 0 3 427.593 2.728 40 0 IFABHN COCCOc1cc(CN2CC[C@@](O)(CN(C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212189 /nfs/dbraw/zinc/21/21/89/557212189.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 0 3 444.572 2.798 40 0 IFABHN CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271412 557214565 /nfs/dbraw/zinc/21/45/65/557214565.db2.gz YLABCWYXUCEJPZ-AREMUKBSSA-N 0 3 439.600 2.861 40 0 IFABHN CCOCCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271414 557214628 /nfs/dbraw/zinc/21/46/28/557214628.db2.gz YLABCWYXUCEJPZ-SANMLTNESA-N 0 3 439.600 2.861 40 0 IFABHN OC1(COc2ccccc2F)CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000585281886 557220111 /nfs/dbraw/zinc/22/01/11/557220111.db2.gz SAPFPDCFWLXUNU-UHFFFAOYSA-N 0 3 444.547 2.943 40 0 IFABHN O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000585282105 557221400 /nfs/dbraw/zinc/22/14/00/557221400.db2.gz XSWFFIPUPGJZGR-RUZDIDTESA-N 0 3 426.557 2.804 40 0 IFABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(C)c4)CC3)CC[C@@H]2O)cc1 ZINC000585282691 557222080 /nfs/dbraw/zinc/22/20/80/557222080.db2.gz MXBRLTABDDOYPM-AHWVRZQESA-N 0 3 440.584 2.511 40 0 IFABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000585287309 557223774 /nfs/dbraw/zinc/22/37/74/557223774.db2.gz MKHVNIOJHHZRLM-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4C)C3)CC2)cc1 ZINC000585285093 557224889 /nfs/dbraw/zinc/22/48/89/557224889.db2.gz CHOWAHPBBNCAGU-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000057313299 557244367 /nfs/dbraw/zinc/24/43/67/557244367.db2.gz QRCZJOJDPSVIHD-UHFFFAOYSA-N 0 3 426.571 2.960 40 0 IFABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 ZINC000223130079 557436154 /nfs/dbraw/zinc/43/61/54/557436154.db2.gz CVDWINXPOYYBFC-FGZHOGPDSA-N 0 3 434.569 2.572 40 0 IFABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 ZINC000223130198 557436193 /nfs/dbraw/zinc/43/61/93/557436193.db2.gz CVDWINXPOYYBFC-YADHBBJMSA-N 0 3 434.569 2.572 40 0 IFABHN Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019221938 557497961 /nfs/dbraw/zinc/49/79/61/557497961.db2.gz RDVJMIQJPVMQAV-DENIHFKCSA-N 0 3 433.560 2.808 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 ZINC000019632749 557502096 /nfs/dbraw/zinc/50/20/96/557502096.db2.gz HCCYBOLXZWVINL-UXHICEINSA-N 0 3 440.931 2.868 40 0 IFABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc5c(c4)OCCO5)nn3cnc1O2 ZINC000019635636 557522373 /nfs/dbraw/zinc/52/23/73/557522373.db2.gz QGWMPFXLSMWHQG-QGZVFWFLSA-N 0 3 442.439 2.613 40 0 IFABHN CN(CC(=O)NCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225237682 557703800 /nfs/dbraw/zinc/70/38/00/557703800.db2.gz QHJRDIUZZZOIQG-UHFFFAOYSA-N 0 3 435.977 2.525 40 0 IFABHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009493812 562972254 /nfs/dbraw/zinc/97/22/54/562972254.db2.gz BZIIERPRJXVDEK-UHFFFAOYSA-N 0 3 441.597 2.868 40 0 IFABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 ZINC000585270010 568616852 /nfs/dbraw/zinc/61/68/52/568616852.db2.gz AYKRXJKPMYLSNO-HXUWFJFHSA-N 0 3 428.529 2.568 40 0 IFABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1 ZINC000585287660 568618903 /nfs/dbraw/zinc/61/89/03/568618903.db2.gz QIACUQKLNHWXNI-UIOOFZCWSA-N 0 3 442.600 2.929 40 0 IFABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4C)CC3)C2)c1 ZINC000585287794 568619342 /nfs/dbraw/zinc/61/93/42/568619342.db2.gz RZXLXZNTHJWBFP-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2CN2CCCCC2)Oc2ccccc21 ZINC000260894877 568628302 /nfs/dbraw/zinc/62/83/02/568628302.db2.gz GDJXGXQBPKIJQB-JOCHJYFZSA-N 0 3 443.569 2.516 40 0 IFABHN c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4OCCN4CCCC4)C3)ncc2n1 ZINC000257235108 568681688 /nfs/dbraw/zinc/68/16/88/568681688.db2.gz GWLWGMZXELGDNM-NRFANRHFSA-N 0 3 435.572 2.895 40 0 IFABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cn[nH]c2)CC1 ZINC000257242732 568684995 /nfs/dbraw/zinc/68/49/95/568684995.db2.gz IDWMKAHHBVYCJM-CZYKHXBRSA-N 0 3 444.551 2.986 40 0 IFABHN CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)[C@@H](c2ccccc2)C1 ZINC000257257597 568692028 /nfs/dbraw/zinc/69/20/28/568692028.db2.gz KQIDUSOZQJZUEQ-JOCHJYFZSA-N 0 3 435.572 2.814 40 0 IFABHN CN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273267 568699168 /nfs/dbraw/zinc/69/91/68/568699168.db2.gz NFXHGBTZVLFVTI-QHCPKHFHSA-N 0 3 445.571 2.795 40 0 IFABHN COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cncnc2)c1 ZINC000257293203 568708178 /nfs/dbraw/zinc/70/81/78/568708178.db2.gz QONWGDKIUVOIPK-SFHLNBCPSA-N 0 3 437.544 2.973 40 0 IFABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)c2ccn[nH]2)CC1 ZINC000257296792 568709855 /nfs/dbraw/zinc/70/98/55/568709855.db2.gz REKPOTSKEBJTOT-YJMBLLCNSA-N 0 3 444.551 2.986 40 0 IFABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218204934 568740400 /nfs/dbraw/zinc/74/04/00/568740400.db2.gz ILUHTTGVUNWCNK-JKIFEVAISA-N 0 3 433.368 2.572 40 0 IFABHN NCC1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238727 568740917 /nfs/dbraw/zinc/74/09/17/568740917.db2.gz DTWOKSAOLIYTED-HOTGVXAUSA-N 0 3 429.767 2.946 40 0 IFABHN NC[C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239077 568740954 /nfs/dbraw/zinc/74/09/54/568740954.db2.gz KABRPIILECQRPU-YESZJQIVSA-N 0 3 430.751 2.980 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@@H](N3)NCN[C@@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000604940867 568754894 /nfs/dbraw/zinc/75/48/94/568754894.db2.gz FZKTWZZPPTUYSG-KPZQWKJOSA-N 0 3 448.659 2.628 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306133101 568767593 /nfs/dbraw/zinc/76/75/93/568767593.db2.gz MBYOJTOIWNKMCZ-DLBZAZTESA-N 0 3 447.495 2.572 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306133103 568767669 /nfs/dbraw/zinc/76/76/69/568767669.db2.gz MBYOJTOIWNKMCZ-IRXDYDNUSA-N 0 3 447.495 2.572 40 0 IFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(OC)cc3)CC1)COC2 ZINC000306134451 568768460 /nfs/dbraw/zinc/76/84/60/568768460.db2.gz NNUMVSMBRGXGKG-QGZVFWFLSA-N 0 3 427.549 2.628 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccccc2Cl)C1 ZINC000306134798 568768666 /nfs/dbraw/zinc/76/86/66/568768666.db2.gz NYJPJCDXBMHFRT-NRFANRHFSA-N 0 3 428.945 2.716 40 0 IFABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 ZINC000306138752 568770835 /nfs/dbraw/zinc/77/08/35/568770835.db2.gz SGIIZUPYOWHMGU-JOCHJYFZSA-N 0 3 428.606 2.801 40 0 IFABHN CN(C)CCN1C[C@@H]2N(S(=O)(=O)c3cccs3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306142416 568772656 /nfs/dbraw/zinc/77/26/56/568772656.db2.gz WYXIHSPVKWMMAC-SIKLNZKXSA-N 0 3 447.626 2.633 40 0 IFABHN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773206 /nfs/dbraw/zinc/77/32/06/568773206.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 0 3 449.642 2.773 40 0 IFABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000575422686 568863968 /nfs/dbraw/zinc/86/39/68/568863968.db2.gz MRHPTWINHJWTGV-IBGZPJMESA-N 0 3 430.636 2.720 40 0 IFABHN COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)CN3CCCC3)CC2)nc1C ZINC000019764052 569238357 /nfs/dbraw/zinc/23/83/57/569238357.db2.gz BILGAWFNSAKJKY-UHFFFAOYSA-N 0 3 437.544 2.848 40 0 IFABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218096569 569456299 /nfs/dbraw/zinc/45/62/99/569456299.db2.gz TXNPCUZOXBUYCO-IPJJNNNSSA-N 0 3 432.542 2.857 40 0 IFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242543549 569461982 /nfs/dbraw/zinc/46/19/82/569461982.db2.gz KFEZPHKSZLBFFM-NNMXDRDESA-N 0 3 446.525 2.577 40 0 IFABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4cccs4)c23)CC1 ZINC000008300422 291340019 /nfs/dbraw/zinc/34/00/19/291340019.db2.gz PLCCAKCUHYLMER-DLBZAZTESA-N 0 3 440.569 2.592 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)C4CCCCC4)c23)CC1 ZINC000008300416 291340029 /nfs/dbraw/zinc/34/00/29/291340029.db2.gz RVMGCHBRIKTQMZ-AZUAARDMSA-N 0 3 440.588 2.797 40 0 biogenic,in-vitro IFABHN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113469 291343591 /nfs/dbraw/zinc/34/35/91/291343591.db2.gz GWBKJPXJALTTEW-IFMALSPDSA-N 0 3 426.536 2.986 40 0 biogenic,in-vitro IFABHN CN1C[C@H](NCc2cccnc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113507 291343610 /nfs/dbraw/zinc/34/36/10/291343610.db2.gz KUYMMQKWBOIAEC-WIYYLYMNSA-N 0 3 430.499 2.783 40 0 biogenic,in-vitro IFABHN Cc1nc(C)c(CNC[C@@]2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)s1 ZINC000107430413 291348501 /nfs/dbraw/zinc/34/85/01/291348501.db2.gz UKSFKGMQVQDSIV-JLVBRIDZSA-N 0 3 431.480 2.844 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 ZINC000012163015 519546708 /nfs/dbraw/zinc/54/67/08/519546708.db2.gz KDIZNYQYEANHKF-RDGATRHJSA-N 0 3 440.588 2.719 40 0 IFABHN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCCCCC1 ZINC000408700181 556103512 /nfs/dbraw/zinc/10/35/12/556103512.db2.gz BOYBUOIZSWFWRV-UHFFFAOYSA-N 0 3 437.606 2.722 40 0 IFABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 ZINC000006779501 556103882 /nfs/dbraw/zinc/10/38/82/556103882.db2.gz VMTGQMJACAWGNX-UHFFFAOYSA-N 0 3 427.501 2.562 40 0 IFABHN COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1cc(C)ccc1C ZINC000008653648 556196930 /nfs/dbraw/zinc/19/69/30/556196930.db2.gz BELSWYSWNHPMHA-CQSZACIVSA-N 0 3 441.871 2.733 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(=O)N1CCCCC1 ZINC000013670633 556551549 /nfs/dbraw/zinc/55/15/49/556551549.db2.gz YMWDZZZLSHUAHN-UHFFFAOYSA-N 0 3 437.606 2.722 40 0 IFABHN COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133887 556705366 /nfs/dbraw/zinc/70/53/66/556705366.db2.gz NJYDQXKRYYWSNB-LJQANCHMSA-N 0 3 436.556 2.761 40 0 IFABHN COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133887 556705369 /nfs/dbraw/zinc/70/53/69/556705369.db2.gz NJYDQXKRYYWSNB-LJQANCHMSA-N 0 3 436.556 2.761 40 0 IFABHN COc1ccc2c(c1)C[C@H](C1CCOCC1)N(Cc1ccc(OCC(N)=O)c(OC)c1)C2 ZINC000019562510 556803768 /nfs/dbraw/zinc/80/37/68/556803768.db2.gz MOLWHAHTCOFSEZ-JOCHJYFZSA-N 0 3 440.540 2.921 40 0 IFABHN C[NH+]1CCC(c2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc(=O)[n-]2)CC1 ZINC000019588200 556824013 /nfs/dbraw/zinc/82/40/13/556824013.db2.gz CAGUAYPOZJMGQR-SFHVURJKSA-N 0 3 438.528 2.669 40 0 IFABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc(=O)[n-]2)CC1 ZINC000019588198 556824150 /nfs/dbraw/zinc/82/41/50/556824150.db2.gz CAGUAYPOZJMGQR-GOSISDBHSA-N 0 3 438.528 2.669 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019699952 556859696 /nfs/dbraw/zinc/85/96/96/556859696.db2.gz ADNSHHYZMOKSCB-HSZRJFAPSA-N 0 3 447.583 2.675 40 0 IFABHN CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4ccc5nccnc5c4)CC3)[n-]c(=O)c2C1 ZINC000072398748 556970634 /nfs/dbraw/zinc/97/06/34/556970634.db2.gz JJSDNJWLTCRBLM-UHFFFAOYSA-N 0 3 446.555 2.778 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000072399218 556971858 /nfs/dbraw/zinc/97/18/58/556971858.db2.gz ICAKSSRTVNGUBO-GOSISDBHSA-N 0 3 444.601 2.954 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc(=O)[n-]2)CC1 ZINC000072399218 556971860 /nfs/dbraw/zinc/97/18/60/556971860.db2.gz ICAKSSRTVNGUBO-GOSISDBHSA-N 0 3 444.601 2.954 40 0 IFABHN Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)c1 ZINC000585107180 557038365 /nfs/dbraw/zinc/03/83/65/557038365.db2.gz QSLKWQIHAFTOPV-BVAGGSTKSA-N 0 3 435.568 2.702 40 0 IFABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccco3)cc2c1 ZINC000006196619 557148971 /nfs/dbraw/zinc/14/89/71/557148971.db2.gz KTAGRCUUQDGWIO-UHFFFAOYSA-N 0 3 428.558 2.958 40 0 IFABHN CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(CC1CCOCC1)CC2 ZINC000096036929 557164118 /nfs/dbraw/zinc/16/41/18/557164118.db2.gz IWJMEDKEOMSLBV-UHFFFAOYSA-N 0 3 444.601 2.543 40 0 IFABHN Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096056138 557166991 /nfs/dbraw/zinc/16/69/91/557166991.db2.gz RANYLBNDGJDBCY-YKSBVNFPSA-N 0 3 438.576 2.563 40 0 IFABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000585261491 557194981 /nfs/dbraw/zinc/19/49/81/557194981.db2.gz XXKUZCDQJDCEJA-HBFSDRIKSA-N 0 3 434.462 2.875 40 0 IFABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000585269693 557213855 /nfs/dbraw/zinc/21/38/55/557213855.db2.gz HZIQAKAWJKLKPE-FQEVSTJZSA-N 0 3 428.529 2.568 40 0 IFABHN O[C@@]1(COc2ccccc2)CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585270344 557214173 /nfs/dbraw/zinc/21/41/73/557214173.db2.gz BTIVWPVYYGJHLI-VWLOTQADSA-N 0 3 426.557 2.804 40 0 IFABHN Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000585283513 557223054 /nfs/dbraw/zinc/22/30/54/557223054.db2.gz RLKJQPSAUONFGL-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN CCCC(CCC)N1CCN(C(=O)COC)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283565 557223131 /nfs/dbraw/zinc/22/31/31/557223131.db2.gz RXZJBXIHVVJJAC-QFIPXVFZSA-N 0 3 428.520 2.834 40 0 IFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284095 557223448 /nfs/dbraw/zinc/22/34/48/557223448.db2.gz UZLOEGJOFHGRKI-JOCHJYFZSA-N 0 3 426.504 2.588 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284235 557223748 /nfs/dbraw/zinc/22/37/48/557223748.db2.gz VYQCGKVEWYKDAB-QHCPKHFHSA-N 0 3 434.964 2.923 40 0 IFABHN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928960 557277217 /nfs/dbraw/zinc/27/72/17/557277217.db2.gz SANLMTRHAYBMEQ-PKTZIBPZSA-N 0 3 440.592 2.900 40 0 IFABHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000220377510 557293708 /nfs/dbraw/zinc/29/37/08/557293708.db2.gz ABPOHEHMLLYUHK-NSHDSACASA-N 0 3 441.903 2.724 40 0 IFABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000113944727 557380519 /nfs/dbraw/zinc/38/05/19/557380519.db2.gz LEXWEJNCEOYAPD-HNNXBMFYSA-N 0 3 448.416 2.746 40 0 IFABHN CCOc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000113964006 557382989 /nfs/dbraw/zinc/38/29/89/557382989.db2.gz MEPXGYWXSYIUPL-UHFFFAOYSA-N 0 3 445.585 2.876 40 0 IFABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 ZINC000223173100 557441342 /nfs/dbraw/zinc/44/13/42/557441342.db2.gz XKPIDEDKUFHSEO-GOTSBHOMSA-N 0 3 448.596 2.962 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000019632739 557502109 /nfs/dbraw/zinc/50/21/09/557502109.db2.gz HCCYBOLXZWVINL-WOJBJXKFSA-N 0 3 440.931 2.868 40 0 IFABHN COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1C ZINC000223859583 557521582 /nfs/dbraw/zinc/52/15/82/557521582.db2.gz YDQKSDYXTUNCHM-UHFFFAOYSA-N 0 3 432.542 2.733 40 0 IFABHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc5c(c4)OCCO5)nn3cnc1O2 ZINC000019635633 557522439 /nfs/dbraw/zinc/52/24/39/557522439.db2.gz QGWMPFXLSMWHQG-KRWDZBQOSA-N 0 3 442.439 2.613 40 0 IFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(F)cc1 ZINC000224814858 557654752 /nfs/dbraw/zinc/65/47/52/557654752.db2.gz GAWHXDCRPLLZNW-UHFFFAOYSA-N 0 3 433.549 2.894 40 0 IFABHN COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224853332 557659106 /nfs/dbraw/zinc/65/91/06/557659106.db2.gz MOJNATXAFMHSTI-UHFFFAOYSA-N 0 3 445.585 2.618 40 0 IFABHN Cc1ccc(C)c(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1C ZINC000585285940 568618876 /nfs/dbraw/zinc/61/88/76/568618876.db2.gz FMSOTHPMUKXVFA-AHWVRZQESA-N 0 3 442.600 2.929 40 0 IFABHN CC(C)N1CCN(C(=O)C[C@@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000257206332 568667953 /nfs/dbraw/zinc/66/79/53/568667953.db2.gz BCXCWSMBFBYRFO-SFHVURJKSA-N 0 3 443.567 2.816 40 0 IFABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)CC1 ZINC000257246571 568686817 /nfs/dbraw/zinc/68/68/17/568686817.db2.gz IUSFXKYKIAQUPF-QFIPXVFZSA-N 0 3 447.583 2.702 40 0 IFABHN CC(=O)N(C)[C@H]1CCOC2(CCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CC2)C1 ZINC000257285003 568704503 /nfs/dbraw/zinc/70/45/03/568704503.db2.gz PFFKRZUOMPFKPK-QHCPKHFHSA-N 0 3 441.616 2.960 40 0 IFABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257311843 568716287 /nfs/dbraw/zinc/71/62/87/568716287.db2.gz ULFVORPZRBQULU-SFHVURJKSA-N 0 3 446.573 2.899 40 0 IFABHN Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(N3CCN(C)CC3)cc2)[C@H]1O ZINC000257315632 568717885 /nfs/dbraw/zinc/71/78/85/568717885.db2.gz VCFIQLKPWRIJHA-DNVJHFABSA-N 0 3 425.577 2.560 40 0 IFABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 ZINC000257323098 568721251 /nfs/dbraw/zinc/72/12/51/568721251.db2.gz WITWRSBHMYOGRF-SFHVURJKSA-N 0 3 446.573 2.899 40 0 IFABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2ccn[nH]2)CC1 ZINC000257337945 568727845 /nfs/dbraw/zinc/72/78/45/568727845.db2.gz YVCKJKDGHUIJOV-CZYKHXBRSA-N 0 3 444.551 2.986 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215035 568740575 /nfs/dbraw/zinc/74/05/75/568740575.db2.gz NUQIJOGDLJPESP-JENIJYKNSA-N 0 3 438.343 2.897 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](N3)NCN[C@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000604940866 568754794 /nfs/dbraw/zinc/75/47/94/568754794.db2.gz FZKTWZZPPTUYSG-JNRZVTKQSA-N 0 3 448.659 2.628 40 0 IFABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 ZINC000306123561 568762776 /nfs/dbraw/zinc/76/27/76/568762776.db2.gz AQDPBYSSCQLOIF-VWLOTQADSA-N 0 3 430.556 2.607 40 0 IFABHN COc1ccc(CN2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000306124488 568763220 /nfs/dbraw/zinc/76/32/20/568763220.db2.gz BRCVXAOOMNLZAV-SQJMNOBHSA-N 0 3 435.572 2.730 40 0 IFABHN COc1cccc(-n2nccc2-c2nc(C(=O)NCCN3CCCCC3)c3cnccn32)c1 ZINC000306128074 568764902 /nfs/dbraw/zinc/76/49/02/568764902.db2.gz GPJAHKXNIMGCEY-UHFFFAOYSA-N 0 3 445.527 2.806 40 0 IFABHN O=S1(=O)c2cccnc2OCC2(CCN(C3CCC3)CC2)CN1Cc1cccnc1 ZINC000306128546 568765271 /nfs/dbraw/zinc/76/52/71/568765271.db2.gz HDNBOHVWKQNMNN-UHFFFAOYSA-N 0 3 428.558 2.695 40 0 IFABHN Cn1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)n1 ZINC000306133235 568767597 /nfs/dbraw/zinc/76/75/97/568767597.db2.gz MGFLBZWGOYJNBX-UHFFFAOYSA-N 0 3 446.555 2.903 40 0 IFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000306139724 568771330 /nfs/dbraw/zinc/77/13/30/568771330.db2.gz TYOHPUCQYWPHBZ-DEOSSOPVSA-N 0 3 432.480 2.590 40 0 IFABHN COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(Cc1ccncc1)C2=O ZINC000306140007 568771501 /nfs/dbraw/zinc/77/15/01/568771501.db2.gz UGSRYDYJQRGAPC-SQJMNOBHSA-N 0 3 446.555 2.627 40 0 IFABHN CN(C)CCN1C[C@H]2N(S(=O)(=O)c3cccs3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306142415 568772704 /nfs/dbraw/zinc/77/27/04/568772704.db2.gz WYXIHSPVKWMMAC-KNQAVFIVSA-N 0 3 447.626 2.633 40 0 IFABHN CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142748 568772995 /nfs/dbraw/zinc/77/29/95/568772995.db2.gz XIHJODYWJCKRNN-CYFREDJKSA-N 0 3 427.545 2.918 40 0 IFABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)n1 ZINC000329022687 568809716 /nfs/dbraw/zinc/80/97/16/568809716.db2.gz OPSRJTGVDZQMHK-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000227307258 569183145 /nfs/dbraw/zinc/18/31/45/569183145.db2.gz IJQKWVHSIMOULQ-WDJPJFJCSA-N 0 3 439.556 2.831 40 0 IFABHN C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000248149751 569207431 /nfs/dbraw/zinc/20/74/31/569207431.db2.gz WXUNKRPLHVKSKK-TWHAJKEOSA-N 0 3 435.568 2.721 40 0 IFABHN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062795 569219672 /nfs/dbraw/zinc/21/96/72/569219672.db2.gz MCFXAJKNKSBEEW-UHFFFAOYSA-N 0 3 443.569 2.558 40 0 IFABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000012163033 569224929 /nfs/dbraw/zinc/22/49/29/569224929.db2.gz JHSCHRZCALCHAG-UTSGNWPNSA-N 0 3 428.577 2.573 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 ZINC000019699309 569230412 /nfs/dbraw/zinc/23/04/12/569230412.db2.gz NAVFXKZCSLIRAY-UHFFFAOYSA-N 0 3 447.583 2.675 40 0 IFABHN COc1cc2c(cc1CN1CC[C@H](c3cc(C(=O)Nc4nccs4)n[nH]3)C1)OCCO2 ZINC000019707704 569234478 /nfs/dbraw/zinc/23/44/78/569234478.db2.gz ANDXOMPIERORMG-ZDUSSCGKSA-N 0 3 441.513 2.888 40 0 IFABHN COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)NC3CCCCC3)O2)CC1 ZINC000030878851 291347591 /nfs/dbraw/zinc/34/75/91/291347591.db2.gz BERWBZSCXAZPTD-SSPYTLHUSA-N 0 3 445.604 2.565 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 ZINC000012162999 519546982 /nfs/dbraw/zinc/54/69/82/519546982.db2.gz KDIZNYQYEANHKF-DHLKQENFSA-N 0 3 440.588 2.719 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674625 521092287 /nfs/dbraw/zinc/09/22/87/521092287.db2.gz NDCWRDAJXXOZTG-FCHUYYIVSA-N 0 3 434.540 2.519 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801466 521092874 /nfs/dbraw/zinc/09/28/74/521092874.db2.gz RTQZSXIMYZPWRP-LEWJYISDSA-N 0 3 438.503 2.663 40 0 IFABHN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928954 525213020 /nfs/dbraw/zinc/21/30/20/525213020.db2.gz SANLMTRHAYBMEQ-GOTSBHOMSA-N 0 3 440.592 2.900 40 0 IFABHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000009291529 556274267 /nfs/dbraw/zinc/27/42/67/556274267.db2.gz MSKJKEHPSUZKQO-UHFFFAOYSA-N 0 3 446.555 2.547 40 0 IFABHN COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000013668307 556549010 /nfs/dbraw/zinc/54/90/10/556549010.db2.gz HPMMPGWAHVBJQC-UHFFFAOYSA-N 0 3 439.965 2.530 40 0 IFABHN C[C@@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1 ZINC000019077910 556695172 /nfs/dbraw/zinc/69/51/72/556695172.db2.gz BZWHBIZGLZXWCG-SFHVURJKSA-N 0 3 435.572 2.799 40 0 IFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCN2CCCC2=O)cc1 ZINC000257217399 556703053 /nfs/dbraw/zinc/70/30/53/556703053.db2.gz CYTQOJHEAPGAGI-OAQYLSRUSA-N 0 3 442.556 2.958 40 0 IFABHN Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](N4CCC(F)(F)CC4)C3)cc2)n1 ZINC000257227766 556708670 /nfs/dbraw/zinc/70/86/70/556708670.db2.gz FQUIRIFDYBJGFO-VXKWHMMOSA-N 0 3 434.531 2.855 40 0 IFABHN O=C1NCCN1CCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000257287408 556715673 /nfs/dbraw/zinc/71/56/73/556715673.db2.gz PPVZQPFXGJLHGP-UHFFFAOYSA-N 0 3 443.519 2.636 40 0 IFABHN O=C1CCOC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019340007 556739901 /nfs/dbraw/zinc/73/99/01/556739901.db2.gz VIBLRJMAOBZDJU-URXFXBBRSA-N 0 3 431.496 2.539 40 0 IFABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019345597 556742684 /nfs/dbraw/zinc/74/26/84/556742684.db2.gz MEZAQIZJHKMUSI-PMACEKPBSA-N 0 3 427.497 2.938 40 0 IFABHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453232 556763864 /nfs/dbraw/zinc/76/38/64/556763864.db2.gz AOVVKESKLHREBX-IBGZPJMESA-N 0 3 444.601 2.591 40 0 IFABHN CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453232 556763865 /nfs/dbraw/zinc/76/38/65/556763865.db2.gz AOVVKESKLHREBX-IBGZPJMESA-N 0 3 444.601 2.591 40 0 IFABHN C[C@@H]1CN(c2nccc(CN3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@H](C)O1 ZINC000019497686 556770252 /nfs/dbraw/zinc/77/02/52/556770252.db2.gz LOOUJUZVQXJWHC-CALCHBBNSA-N 0 3 434.548 2.650 40 0 IFABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3cccc(C)n3)C[C@H]2C1=O ZINC000019526397 556784572 /nfs/dbraw/zinc/78/45/72/556784572.db2.gz AOZOHLMEUXPGAE-NVQXNPDNSA-N 0 3 449.599 2.699 40 0 IFABHN COc1ccc2c(c1)c(CN1C[C@@H](c3cccnc3)[C@]3(C1)COCCC(=O)N3)c(C)n2C ZINC000019581558 556819718 /nfs/dbraw/zinc/81/97/18/556819718.db2.gz HACUASJRHOJMIR-DHLKQENFSA-N 0 3 434.540 2.765 40 0 IFABHN C[NH+]1CCC(c2nc([C@H]3CCCN(C(=O)c4cc5ccccc5c(=O)[nH]4)C3)cc(=O)[n-]2)CC1 ZINC000019588204 556824124 /nfs/dbraw/zinc/82/41/24/556824124.db2.gz RGNWZYNSNIYISQ-SFHVURJKSA-N 0 3 447.539 2.853 40 0 IFABHN COc1cc(CN2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)ccc1OCC(N)=O ZINC000019688087 556842668 /nfs/dbraw/zinc/84/26/68/556842668.db2.gz ZTTVHMNSQDFZKU-UHFFFAOYSA-N 0 3 435.528 2.734 40 0 IFABHN CCN(CC)CC(=O)N1CCC[C@@H](c2nc3c(c(C)n2)CC(=O)N3CCc2ccccc2)C1 ZINC000019743856 556888933 /nfs/dbraw/zinc/88/89/33/556888933.db2.gz BIOMRRPKHNDBIL-OAQYLSRUSA-N 0 3 449.599 2.965 40 0 IFABHN Cc1cc2c(cc1CN1CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C ZINC000019757649 556901646 /nfs/dbraw/zinc/90/16/46/556901646.db2.gz IPVPJAUIFYMOOH-GOSISDBHSA-N 0 3 448.571 2.509 40 0 IFABHN COc1ccc(CN2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1Cn1cccn1 ZINC000019765916 556911030 /nfs/dbraw/zinc/91/10/30/556911030.db2.gz DMRJGCKYBVPGLJ-UHFFFAOYSA-N 0 3 448.571 2.999 40 0 IFABHN Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CCN(CC(C)(C)CN1CCOCC1)C3 ZINC000072339394 556911633 /nfs/dbraw/zinc/91/16/33/556911633.db2.gz SEOJHMZYADHYPL-UHFFFAOYSA-N 0 3 425.533 2.720 40 0 IFABHN COc1cc(CN2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353448 556926753 /nfs/dbraw/zinc/92/67/53/556926753.db2.gz VFFPODDFAKBHQF-SFHVURJKSA-N 0 3 448.527 2.868 40 0 IFABHN COc1cc(CN2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353449 556926861 /nfs/dbraw/zinc/92/68/61/556926861.db2.gz VFFPODDFAKBHQF-GOSISDBHSA-N 0 3 448.527 2.868 40 0 IFABHN COc1ccc2c(c1)C=C(CN1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CO2 ZINC000072392616 556963909 /nfs/dbraw/zinc/96/39/09/556963909.db2.gz BLXAOIYZHXGZET-LZBHBKQYSA-N 0 3 439.512 2.508 40 0 IFABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000257293012 556999584 /nfs/dbraw/zinc/99/95/84/556999584.db2.gz QNUMIIOHSBFBEM-BRWVUGGUSA-N 0 3 440.544 2.761 40 0 IFABHN CC(C)(C)CCNC(=O)[C@@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585102010 557035644 /nfs/dbraw/zinc/03/56/44/557035644.db2.gz WZTSJKUHBGAOEC-NRFANRHFSA-N 0 3 444.620 2.699 40 0 IFABHN CC(C)c1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)cc1 ZINC000096243717 557187607 /nfs/dbraw/zinc/18/76/07/557187607.db2.gz IAGPNQZDPFMWFR-JOCHJYFZSA-N 0 3 438.572 2.755 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCC(C)CC1 ZINC000010279996 557213042 /nfs/dbraw/zinc/21/30/42/557213042.db2.gz QGMLIWGBAUQDTF-UHFFFAOYSA-N 0 3 437.606 2.722 40 0 IFABHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC2)cc1 ZINC000010288981 557213662 /nfs/dbraw/zinc/21/36/62/557213662.db2.gz WVOJJAFSLYCSFQ-UHFFFAOYSA-N 0 3 427.570 2.738 40 0 IFABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585283862 557223173 /nfs/dbraw/zinc/22/31/73/557223173.db2.gz IKQRKQUFLMAPMQ-RBBKRZOGSA-N 0 3 436.474 2.752 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284700 557224530 /nfs/dbraw/zinc/22/45/30/557224530.db2.gz ZAVAEJFTWZCLJI-QHCPKHFHSA-N 0 3 436.499 2.548 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)c1 ZINC000585284943 557224538 /nfs/dbraw/zinc/22/45/38/557224538.db2.gz BCXKTSQZNJMXKX-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)c1 ZINC000585286839 557225606 /nfs/dbraw/zinc/22/56/06/557225606.db2.gz JKYUVRPUHQAHJS-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)c1 ZINC000585287588 557227688 /nfs/dbraw/zinc/22/76/88/557227688.db2.gz PDWKANVPEHRUJW-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000113933872 557379146 /nfs/dbraw/zinc/37/91/46/557379146.db2.gz PEBDDHBOQDKLNX-UHFFFAOYSA-N 0 3 445.585 2.799 40 0 IFABHN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000113937323 557379411 /nfs/dbraw/zinc/37/94/11/557379411.db2.gz YUCIBAIZLJSWLP-UHFFFAOYSA-N 0 3 449.548 2.630 40 0 IFABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 ZINC000223172618 557441279 /nfs/dbraw/zinc/44/12/79/557441279.db2.gz XKPIDEDKUFHSEO-XZOQPEGZSA-N 0 3 448.596 2.962 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000017102211 557491060 /nfs/dbraw/zinc/49/10/60/557491060.db2.gz LAQKGFKJWVBQDK-NHCUHLMSSA-N 0 3 438.503 2.663 40 0 IFABHN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000224226877 557577856 /nfs/dbraw/zinc/57/78/56/557577856.db2.gz HZBOKZJYEWRXEP-UHFFFAOYSA-N 0 3 445.585 2.732 40 0 IFABHN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000224710469 557643157 /nfs/dbraw/zinc/64/31/57/557643157.db2.gz SLLTUSSKRQTOOV-UHFFFAOYSA-N 0 3 447.626 2.594 40 0 IFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1F ZINC000224814798 557654813 /nfs/dbraw/zinc/65/48/13/557654813.db2.gz XQWMGDCSZDSOLX-UHFFFAOYSA-N 0 3 433.549 2.894 40 0 IFABHN COc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O ZINC000224818855 557655226 /nfs/dbraw/zinc/65/52/26/557655226.db2.gz LHBXHRVFAFHRDF-UHFFFAOYSA-N 0 3 445.585 2.764 40 0 IFABHN Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CC[NH+](C)CC4)cc3)cc2sc1=O ZINC000225682828 557762753 /nfs/dbraw/zinc/76/27/53/557762753.db2.gz BFVPZBHOLUSLGX-UHFFFAOYSA-N 0 3 433.555 2.874 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)c1 ZINC000585287817 568619468 /nfs/dbraw/zinc/61/94/68/568619468.db2.gz SMWBXZCVIPLJGA-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN CC(C)CN1C(=O)CO[C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]21 ZINC000257248124 568687588 /nfs/dbraw/zinc/68/75/88/568687588.db2.gz JCFGMSOEUVSJNN-UNMCSNQZSA-N 0 3 445.604 2.696 40 0 IFABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)NCc4nc5ccccc5n4C)C[C@@H]32)ncn1 ZINC000257262157 568694200 /nfs/dbraw/zinc/69/42/00/568694200.db2.gz LKJHSWDHPCKXDT-SFHLNBCPSA-N 0 3 432.572 2.879 40 0 IFABHN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@@]3(Cc4ccccc4)CCCN3C)CC2)n1 ZINC000257270008 568697464 /nfs/dbraw/zinc/69/74/64/568697464.db2.gz MSJVKJUDVMEGGE-SANMLTNESA-N 0 3 449.599 2.732 40 0 IFABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257299283 568710815 /nfs/dbraw/zinc/71/08/15/568710815.db2.gz RPKJXHOVLNBAKB-NRFANRHFSA-N 0 3 444.963 2.770 40 0 IFABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257330735 568724775 /nfs/dbraw/zinc/72/47/75/568724775.db2.gz XPRJBBFRNUBFNW-KRWDZBQOSA-N 0 3 432.546 2.509 40 0 IFABHN CCOc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO ZINC000257337497 568727681 /nfs/dbraw/zinc/72/76/81/568727681.db2.gz YTAKEFLCTOMHRK-GOSISDBHSA-N 0 3 436.560 2.824 40 0 IFABHN CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257342071 568729321 /nfs/dbraw/zinc/72/93/21/568729321.db2.gz ZMYJKZNBGNNVQY-RFXJPUKYSA-N 0 3 443.588 2.783 40 0 IFABHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257342072 568729394 /nfs/dbraw/zinc/72/93/94/568729394.db2.gz ZMYJKZNBGNNVQY-TXMLBVJWSA-N 0 3 443.588 2.783 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218214962 568740628 /nfs/dbraw/zinc/74/06/28/568740628.db2.gz NUQIJOGDLJPESP-LNLFQRSKSA-N 0 3 438.343 2.897 40 0 IFABHN CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn21 ZINC000306141418 568772242 /nfs/dbraw/zinc/77/22/42/568772242.db2.gz VVMZYYZNKGSIEG-FQEVSTJZSA-N 0 3 447.543 2.510 40 0 IFABHN COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773178 /nfs/dbraw/zinc/77/31/78/568773178.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 0 3 449.642 2.773 40 0 IFABHN CN(C)CCNc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329017264 568809506 /nfs/dbraw/zinc/80/95/06/568809506.db2.gz NKECBAMRSWSTLO-UHFFFAOYSA-N 0 3 446.477 2.909 40 0 IFABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329050830 568810544 /nfs/dbraw/zinc/81/05/44/568810544.db2.gz UUZULHHJQKINGI-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575422070 568863655 /nfs/dbraw/zinc/86/36/55/568863655.db2.gz LXLJJWNVODMNTP-FQEVSTJZSA-N 0 3 438.615 2.750 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@H]4[C@@H](N3)NCN[C@H]4N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000521205759 568918214 /nfs/dbraw/zinc/91/82/14/568918214.db2.gz FZKTWZZPPTUYSG-FPAWMJDPSA-N 0 3 448.659 2.628 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248100668 569207001 /nfs/dbraw/zinc/20/70/01/569207001.db2.gz JJZWQJXLFLTGNE-DVECYGJZSA-N 0 3 443.613 2.951 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248105491 569207147 /nfs/dbraw/zinc/20/71/47/569207147.db2.gz LHAIHZNXGFPJCX-IECBHUPTSA-N 0 3 443.613 2.950 40 0 IFABHN COc1ccc(OC)c(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219498 569224848 /nfs/dbraw/zinc/22/48/48/569224848.db2.gz ZQDBHTMQFGVKIS-GOSISDBHSA-N 0 3 437.544 2.964 40 0 IFABHN COc1ccc(OC)c(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219499 569224932 /nfs/dbraw/zinc/22/49/32/569224932.db2.gz ZQDBHTMQFGVKIS-SFHVURJKSA-N 0 3 437.544 2.964 40 0 IFABHN CC(C)(C)C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699447 569230544 /nfs/dbraw/zinc/23/05/44/569230544.db2.gz OAOABDWJPKHMGF-UHFFFAOYSA-N 0 3 426.561 2.610 40 0 IFABHN CC(C)(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699972 569231014 /nfs/dbraw/zinc/23/10/14/569231014.db2.gz XMVQYXGRBVTIMJ-HXUWFJFHSA-N 0 3 440.588 2.653 40 0 IFABHN CC(C)(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699973 569231024 /nfs/dbraw/zinc/23/10/24/569231024.db2.gz XMVQYXGRBVTIMJ-FQEVSTJZSA-N 0 3 440.588 2.653 40 0 IFABHN Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 ZINC000038216545 569257751 /nfs/dbraw/zinc/25/77/51/569257751.db2.gz CNDWYHFPURVHGP-UHFFFAOYSA-N 0 3 432.565 2.631 40 0 IFABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516530 569288327 /nfs/dbraw/zinc/28/83/27/569288327.db2.gz TXNPCUZOXBUYCO-WOIUINJBSA-N 0 3 432.542 2.857 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218179035 569456603 /nfs/dbraw/zinc/45/66/03/569456603.db2.gz PDXCEXPRYLTROM-HBFSDRIKSA-N 0 3 437.901 2.517 40 0 IFABHN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880270 291341972 /nfs/dbraw/zinc/34/19/72/291341972.db2.gz HBKCNIMWFBSVRR-ONTIZHBOSA-N 0 3 435.634 2.887 40 0 biogenic,in-vitro IFABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000020503902 291350040 /nfs/dbraw/zinc/35/00/40/291350040.db2.gz GOVXHNZQNSCERO-IRFCIJBXSA-N 0 3 440.617 2.797 40 0 biogenic,in-vitro IFABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000003838678 291350139 /nfs/dbraw/zinc/35/01/39/291350139.db2.gz QUWJVDCMABIFFK-BKULYWANSA-N 0 3 431.540 2.884 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012162973 519559393 /nfs/dbraw/zinc/55/93/93/519559393.db2.gz FCRIDGYCOYMMEJ-VAXXYWNWSA-N 0 3 428.577 2.573 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674628 521280456 /nfs/dbraw/zinc/28/04/56/521280456.db2.gz NDCWRDAJXXOZTG-YADHBBJMSA-N 0 3 434.540 2.519 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637086 521280751 /nfs/dbraw/zinc/28/07/51/521280751.db2.gz MOVQWURCHKZERE-WOJBJXKFSA-N 0 3 440.931 2.868 40 0 IFABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1 ZINC000020463761 524088401 /nfs/dbraw/zinc/08/84/01/524088401.db2.gz QWUGVXZCICOEDQ-LFEPYJTBSA-N 0 3 438.568 2.593 40 0 biogenic,in-vitro IFABHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000012710721 524538181 /nfs/dbraw/zinc/53/81/81/524538181.db2.gz QIUAOVYOBIOEEI-UHFFFAOYSA-N 0 3 438.484 2.861 40 0 IFABHN CCOc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010111583 556325907 /nfs/dbraw/zinc/32/59/07/556325907.db2.gz UXQRASNZBRRFCO-UHFFFAOYSA-N 0 3 439.965 2.612 40 0 IFABHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030947427 556517580 /nfs/dbraw/zinc/51/75/80/556517580.db2.gz KEPBNTRFOSXBTO-LJQANCHMSA-N 0 3 445.560 2.877 40 0 IFABHN O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O)N1CCN2CCC[C@H]2C1 ZINC000036621456 556530211 /nfs/dbraw/zinc/53/02/11/556530211.db2.gz YGAZCYVPNPJDSH-INIZCTEOSA-N 0 3 433.503 2.947 40 0 IFABHN CCOc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013647017 556544273 /nfs/dbraw/zinc/54/42/73/556544273.db2.gz RRBGYPRKXKTVEO-UHFFFAOYSA-N 0 3 439.965 2.612 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 ZINC000019234504 556718838 /nfs/dbraw/zinc/71/88/38/556718838.db2.gz FFUCCAFLGOLPSU-HSZRJFAPSA-N 0 3 444.597 2.724 40 0 IFABHN COc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCC(O)(Cn2ccnc2C)CC1 ZINC000019287833 556728445 /nfs/dbraw/zinc/72/84/45/556728445.db2.gz OCHYEYXODIVSOG-OAQYLSRUSA-N 0 3 426.561 2.608 40 0 IFABHN O=C(Cc1cc(F)ccc1F)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293031 556732600 /nfs/dbraw/zinc/73/26/00/556732600.db2.gz NGFACGAYYDZZFI-OAHLLOKOSA-N 0 3 442.510 2.907 40 0 IFABHN O=C(Cc1cc(F)ccc1F)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293031 556732605 /nfs/dbraw/zinc/73/26/05/556732605.db2.gz NGFACGAYYDZZFI-OAHLLOKOSA-N 0 3 442.510 2.907 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019339121 556739491 /nfs/dbraw/zinc/73/94/91/556739491.db2.gz LQRQWEXVYHHVOT-QGZVFWFLSA-N 0 3 435.553 2.805 40 0 IFABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019572437 556812836 /nfs/dbraw/zinc/81/28/36/556812836.db2.gz KHZKDBANXOVLPR-QFIPXVFZSA-N 0 3 448.560 2.555 40 0 IFABHN COC(=O)c1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000019592537 556828550 /nfs/dbraw/zinc/82/85/50/556828550.db2.gz MMGZPIBMIRBCQL-UHFFFAOYSA-N 0 3 439.537 2.786 40 0 IFABHN CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(CCCc3ccccc3)CC1)C2=O ZINC000019699372 556858531 /nfs/dbraw/zinc/85/85/31/556858531.db2.gz QBJAXMKTNRZLFN-UHFFFAOYSA-N 0 3 440.588 2.653 40 0 IFABHN O=C(c1ccccc1)N1CC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019700764 556860148 /nfs/dbraw/zinc/86/01/48/556860148.db2.gz UIWDIRAQUGSKQH-JOCHJYFZSA-N 0 3 446.551 2.530 40 0 IFABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)C2 ZINC000019707304 556866560 /nfs/dbraw/zinc/86/65/60/556866560.db2.gz TZLOVQVJTBRQQR-LJQANCHMSA-N 0 3 439.535 2.715 40 0 IFABHN CCN(CC)CC(=O)N1CCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019744332 556890442 /nfs/dbraw/zinc/89/04/42/556890442.db2.gz NXJPJDXXJAFSKX-OAQYLSRUSA-N 0 3 435.572 2.922 40 0 IFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335571 556908612 /nfs/dbraw/zinc/90/86/12/556908612.db2.gz QNUMIIOHSBFBEM-ULQDDVLXSA-N 0 3 440.544 2.761 40 0 IFABHN C[C@@H]1Cc2cc(CN3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)ccc2O1 ZINC000019765804 556910855 /nfs/dbraw/zinc/91/08/55/556910855.db2.gz INZDFSGZSNKCCK-QGZVFWFLSA-N 0 3 436.556 2.839 40 0 IFABHN CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000072337885 556910904 /nfs/dbraw/zinc/91/09/04/556910904.db2.gz FCRIDGYCOYMMEJ-NRYAXDJKSA-N 0 3 428.577 2.573 40 0 IFABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293014 556999546 /nfs/dbraw/zinc/99/95/46/556999546.db2.gz QNUMIIOHSBFBEM-ZACQAIPSSA-N 0 3 440.544 2.761 40 0 IFABHN Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096083085 557168574 /nfs/dbraw/zinc/16/85/74/557168574.db2.gz OWJLIACUIRMBPD-BVAGGSTKSA-N 0 3 449.599 2.609 40 0 IFABHN Cc1ccccc1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145915 557176024 /nfs/dbraw/zinc/17/60/24/557176024.db2.gz BNNYFCNWSCUUCD-VXKWHMMOSA-N 0 3 443.613 2.973 40 0 IFABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C(=O)N1CCCCC1 ZINC000010111272 557204058 /nfs/dbraw/zinc/20/40/58/557204058.db2.gz DHIAESAXOIVCNI-UHFFFAOYSA-N 0 3 437.606 2.866 40 0 IFABHN CN(C)c1ncncc1N1CC[C@](O)(CN(C)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000585269590 557213054 /nfs/dbraw/zinc/21/30/54/557213054.db2.gz AEIBEZOKWZTFCX-VWLOTQADSA-N 0 3 448.571 2.590 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281832 557220142 /nfs/dbraw/zinc/22/01/42/557220142.db2.gz BXLMZLNYDUITRN-HSZRJFAPSA-N 0 3 440.531 2.834 40 0 IFABHN Cc1cc(OC[C@@]2(O)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl ZINC000585282083 557221193 /nfs/dbraw/zinc/22/11/93/557221193.db2.gz XNGGMZSGOXPHES-HXUWFJFHSA-N 0 3 430.998 2.587 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282509 557221666 /nfs/dbraw/zinc/22/16/66/557221666.db2.gz LSJYPJXNDJVQSB-HSZRJFAPSA-N 0 3 436.499 2.548 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)cc1 ZINC000585284880 557224560 /nfs/dbraw/zinc/22/45/60/557224560.db2.gz ADAFHQAHTPXTRL-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(c3ccccc3)CC2)C1 ZINC000585290645 557227968 /nfs/dbraw/zinc/22/79/68/557227968.db2.gz RYQLFYRNQGMZGC-VWNXMTODSA-N 0 3 428.960 2.696 40 0 IFABHN CCCN(CCC)CCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002493994 557242878 /nfs/dbraw/zinc/24/28/78/557242878.db2.gz MFAHNDNSXIGMOE-UHFFFAOYSA-N 0 3 446.411 2.758 40 0 IFABHN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553420 557500557 /nfs/dbraw/zinc/50/05/57/557500557.db2.gz WILLQERCGGMVNI-FGZHOGPDSA-N 0 3 426.565 2.510 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000019632744 557502045 /nfs/dbraw/zinc/50/20/45/557502045.db2.gz HCCYBOLXZWVINL-VQTJNVASSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 ZINC000019632754 557502068 /nfs/dbraw/zinc/50/20/68/557502068.db2.gz HCCYBOLXZWVINL-PMACEKPBSA-N 0 3 440.931 2.868 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224384380 557599941 /nfs/dbraw/zinc/59/99/41/557599941.db2.gz OMVUAMPQIYYLEU-UHFFFAOYSA-N 0 3 427.570 2.795 40 0 IFABHN CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1 ZINC000224822116 557655645 /nfs/dbraw/zinc/65/56/45/557655645.db2.gz IUIIVWIMERREEV-UHFFFAOYSA-N 0 3 444.601 2.602 40 0 IFABHN CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1OC ZINC000224830128 557656413 /nfs/dbraw/zinc/65/64/13/557656413.db2.gz QJJYOWSPMGPOSE-UHFFFAOYSA-N 0 3 431.558 2.519 40 0 IFABHN CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)Oc2ccccc21 ZINC000224835684 557656934 /nfs/dbraw/zinc/65/69/34/557656934.db2.gz GDJXGXQBPKIJQB-QFIPXVFZSA-N 0 3 443.569 2.516 40 0 IFABHN CN(c1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1)S(C)(=O)=O ZINC000224851588 557658845 /nfs/dbraw/zinc/65/88/45/557658845.db2.gz UPBBSDRAPNEIEI-UHFFFAOYSA-N 0 3 445.585 2.764 40 0 IFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000585269800 568616730 /nfs/dbraw/zinc/61/67/30/568616730.db2.gz KGFMNFTWSVGJSI-OAQYLSRUSA-N 0 3 442.556 2.958 40 0 IFABHN COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 ZINC000585271010 568617520 /nfs/dbraw/zinc/61/75/20/568617520.db2.gz CVODPZJTSPBKKR-OAQYLSRUSA-N 0 3 436.593 2.548 40 0 IFABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585285923 568619068 /nfs/dbraw/zinc/61/90/68/568619068.db2.gz FFGVLQNQJHQNGL-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN CC(=O)N(C)[C@@H]1CCOC2(CCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CC2)C1 ZINC000257285002 568704410 /nfs/dbraw/zinc/70/44/10/568704410.db2.gz PFFKRZUOMPFKPK-HSZRJFAPSA-N 0 3 441.616 2.960 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218214797 568740714 /nfs/dbraw/zinc/74/07/14/568740714.db2.gz NUQIJOGDLJPESP-AOIWGVFYSA-N 0 3 438.343 2.897 40 0 IFABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000218238782 568740985 /nfs/dbraw/zinc/74/09/85/568740985.db2.gz DTWOKSAOLIYTED-HZPDHXFCSA-N 0 3 429.767 2.946 40 0 IFABHN NCC1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238846 568741062 /nfs/dbraw/zinc/74/10/62/568741062.db2.gz DTWOKSAOLIYTED-JKSUJKDBSA-N 0 3 429.767 2.946 40 0 IFABHN O=C(NCCc1ccccn1)c1cn2c(nc1=O)C1(CC2)CCN(Cc2ccccc2)CC1 ZINC000306132184 568767184 /nfs/dbraw/zinc/76/71/84/568767184.db2.gz LBBUZXSZFROQCT-UHFFFAOYSA-N 0 3 443.551 2.548 40 0 IFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133231 568767604 /nfs/dbraw/zinc/76/76/04/568767604.db2.gz MGBCMGLUDXOWNN-AOYPEHQESA-N 0 3 444.535 2.882 40 0 IFABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 ZINC000306142521 568772623 /nfs/dbraw/zinc/77/26/23/568772623.db2.gz XBROGZWMQVUKDS-JOCHJYFZSA-N 0 3 430.574 2.530 40 0 IFABHN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000000930089 568858921 /nfs/dbraw/zinc/85/89/21/568858921.db2.gz LTTLHZSHVOGAMK-UGKGYDQZSA-N 0 3 433.560 2.808 40 0 IFABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000575424950 568864886 /nfs/dbraw/zinc/86/48/86/568864886.db2.gz CSKCKEGWAYNQRS-QGZVFWFLSA-N 0 3 437.027 2.558 40 0 IFABHN COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 ZINC000012219512 569224811 /nfs/dbraw/zinc/22/48/11/569224811.db2.gz ALJRRBXMDIXKMA-LJQANCHMSA-N 0 3 437.544 2.964 40 0 IFABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1 ZINC000019458700 569226656 /nfs/dbraw/zinc/22/66/56/569226656.db2.gz YLCQTVRZVARRAE-ZGNKEGEESA-N 0 3 440.540 2.973 40 0 IFABHN Cc1cc(=O)n(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)c2ccccc12 ZINC000019760343 569237538 /nfs/dbraw/zinc/23/75/38/569237538.db2.gz WIOLDCJPUPDLBG-FQEVSTJZSA-N 0 3 448.571 2.639 40 0 IFABHN Cc1nc2c(C)cccn2c1CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 ZINC000019765755 569239084 /nfs/dbraw/zinc/23/90/84/569239084.db2.gz CGOMSAKDCUQLQG-UHFFFAOYSA-N 0 3 448.571 2.780 40 0 IFABHN O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000026111777 569242104 /nfs/dbraw/zinc/24/21/04/569242104.db2.gz KIBXGFBINFPTMH-UHFFFAOYSA-N 0 3 435.634 2.653 40 0 IFABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O ZINC000019699652 569327003 /nfs/dbraw/zinc/32/70/03/569327003.db2.gz WPBHDOYBMSLLAL-JOCHJYFZSA-N 0 3 446.551 2.878 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218179261 569456639 /nfs/dbraw/zinc/45/66/39/569456639.db2.gz PDXCEXPRYLTROM-CMKODMSKSA-N 0 3 437.901 2.517 40 0 IFABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)c2ccccc2)C3)CC1 ZINC000072345764 519673248 /nfs/dbraw/zinc/67/32/48/519673248.db2.gz AFUGLDKNSWRIPH-QFIPXVFZSA-N 0 3 441.597 2.735 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801574 521092841 /nfs/dbraw/zinc/09/28/41/521092841.db2.gz VDVSVDWZNRJAPU-LEWJYISDSA-N 0 3 438.503 2.663 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637089 521093487 /nfs/dbraw/zinc/09/34/87/521093487.db2.gz MOVQWURCHKZERE-VQTJNVASSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637094 521093509 /nfs/dbraw/zinc/09/35/09/521093509.db2.gz MOVQWURCHKZERE-PMACEKPBSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801470 521279808 /nfs/dbraw/zinc/27/98/08/521279808.db2.gz RTQZSXIMYZPWRP-RTWAWAEBSA-N 0 3 438.503 2.663 40 0 IFABHN O=c1[nH]c2c(cc1CNCCN1CCOCC1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000022795227 527441452 /nfs/dbraw/zinc/44/14/52/527441452.db2.gz HBOPXPCOGLJDNK-UHFFFAOYSA-N 0 3 447.514 2.942 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000029839101 556483806 /nfs/dbraw/zinc/48/38/06/556483806.db2.gz DFFGMVLTHCMIPP-UHFFFAOYSA-N 0 3 427.570 2.649 40 0 IFABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947261 556517451 /nfs/dbraw/zinc/51/74/51/556517451.db2.gz NKFWBUHPIWAVML-FQEVSTJZSA-N 0 3 445.560 2.571 40 0 IFABHN Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019210475 556708836 /nfs/dbraw/zinc/70/88/36/556708836.db2.gz YZYUJQVZJIJIEN-FQEVSTJZSA-N 0 3 430.574 2.512 40 0 IFABHN Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019210475 556708837 /nfs/dbraw/zinc/70/88/37/556708837.db2.gz YZYUJQVZJIJIEN-FQEVSTJZSA-N 0 3 430.574 2.512 40 0 IFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448198 556757604 /nfs/dbraw/zinc/75/76/04/556757604.db2.gz BLEVLBKHQRNMQF-LJQANCHMSA-N 0 3 434.537 2.591 40 0 IFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448198 556757606 /nfs/dbraw/zinc/75/76/06/556757606.db2.gz BLEVLBKHQRNMQF-LJQANCHMSA-N 0 3 434.537 2.591 40 0 IFABHN COc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCC(=O)N3)c1 ZINC000019566062 556806637 /nfs/dbraw/zinc/80/66/37/556806637.db2.gz OBBJMGNFGWTNFP-WIOPSUGQSA-N 0 3 436.556 2.565 40 0 IFABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000019572453 556812805 /nfs/dbraw/zinc/81/28/05/556812805.db2.gz PEGZIOFUUMPCBD-JOCHJYFZSA-N 0 3 445.585 2.618 40 0 IFABHN O=C(CCN1CCC([C@@H]2CC=CCN(CCc3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000019698374 556856413 /nfs/dbraw/zinc/85/64/13/556856413.db2.gz GKGQNEDUFXQACB-DEOSSOPVSA-N 0 3 439.600 2.595 40 0 IFABHN CCN(CC)CC(=O)N(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019698651 556857400 /nfs/dbraw/zinc/85/74/00/556857400.db2.gz QDXZSGDAZSFMDV-UHFFFAOYSA-N 0 3 427.524 2.704 40 0 IFABHN Cc1ccc(CN2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)cc1C ZINC000019699388 556858628 /nfs/dbraw/zinc/85/86/28/556858628.db2.gz XOYHNLKVPQJWAF-UHFFFAOYSA-N 0 3 440.588 2.837 40 0 IFABHN CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3C)CC1)C2=O ZINC000019699508 556858848 /nfs/dbraw/zinc/85/88/48/556858848.db2.gz UFAOSBLOAQAGFY-UHFFFAOYSA-N 0 3 428.533 2.502 40 0 IFABHN CC(C)(C)CN1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699632 556859418 /nfs/dbraw/zinc/85/94/18/556859418.db2.gz QCVARVVXUXXMJF-LJQANCHMSA-N 0 3 426.561 2.724 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)c1c(OC)cccc1OC)CC2 ZINC000019710492 556873404 /nfs/dbraw/zinc/87/34/04/556873404.db2.gz TUYNTSVYSBZMMO-UHFFFAOYSA-N 0 3 425.533 2.543 40 0 IFABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)nc2c1CCC(=O)N2C1CCCC1 ZINC000019739529 556878326 /nfs/dbraw/zinc/87/83/26/556878326.db2.gz LOHKMGHMKFEFIR-UHFFFAOYSA-N 0 3 425.577 2.809 40 0 IFABHN COc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1CO ZINC000072337253 556910261 /nfs/dbraw/zinc/91/02/61/556910261.db2.gz OKLNBJZBQYSSKN-UHFFFAOYSA-N 0 3 426.561 2.811 40 0 IFABHN Cc1nc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765856 556910725 /nfs/dbraw/zinc/91/07/25/556910725.db2.gz VHDIWUSJUVFHGO-OAQYLSRUSA-N 0 3 435.572 2.763 40 0 IFABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCC2 ZINC000072392637 556963856 /nfs/dbraw/zinc/96/38/56/556963856.db2.gz CGMPZCUSZJJFQF-WPSZSDGUSA-N 0 3 425.529 2.721 40 0 IFABHN O=C(C1CCOCC1)N1CCc2nc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072398752 556970704 /nfs/dbraw/zinc/97/07/04/556970704.db2.gz WOQDVHYUYIPKPY-GOSISDBHSA-N 0 3 440.588 2.617 40 0 IFABHN COc1ccc(CCC(=O)N2CCC[C@@]3(CCCN3CC(=O)N(C)C)CC2)c(OC)c1 ZINC000585100093 557033799 /nfs/dbraw/zinc/03/37/99/557033799.db2.gz FQGKOVOTVWUQEH-XMMPIXPASA-N 0 3 431.577 2.572 40 0 IFABHN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036580 557163785 /nfs/dbraw/zinc/16/37/85/557163785.db2.gz INWIIYLOCDYKIR-DEOSSOPVSA-N 0 3 428.577 2.513 40 0 IFABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 ZINC000096052919 557166410 /nfs/dbraw/zinc/16/64/10/557166410.db2.gz AVAURYOKNZWZGS-HXUWFJFHSA-N 0 3 427.589 2.529 40 0 IFABHN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cccnc3)C[C@H]12 ZINC000096262202 557189661 /nfs/dbraw/zinc/18/96/61/557189661.db2.gz PYPNTKGIJJUVAT-VQTJNVASSA-N 0 3 439.947 2.980 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025015311 557189665 /nfs/dbraw/zinc/18/96/65/557189665.db2.gz PCJCJTGUULEXLT-JOCHJYFZSA-N 0 3 441.597 2.652 40 0 IFABHN CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273034 557215524 /nfs/dbraw/zinc/21/55/24/557215524.db2.gz QIDFFBCPQNGVSZ-QHCPKHFHSA-N 0 3 434.964 2.923 40 0 IFABHN CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274080 557217953 /nfs/dbraw/zinc/21/79/53/557217953.db2.gz VTANSASWNUEIAY-HSZRJFAPSA-N 0 3 434.964 2.923 40 0 IFABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 ZINC000585274205 557218465 /nfs/dbraw/zinc/21/84/65/557218465.db2.gz UPCYHQTYSSHELV-QHCPKHFHSA-N 0 3 428.573 2.886 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281833 557220139 /nfs/dbraw/zinc/22/01/39/557220139.db2.gz BXLMZLNYDUITRN-QHCPKHFHSA-N 0 3 440.531 2.834 40 0 IFABHN O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000585282107 557221160 /nfs/dbraw/zinc/22/11/60/557221160.db2.gz XSWFFIPUPGJZGR-VWLOTQADSA-N 0 3 426.557 2.804 40 0 IFABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccc(C)cc4)CC3)CC[C@@H]2O)cc1 ZINC000585281985 557221224 /nfs/dbraw/zinc/22/12/24/557221224.db2.gz DQANNTWBYIKLNN-AHWVRZQESA-N 0 3 440.584 2.511 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585283161 557222821 /nfs/dbraw/zinc/22/28/21/557222821.db2.gz QMCVAOYCDWDPAQ-AHWVRZQESA-N 0 3 440.584 2.511 40 0 IFABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 ZINC000223130027 557436245 /nfs/dbraw/zinc/43/62/45/557436245.db2.gz CVDWINXPOYYBFC-FCHUYYIVSA-N 0 3 434.569 2.572 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000017102216 557490992 /nfs/dbraw/zinc/49/09/92/557490992.db2.gz LAQKGFKJWVBQDK-SFTDATJTSA-N 0 3 438.503 2.663 40 0 IFABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2C)cc1 ZINC000224226626 557577600 /nfs/dbraw/zinc/57/76/00/557577600.db2.gz GHPCFCAKCCVEED-UHFFFAOYSA-N 0 3 431.558 2.653 40 0 IFABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)NC(C)C ZINC000224781218 557650697 /nfs/dbraw/zinc/65/06/97/557650697.db2.gz BPZYBDYXRDCOAV-UHFFFAOYSA-N 0 3 445.585 2.908 40 0 IFABHN Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585287825 568619501 /nfs/dbraw/zinc/61/95/01/568619501.db2.gz SPPUKAFVJVWAQG-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cc2c(cc1CN1C[C@@H](c3ccccc3F)[C@]3(C1)CCCC(=O)N3)n(C)c(=O)n2C ZINC000257250356 568688594 /nfs/dbraw/zinc/68/85/94/568688594.db2.gz JMFDYFMRGWUGHG-UQBPGWFLSA-N 0 3 436.531 2.963 40 0 IFABHN Cc1nc2cc([C@@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257251341 568689391 /nfs/dbraw/zinc/68/93/91/568689391.db2.gz JQJFUIHYSSIIOO-OAQYLSRUSA-N 0 3 448.571 2.522 40 0 IFABHN Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257254714 568690620 /nfs/dbraw/zinc/69/06/20/568690620.db2.gz KEIRAGLHFWYQIJ-OAQYLSRUSA-N 0 3 448.571 2.522 40 0 IFABHN Cc1ncccc1O[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2OCC(N)=O)CC[C@@H]1O ZINC000257306464 568714212 /nfs/dbraw/zinc/71/42/12/568714212.db2.gz SUIVISCMUBEMHV-REWPJTCUSA-N 0 3 441.572 2.956 40 0 IFABHN Cc1cc(C(=O)N2CC[C@@](O)(CN(C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 ZINC000257326395 568722866 /nfs/dbraw/zinc/72/28/66/568722866.db2.gz WXBMLAZOWYIILB-XMMPIXPASA-N 0 3 441.551 2.623 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@@H](N3)NCN[C@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000604940868 568754767 /nfs/dbraw/zinc/75/47/67/568754767.db2.gz FZKTWZZPPTUYSG-LUNJLAKLSA-N 0 3 448.659 2.628 40 0 IFABHN O=C(C1CCC1)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306125883 568763951 /nfs/dbraw/zinc/76/39/51/568763951.db2.gz DEPQVUGGOJDVOK-UHFFFAOYSA-N 0 3 432.568 2.767 40 0 IFABHN Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306127783 568765001 /nfs/dbraw/zinc/76/50/01/568765001.db2.gz GHLMCGKUXZZKNQ-VWLOTQADSA-N 0 3 438.572 2.777 40 0 IFABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128782 568765535 /nfs/dbraw/zinc/76/55/35/568765535.db2.gz HKGAYZMTQAKJJD-ZJSXRUAMSA-N 0 3 433.560 2.611 40 0 IFABHN O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCCN(CCc3ccccc3)C2)O1 ZINC000306139157 568771035 /nfs/dbraw/zinc/77/10/35/568771035.db2.gz SQUIQHJNAWYKDJ-DNQXCXABSA-N 0 3 444.597 2.599 40 0 IFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000306139725 568771356 /nfs/dbraw/zinc/77/13/56/568771356.db2.gz TYOHPUCQYWPHBZ-XMMPIXPASA-N 0 3 432.480 2.590 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 ZINC000306139899 568771550 /nfs/dbraw/zinc/77/15/50/568771550.db2.gz UDPWPLOCSALNGT-MSOLQXFVSA-N 0 3 435.532 2.621 40 0 IFABHN CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141640 568772446 /nfs/dbraw/zinc/77/24/46/568772446.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 0 3 434.584 2.796 40 0 IFABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142572 568772713 /nfs/dbraw/zinc/77/27/13/568772713.db2.gz XDNHAUNNAALRLY-UKILVPOCSA-N 0 3 429.524 2.577 40 0 IFABHN CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306143859 568773448 /nfs/dbraw/zinc/77/34/48/568773448.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 0 3 427.614 2.745 40 0 IFABHN CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306143856 568773494 /nfs/dbraw/zinc/77/34/94/568773494.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 0 3 427.614 2.745 40 0 IFABHN O=S1(=O)C[C@H](O)[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000575420926 568863050 /nfs/dbraw/zinc/86/30/50/568863050.db2.gz LBDSYOHBVGGFRW-UXHICEINSA-N 0 3 443.396 2.743 40 0 IFABHN O=C(C1CCCC1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699881 569230895 /nfs/dbraw/zinc/23/08/95/569230895.db2.gz OFLHUTCHBPTQNC-NRFANRHFSA-N 0 3 438.572 2.754 40 0 IFABHN CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699962 569231018 /nfs/dbraw/zinc/23/10/18/569231018.db2.gz ANISMXYTEOJNML-OAQYLSRUSA-N 0 3 440.588 2.653 40 0 IFABHN CC(C)(C)C(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700718 569231296 /nfs/dbraw/zinc/23/12/96/569231296.db2.gz OQNSVHWQMRNMSY-UHFFFAOYSA-N 0 3 440.588 2.858 40 0 IFABHN CN(C)CCCNc1nc(-c2ccccn2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000328972698 569582872 /nfs/dbraw/zinc/58/28/72/569582872.db2.gz DYDJZWMYGMRCSB-UHFFFAOYSA-N 0 3 442.549 3.110 40 0 IFABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171774 291341580 /nfs/dbraw/zinc/34/15/80/291341580.db2.gz KWZBNZLKEWWQKK-SFTDATJTSA-N 0 3 435.572 2.883 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4ccccc4)c23)CC1 ZINC000008300413 291340005 /nfs/dbraw/zinc/34/00/05/291340005.db2.gz LEXNHTQTJJPFLA-AZUAARDMSA-N 0 3 434.540 2.531 40 0 biogenic,in-vitro IFABHN CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCN(c3ccccc3)CC2)CC[C@@H]1O ZINC000030878631 291343441 /nfs/dbraw/zinc/34/34/41/291343441.db2.gz CPUAEVNUBTZPJL-SDHOMARFSA-N 0 3 437.584 2.766 40 0 biogenic,in-vitro IFABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccccc3)nn2)cc1 ZINC000008297720 291346190 /nfs/dbraw/zinc/34/61/90/291346190.db2.gz JXPYGXXTVTUUDQ-XJUOHMSHSA-N 0 3 431.540 2.981 40 0 biogenic,in-vitro IFABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)c1 ZINC000008254453 291349407 /nfs/dbraw/zinc/34/94/07/291349407.db2.gz TXXGRCSCHZRUSU-WTOYTKOKSA-N 0 3 434.519 2.693 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 ZINC000012163021 519559863 /nfs/dbraw/zinc/55/98/63/519559863.db2.gz KDIZNYQYEANHKF-RCZVLFRGSA-N 0 3 440.588 2.719 40 0 IFABHN CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2)C3)CC1 ZINC000072345763 519673042 /nfs/dbraw/zinc/67/30/42/519673042.db2.gz AFUGLDKNSWRIPH-JOCHJYFZSA-N 0 3 441.597 2.735 40 0 IFABHN CC1(C)C[C@H](NCc2ccc(CO)o2)[C@@]2(CCC(=O)N3CCOCC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531482 520556086 /nfs/dbraw/zinc/55/60/86/520556086.db2.gz YEAUOUTYMJDVMD-NBMBROAQSA-N 0 3 448.604 2.837 40 0 biogenic,in-vitro IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801571 521281178 /nfs/dbraw/zinc/28/11/78/521281178.db2.gz VDVSVDWZNRJAPU-NHCUHLMSSA-N 0 3 438.503 2.663 40 0 IFABHN C[C@H](C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1)N1C(=O)NC(C)(C)C1=O ZINC000012187179 526034530 /nfs/dbraw/zinc/03/45/30/526034530.db2.gz WZDMUFUEPGJALX-OAHLLOKOSA-N 0 3 446.979 2.671 40 0 IFABHN [NH2+]=C(Nc1ccc(F)cc1)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[n-]1 ZINC000009935221 556318644 /nfs/dbraw/zinc/31/86/44/556318644.db2.gz LXJHHLHTMLUJJC-UHFFFAOYSA-N 0 3 437.464 2.636 40 0 IFABHN CCOc1cc(CNCCCN2CCOCC2)cc(I)c1OC ZINC000036612756 556511139 /nfs/dbraw/zinc/51/11/39/556511139.db2.gz KETUMSQGHQZNAL-UHFFFAOYSA-N 0 3 434.318 2.510 40 0 IFABHN CN(C)CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013649617 556545293 /nfs/dbraw/zinc/54/52/93/556545293.db2.gz KGXOIXBLWITVIF-UHFFFAOYSA-N 0 3 430.357 2.867 40 0 IFABHN COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133891 556705311 /nfs/dbraw/zinc/70/53/11/556705311.db2.gz NJYDQXKRYYWSNB-IBGZPJMESA-N 0 3 436.556 2.761 40 0 IFABHN COc1cc(C)ccc1C[N@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133891 556705313 /nfs/dbraw/zinc/70/53/13/556705313.db2.gz NJYDQXKRYYWSNB-IBGZPJMESA-N 0 3 436.556 2.761 40 0 IFABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019345595 556742661 /nfs/dbraw/zinc/74/26/61/556742661.db2.gz MEZAQIZJHKMUSI-WOJBJXKFSA-N 0 3 427.497 2.938 40 0 IFABHN COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)on1 ZINC000019448333 556757367 /nfs/dbraw/zinc/75/73/67/556757367.db2.gz OPQKEYXPTUAKEU-GOSISDBHSA-N 0 3 429.521 2.632 40 0 IFABHN COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)on1 ZINC000019448333 556757373 /nfs/dbraw/zinc/75/73/73/556757373.db2.gz OPQKEYXPTUAKEU-GOSISDBHSA-N 0 3 429.521 2.632 40 0 IFABHN C[C@@H]1CN(c2nccc(CN3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@@H](C)O1 ZINC000019497685 556770326 /nfs/dbraw/zinc/77/03/26/556770326.db2.gz LOOUJUZVQXJWHC-IAGOWNOFSA-N 0 3 434.548 2.650 40 0 IFABHN C[C@H]1CN(c2nccc(CN3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@H](C)O1 ZINC000019497687 556770384 /nfs/dbraw/zinc/77/03/84/556770384.db2.gz LOOUJUZVQXJWHC-IRXDYDNUSA-N 0 3 434.548 2.650 40 0 IFABHN CN(C)C(=O)[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O ZINC000019581371 556819222 /nfs/dbraw/zinc/81/92/22/556819222.db2.gz VQMWUZVCROOTDB-HYBUGGRVSA-N 0 3 426.488 2.876 40 0 IFABHN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 ZINC000019694656 556850822 /nfs/dbraw/zinc/85/08/22/556850822.db2.gz LFFPOKYYULIOOC-IBGZPJMESA-N 0 3 441.551 2.777 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccc(F)c(C)c1)C2 ZINC000019710903 556874867 /nfs/dbraw/zinc/87/48/67/556874867.db2.gz KWUHQERSGISBOA-UHFFFAOYSA-N 0 3 433.553 2.522 40 0 IFABHN Cc1nc([C@@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741271 556883090 /nfs/dbraw/zinc/88/30/90/556883090.db2.gz SBGXXSGPXRGZCG-HXUWFJFHSA-N 0 3 435.572 2.752 40 0 IFABHN O=C(CCN1CCOCC1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000019745174 556892036 /nfs/dbraw/zinc/89/20/36/556892036.db2.gz QGRDXOYKPFPTPR-UHFFFAOYSA-N 0 3 448.571 2.998 40 0 IFABHN Cc1cc2c(cc1CN1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C ZINC000019757652 556901584 /nfs/dbraw/zinc/90/15/84/556901584.db2.gz IPVPJAUIFYMOOH-SFHVURJKSA-N 0 3 448.571 2.509 40 0 IFABHN COc1ccc(CN2CCc3c(=O)[n-]c(-c4cccnc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000072336820 556909420 /nfs/dbraw/zinc/90/94/20/556909420.db2.gz MSTUAUVFUQZEER-UHFFFAOYSA-N 0 3 431.540 2.995 40 0 IFABHN COc1cc(CN2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353450 556926917 /nfs/dbraw/zinc/92/69/17/556926917.db2.gz JEMRRNQXROOUQP-SFHVURJKSA-N 0 3 448.527 2.868 40 0 IFABHN O=C(C1CCOCC1)N1CCc2nc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)[n-]c(=O)c2C1 ZINC000072398753 556970699 /nfs/dbraw/zinc/97/06/99/556970699.db2.gz WOQDVHYUYIPKPY-SFHVURJKSA-N 0 3 440.588 2.617 40 0 IFABHN O=C(C1CCOCC1)N1CCc2nc(C3CC[NH+](Cc4ccsc4)CC3)[n-]c(=O)c2C1 ZINC000072399019 556971461 /nfs/dbraw/zinc/97/14/61/556971461.db2.gz SWVLDZCRUMWTLN-UHFFFAOYSA-N 0 3 442.585 2.522 40 0 IFABHN Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)c1 ZINC000585107183 557038370 /nfs/dbraw/zinc/03/83/70/557038370.db2.gz QSLKWQIHAFTOPV-ZEQKJWHPSA-N 0 3 435.568 2.702 40 0 IFABHN O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)[C@@H]1CN(Cc3cc(F)ccc3F)C[C@@H]12 ZINC000585106334 557039873 /nfs/dbraw/zinc/03/98/73/557039873.db2.gz WVRMKSUSHCZJJQ-MOPGFXCFSA-N 0 3 445.535 2.808 40 0 IFABHN COc1ncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCC3CCOCC3)C2)cc1C ZINC000585109566 557041819 /nfs/dbraw/zinc/04/18/19/557041819.db2.gz WXRBANIFEWBJKN-VSKRKVRLSA-N 0 3 431.577 2.559 40 0 IFABHN COc1cccc(NC(=O)N2CCC3(CN(Cc4cccnc4)C[C@]34CCNC4=O)CC2)c1 ZINC000096091183 557168948 /nfs/dbraw/zinc/16/89/48/557168948.db2.gz VXCKAZKUQPRRQT-VWLOTQADSA-N 0 3 449.555 2.726 40 0 IFABHN CC(C)c1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)cc1 ZINC000096243718 557187577 /nfs/dbraw/zinc/18/75/77/557187577.db2.gz IAGPNQZDPFMWFR-QFIPXVFZSA-N 0 3 438.572 2.755 40 0 IFABHN Cc1cc(C)cc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)c1 ZINC000096243765 557187753 /nfs/dbraw/zinc/18/77/53/557187753.db2.gz JHEVDUICCZUGAL-FCHUYYIVSA-N 0 3 438.572 2.685 40 0 IFABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000585261883 557197221 /nfs/dbraw/zinc/19/72/21/557197221.db2.gz IZBSCRDQLQNXMT-DEOSSOPVSA-N 0 3 426.532 2.969 40 0 IFABHN CC(=O)N[C@]12CN(CC(=O)Nc3ccc(C)c(F)c3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000585262202 557201113 /nfs/dbraw/zinc/20/11/13/557201113.db2.gz MTXLADMLFRVOTK-NQHRYMMQSA-N 0 3 438.547 2.956 40 0 IFABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000010111549 557204019 /nfs/dbraw/zinc/20/40/19/557204019.db2.gz JBAVEERLVJZXMO-UHFFFAOYSA-N 0 3 439.965 2.530 40 0 IFABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 ZINC000585270466 557214284 /nfs/dbraw/zinc/21/42/84/557214284.db2.gz KQJFJOAFTVKSKU-OAQYLSRUSA-N 0 3 442.556 2.958 40 0 IFABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 ZINC000585274201 557218381 /nfs/dbraw/zinc/21/83/81/557218381.db2.gz UPCYHQTYSSHELV-HSZRJFAPSA-N 0 3 428.573 2.886 40 0 IFABHN OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000585281589 557220166 /nfs/dbraw/zinc/22/01/66/557220166.db2.gz LYUMSFBEZAAALJ-UHFFFAOYSA-N 0 3 444.547 2.943 40 0 IFABHN Cc1cc(OC[C@]2(O)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl ZINC000585282081 557221382 /nfs/dbraw/zinc/22/13/82/557221382.db2.gz XNGGMZSGOXPHES-FQEVSTJZSA-N 0 3 430.998 2.587 40 0 IFABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585283647 557223156 /nfs/dbraw/zinc/22/31/56/557223156.db2.gz GHULUJWFEAGJRO-AHKZPQOWSA-N 0 3 436.596 2.898 40 0 IFABHN Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4C)CC3)CC[C@@H]2O)c1 ZINC000585284729 557224408 /nfs/dbraw/zinc/22/44/08/557224408.db2.gz ZKBGOPOVTZGJAR-AHWVRZQESA-N 0 3 440.584 2.511 40 0 IFABHN CN([C@@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O ZINC000224852223 557658783 /nfs/dbraw/zinc/65/87/83/557658783.db2.gz GNWMBEQZVPOVCF-JOCHJYFZSA-N 0 3 429.586 2.921 40 0 IFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)Cc1ccccc1F ZINC000224852410 557659094 /nfs/dbraw/zinc/65/90/94/557659094.db2.gz XYZRWCQGVKCPSJ-UHFFFAOYSA-N 0 3 447.576 2.890 40 0 IFABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008254150 560107931 /nfs/dbraw/zinc/10/79/31/560107931.db2.gz FYZUHBPYIPHADI-WPYKKVEZSA-N 0 3 448.596 2.992 40 0 biogenic,in-vitro IFABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000585287876 568619493 /nfs/dbraw/zinc/61/94/93/568619493.db2.gz UGSKBENCGRUGSK-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 ZINC000585287788 568619509 /nfs/dbraw/zinc/61/95/09/568619509.db2.gz RRDJYNSNVNHARE-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN c1cn2cc(C[C@H]3COCCN(Cc4ccccc4OCCN4CCCC4)C3)ncc2n1 ZINC000257235109 568681648 /nfs/dbraw/zinc/68/16/48/568681648.db2.gz GWLWGMZXELGDNM-OAQYLSRUSA-N 0 3 435.572 2.895 40 0 IFABHN CN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273266 568699067 /nfs/dbraw/zinc/69/90/67/568699067.db2.gz NFXHGBTZVLFVTI-HSZRJFAPSA-N 0 3 445.571 2.795 40 0 IFABHN CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257289109 568706189 /nfs/dbraw/zinc/70/61/89/568706189.db2.gz PWZQFSJLLBZZGY-GOTSBHOMSA-N 0 3 441.620 2.539 40 0 IFABHN Cc1ncsc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257306142 568714195 /nfs/dbraw/zinc/71/41/95/568714195.db2.gz STCHUTDDPKCROY-HFMPRLQTSA-N 0 3 442.629 2.670 40 0 IFABHN Cc1nccn1CCC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336604 568727016 /nfs/dbraw/zinc/72/70/16/568727016.db2.gz YPEMJICHJVQSCN-FQEVSTJZSA-N 0 3 434.544 2.983 40 0 IFABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218205070 568740435 /nfs/dbraw/zinc/74/04/35/568740435.db2.gz ILUHTTGVUNWCNK-GRDNDAEWSA-N 0 3 433.368 2.572 40 0 IFABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 ZINC000306123560 568762830 /nfs/dbraw/zinc/76/28/30/568762830.db2.gz AQDPBYSSCQLOIF-RUZDIDTESA-N 0 3 430.556 2.607 40 0 IFABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccoc3)CC1)CCN(Cc1cccnc1)C2 ZINC000306124449 568763241 /nfs/dbraw/zinc/76/32/41/568763241.db2.gz BPTHYIWCEBIPIC-UHFFFAOYSA-N 0 3 431.540 2.628 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccc(Cl)cc2)C1 ZINC000306130507 568766095 /nfs/dbraw/zinc/76/60/95/568766095.db2.gz JIONJBOTXJJXOB-NRFANRHFSA-N 0 3 428.945 2.716 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccc(Cl)cc2)C1 ZINC000306130508 568766218 /nfs/dbraw/zinc/76/62/18/568766218.db2.gz JIONJBOTXJJXOB-OAQYLSRUSA-N 0 3 428.945 2.716 40 0 IFABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306142469 568772615 /nfs/dbraw/zinc/77/26/15/568772615.db2.gz XABDUZURZXKZKI-UHFFFAOYSA-N 0 3 437.544 2.908 40 0 IFABHN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773158 /nfs/dbraw/zinc/77/31/58/568773158.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 0 3 449.642 2.773 40 0 IFABHN CCc1ccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)cc1 ZINC000306145112 568774174 /nfs/dbraw/zinc/77/41/74/568774174.db2.gz ZYNOJADZCLIMKC-RUZDIDTESA-N 0 3 438.572 2.723 40 0 IFABHN O=S1(=O)C[C@H](O)[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 ZINC000575422304 568863673 /nfs/dbraw/zinc/86/36/73/568863673.db2.gz UUFDUFHSMBIELB-UXHICEINSA-N 0 3 443.396 2.743 40 0 IFABHN O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 ZINC000575422303 568863829 /nfs/dbraw/zinc/86/38/29/568863829.db2.gz UUFDUFHSMBIELB-PMACEKPBSA-N 0 3 443.396 2.743 40 0 IFABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000247879833 569206360 /nfs/dbraw/zinc/20/63/60/569206360.db2.gz IJQKWVHSIMOULQ-IEXUWNMDSA-N 0 3 439.556 2.831 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000248105497 569207191 /nfs/dbraw/zinc/20/71/91/569207191.db2.gz LHAIHZNXGFPJCX-IMWIBFENSA-N 0 3 443.613 2.950 40 0 IFABHN COc1cccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC ZINC000012219524 569224791 /nfs/dbraw/zinc/22/47/91/569224791.db2.gz CRINLJYVKLZJOJ-GOSISDBHSA-N 0 3 437.544 2.964 40 0 IFABHN CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699485 569230614 /nfs/dbraw/zinc/23/06/14/569230614.db2.gz PXDZQPBHEIRAHY-UHFFFAOYSA-N 0 3 426.561 2.610 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019699954 569230911 /nfs/dbraw/zinc/23/09/11/569230911.db2.gz OKXWOPBGBBQCAT-HSZRJFAPSA-N 0 3 447.583 2.880 40 0 IFABHN Cc1ncsc1C(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000019702244 569231904 /nfs/dbraw/zinc/23/19/04/569231904.db2.gz URGGWQUJZLSMQW-CQSZACIVSA-N 0 3 443.598 2.982 40 0 IFABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516531 569288376 /nfs/dbraw/zinc/28/83/76/569288376.db2.gz TXNPCUZOXBUYCO-XQBPLPMBSA-N 0 3 432.542 2.857 40 0 IFABHN Cc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3cc(F)ccc3n21 ZINC000009971887 569298763 /nfs/dbraw/zinc/29/87/63/569298763.db2.gz YTXZQMORCGUZHV-UHFFFAOYSA-N 0 3 447.514 2.878 40 0 IFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218157214 569456524 /nfs/dbraw/zinc/45/65/24/569456524.db2.gz KFEZPHKSZLBFFM-DXIQSLLYSA-N 0 3 446.525 2.577 40 0 IFABHN CN(C)CCCNc1nc(-c2cccnc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000328984886 569582805 /nfs/dbraw/zinc/58/28/05/569582805.db2.gz HPYNKNVUVAUSLN-UHFFFAOYSA-N 0 3 442.549 3.110 40 0 IFABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)Nc4ccccc4)c23)CC1 ZINC000008300434 291340060 /nfs/dbraw/zinc/34/00/60/291340060.db2.gz PITFRHAPBTTXSE-RBUKOAKNSA-N 0 3 449.555 2.922 40 0 biogenic,in-vitro IFABHN O=C(NC1CCCCC1)[C@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878839 291349801 /nfs/dbraw/zinc/34/98/01/291349801.db2.gz LOLSSQVOHHYTCU-HJOGWXRNSA-N 0 3 429.605 2.552 40 0 biogenic,in-vitro IFABHN O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243857 193943595 /nfs/dbraw/zinc/94/35/95/193943595.db2.gz FNNPKBZLWWUURX-NRFANRHFSA-N 0 3 435.503 2.624 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801651 521280597 /nfs/dbraw/zinc/28/05/97/521280597.db2.gz YLQHYDSOFYPQGU-WOJBJXKFSA-N 0 3 440.931 2.868 40 0 IFABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)C[C@@H](O)CC2 ZINC000021981359 527182597 /nfs/dbraw/zinc/18/25/97/527182597.db2.gz ABWPQNZPAOAQSG-KRWDZBQOSA-N 0 3 426.492 2.561 40 0 in-vitro IFABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000039747373 556438448 /nfs/dbraw/zinc/43/84/48/556438448.db2.gz SGPQHJKKPABIDR-UHFFFAOYSA-N 0 3 445.560 2.571 40 0 IFABHN NC[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242543442 556571817 /nfs/dbraw/zinc/57/18/17/556571817.db2.gz KABRPIILECQRPU-BBWFWOEESA-N 0 3 430.751 2.980 40 0 IFABHN O=S(=O)([N-]C1CC[NH2+]CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F ZINC000040955762 556652352 /nfs/dbraw/zinc/65/23/52/556652352.db2.gz ITBGJNVZJBVPLJ-UHFFFAOYSA-N 0 3 448.488 2.569 40 0 in-vitro IFABHN COc1ccccc1CN1CCCC[C@H]1C(=O)N1CCC(O)(Cn2ccnc2C)CC1 ZINC000019287834 556728456 /nfs/dbraw/zinc/72/84/56/556728456.db2.gz OCHYEYXODIVSOG-NRFANRHFSA-N 0 3 426.561 2.608 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019339125 556739426 /nfs/dbraw/zinc/73/94/26/556739426.db2.gz LQRQWEXVYHHVOT-KRWDZBQOSA-N 0 3 435.553 2.805 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342767 556740693 /nfs/dbraw/zinc/74/06/93/556740693.db2.gz PIJHWPCLTKYWFK-KRWDZBQOSA-N 0 3 440.569 2.556 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342767 556740694 /nfs/dbraw/zinc/74/06/94/556740694.db2.gz PIJHWPCLTKYWFK-KRWDZBQOSA-N 0 3 440.569 2.556 40 0 IFABHN c1csc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 ZINC000019343937 556741726 /nfs/dbraw/zinc/74/17/26/556741726.db2.gz WSNCAAHOMQIZCO-QGZVFWFLSA-N 0 3 449.584 2.783 40 0 IFABHN O=C1CCOC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 ZINC000019349469 556744588 /nfs/dbraw/zinc/74/45/88/556744588.db2.gz XUZBSTICWLTHFI-OZXSUGGESA-N 0 3 444.535 2.930 40 0 IFABHN O=C1CCOC[C@]2(CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019401992 556753746 /nfs/dbraw/zinc/75/37/46/556753746.db2.gz AEUWLPWGOXAUCY-AHWVRZQESA-N 0 3 444.535 2.930 40 0 IFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450078 556760924 /nfs/dbraw/zinc/76/09/24/556760924.db2.gz FTLMFEDYMSEZGQ-PMACEKPBSA-N 0 3 445.571 2.760 40 0 IFABHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1C ZINC000019571428 556811618 /nfs/dbraw/zinc/81/16/18/556811618.db2.gz XZGQJPQUAXGEKA-LJQANCHMSA-N 0 3 446.573 2.792 40 0 IFABHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1C ZINC000019571428 556811619 /nfs/dbraw/zinc/81/16/19/556811619.db2.gz XZGQJPQUAXGEKA-LJQANCHMSA-N 0 3 446.573 2.792 40 0 IFABHN CN(C)CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC000019583008 556820732 /nfs/dbraw/zinc/82/07/32/556820732.db2.gz IOWMCTWUTMAMRJ-FXAWDEMLSA-N 0 3 442.585 2.850 40 0 IFABHN COc1cc(CN2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019689291 556843970 /nfs/dbraw/zinc/84/39/70/556843970.db2.gz CIPUYNWMOHDCJV-LJQANCHMSA-N 0 3 435.528 2.734 40 0 IFABHN CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(C)c3)CC1)C2=O ZINC000019699509 556858806 /nfs/dbraw/zinc/85/88/06/556858806.db2.gz NYIWVVACSZKSOS-UHFFFAOYSA-N 0 3 428.533 2.502 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)Cc1cccc(C)c1)CC2 ZINC000019711382 556875833 /nfs/dbraw/zinc/87/58/33/556875833.db2.gz QXYCWRDDNFOPLX-UHFFFAOYSA-N 0 3 429.590 2.524 40 0 IFABHN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000019756466 556900324 /nfs/dbraw/zinc/90/03/24/556900324.db2.gz XNLKSFMTNNKNPF-UHFFFAOYSA-N 0 3 439.560 2.558 40 0 IFABHN Cc1nc2cc(C)ccn2c1CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 ZINC000019765753 556910819 /nfs/dbraw/zinc/91/08/19/556910819.db2.gz OGGHWNHTGVRRKK-UHFFFAOYSA-N 0 3 448.571 2.780 40 0 IFABHN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374866 556949352 /nfs/dbraw/zinc/94/93/52/556949352.db2.gz MXHQKFXWBIJUNG-FQEVSTJZSA-N 0 3 438.576 2.969 40 0 IFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CN2CCCCCC2)cc1 ZINC000072377103 556955736 /nfs/dbraw/zinc/95/57/36/556955736.db2.gz OOJILMYXFQQGMU-FQEVSTJZSA-N 0 3 436.560 2.754 40 0 IFABHN CN(C)c1ncc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)n(CC3CC3)c2)cn1 ZINC000096147681 557177514 /nfs/dbraw/zinc/17/75/14/557177514.db2.gz ZOOYRGUMTFZNGZ-UHFFFAOYSA-N 0 3 431.544 2.779 40 0 IFABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H]2CCCN(C)C2)cc1OC ZINC000096236467 557185315 /nfs/dbraw/zinc/18/53/15/557185315.db2.gz NWHFPEJZKCTXDU-GOSISDBHSA-N 0 3 425.529 2.957 40 0 IFABHN CN1C(=O)C2(CC13CCN(C(=O)c1cscn1)CC3)CCN(Cc1cccnc1)CC2 ZINC000096262361 557190049 /nfs/dbraw/zinc/19/00/49/557190049.db2.gz MNFBWBYZRDSLNQ-UHFFFAOYSA-N 0 3 439.585 2.657 40 0 IFABHN COCCN1CC2(CCN(Cc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263524 557191426 /nfs/dbraw/zinc/19/14/26/557191426.db2.gz GHBNUFBDCAFUTC-UHFFFAOYSA-N 0 3 430.570 2.999 40 0 IFABHN O=C(c1nc(-c2cn(CC3CC3)cn2)n2ccccc12)N1CCN(c2ccncc2)CC1 ZINC000096266937 557192834 /nfs/dbraw/zinc/19/28/34/557192834.db2.gz DQFDGQGFZSOTJM-UHFFFAOYSA-N 0 3 427.512 2.965 40 0 IFABHN O=C1NCCN1CCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585273614 557216191 /nfs/dbraw/zinc/21/61/91/557216191.db2.gz QYEUXJQCAYGQSM-UHFFFAOYSA-N 0 3 443.519 2.636 40 0 IFABHN CN(C)CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585281953 557220781 /nfs/dbraw/zinc/22/07/81/557220781.db2.gz VNAZRVYXPHCRKI-GOTSBHOMSA-N 0 3 434.964 2.657 40 0 IFABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585282041 557221245 /nfs/dbraw/zinc/22/12/45/557221245.db2.gz GHUNRVRADDRBQE-FQEVSTJZSA-N 0 3 430.904 2.542 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284234 557223852 /nfs/dbraw/zinc/22/38/52/557223852.db2.gz VYQCGKVEWYKDAB-HSZRJFAPSA-N 0 3 434.964 2.923 40 0 IFABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000113947048 557380758 /nfs/dbraw/zinc/38/07/58/557380758.db2.gz YGJRMIPYWYDSHN-UHFFFAOYSA-N 0 3 448.416 2.746 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224392909 557601180 /nfs/dbraw/zinc/60/11/80/557601180.db2.gz KIUOFSDTCMERDO-UHFFFAOYSA-N 0 3 427.570 2.795 40 0 IFABHN COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 ZINC000224814233 557654742 /nfs/dbraw/zinc/65/47/42/557654742.db2.gz DDZOKBQNPHUNEE-UHFFFAOYSA-N 0 3 445.585 2.764 40 0 IFABHN COc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1 ZINC000224814166 557654781 /nfs/dbraw/zinc/65/47/81/557654781.db2.gz TVRJCVMIBVVTKI-UHFFFAOYSA-N 0 3 445.585 2.764 40 0 IFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1cccc(F)c1 ZINC000224819342 557655505 /nfs/dbraw/zinc/65/55/05/557655505.db2.gz XRYOHXSSJOKOPL-UHFFFAOYSA-N 0 3 433.549 2.894 40 0 IFABHN Cc1ccc(CN(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000225352395 557713709 /nfs/dbraw/zinc/71/37/09/557713709.db2.gz RADTXFGZOXPLST-UHFFFAOYSA-N 0 3 445.585 2.868 40 0 IFABHN OC1(COc2ccccc2F)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000585274557 568618750 /nfs/dbraw/zinc/61/87/50/568618750.db2.gz ZZDPOUSXDDUEIL-UHFFFAOYSA-N 0 3 444.547 2.943 40 0 IFABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000585287875 568619318 /nfs/dbraw/zinc/61/93/18/568619318.db2.gz UGSKBENCGRUGSK-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585287905 568619518 /nfs/dbraw/zinc/61/95/18/568619518.db2.gz USZSJEITCZIKIP-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN CN(C(=O)COc1ccc(CN2CCCC2)cc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257220732 568674671 /nfs/dbraw/zinc/67/46/71/568674671.db2.gz DLXPNYSQJCXEGZ-CQOQZXRMSA-N 0 3 426.561 2.861 40 0 IFABHN COCCN1C(=O)CCC[C@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257228908 568678568 /nfs/dbraw/zinc/67/85/68/568678568.db2.gz FVUNRNBSXJFIMR-GHTZIAJQSA-N 0 3 445.604 2.698 40 0 IFABHN CN1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257240367 568683990 /nfs/dbraw/zinc/68/39/90/568683990.db2.gz HTCYRJYPSIYJPJ-HXUWFJFHSA-N 0 3 445.567 2.713 40 0 IFABHN CN1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257240366 568684083 /nfs/dbraw/zinc/68/40/83/568684083.db2.gz HTCYRJYPSIYJPJ-FQEVSTJZSA-N 0 3 445.567 2.713 40 0 IFABHN CN(C)CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257270964 568698239 /nfs/dbraw/zinc/69/82/39/568698239.db2.gz MWITZNGBQDIVFQ-GOSISDBHSA-N 0 3 426.439 2.512 40 0 IFABHN Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CCC[C@@H]3N(C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257291568 568707348 /nfs/dbraw/zinc/70/73/48/568707348.db2.gz QHOKMUIMQOMNSW-JIORRVSTSA-N 0 3 428.602 2.976 40 0 IFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(OC)c3)CC1)COC2 ZINC000306122953 568762331 /nfs/dbraw/zinc/76/23/31/568762331.db2.gz AALWKRCEOQATNC-QGZVFWFLSA-N 0 3 427.549 2.628 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4OC)C[C@H]2C3)cc1 ZINC000306125782 568763971 /nfs/dbraw/zinc/76/39/71/568763971.db2.gz DCDCUXJHAJFNOC-MSOLQXFVSA-N 0 3 433.512 2.852 40 0 IFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306131161 568766616 /nfs/dbraw/zinc/76/66/16/568766616.db2.gz JXXSZYZOVRJIED-HZPDHXFCSA-N 0 3 435.459 2.703 40 0 IFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138894 568771099 /nfs/dbraw/zinc/77/10/99/568771099.db2.gz SKGZTOYPPFTCHU-RSXGOPAZSA-N 0 3 444.535 2.882 40 0 IFABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cccnc4OC)CC2)CN(C)C3)cc1 ZINC000306140496 568771780 /nfs/dbraw/zinc/77/17/80/568771780.db2.gz UVAWSODVSKZPLQ-UHFFFAOYSA-N 0 3 434.544 2.794 40 0 IFABHN CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141642 568772459 /nfs/dbraw/zinc/77/24/59/568772459.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 0 3 434.584 2.796 40 0 IFABHN Cc1cc(C)cc(CN2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)c1 ZINC000306144854 568773844 /nfs/dbraw/zinc/77/38/44/568773844.db2.gz ZQHAXDNWMBJMIG-AREMUKBSSA-N 0 3 449.599 2.884 40 0 IFABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)n1 ZINC000328966206 568808002 /nfs/dbraw/zinc/80/80/02/568808002.db2.gz CIPATDZOJNGENA-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329010938 568809293 /nfs/dbraw/zinc/80/92/93/568809293.db2.gz MDOXBMCPWXUBLV-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000012162979 569224904 /nfs/dbraw/zinc/22/49/04/569224904.db2.gz FCRIDGYCOYMMEJ-LJFZDNNRSA-N 0 3 428.577 2.573 40 0 IFABHN COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC ZINC000012219507 569224925 /nfs/dbraw/zinc/22/49/25/569224925.db2.gz ONSYXVGVXIXUPS-IBGZPJMESA-N 0 3 437.544 2.964 40 0 IFABHN O=C(C1CCCC1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699458 569230606 /nfs/dbraw/zinc/23/06/06/569230606.db2.gz KSZPKOIJMYYIJF-UHFFFAOYSA-N 0 3 438.572 2.754 40 0 IFABHN COc1cc(/C=C2/SC(=N)N(c3nonc3N)C2=O)ccc1OCCN1CCCCC1 ZINC000008780840 569290430 /nfs/dbraw/zinc/29/04/30/569290430.db2.gz YKYMXIZUSALQBV-YFWALFPESA-N 0 3 444.517 2.581 40 0 IFABHN CNc1cc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)nc([C@H]2CCCN2)n1 ZINC000019760042 569328706 /nfs/dbraw/zinc/32/87/06/569328706.db2.gz QOYSONWHLHIRPT-OAHLLOKOSA-N 0 3 429.468 2.782 40 0 IFABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)cc1 ZINC000008299262 291341177 /nfs/dbraw/zinc/34/11/77/291341177.db2.gz LIQBUORNQHVQAQ-NNWRFLSQSA-N 0 3 437.588 2.812 40 0 biogenic,in-vitro IFABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000008297676 291344504 /nfs/dbraw/zinc/34/45/04/291344504.db2.gz JDNQDTRQRJSFDB-TYPHKJRUSA-N 0 3 425.577 2.716 40 0 biogenic,in-vitro IFABHN COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NCc1ccc(CO)o1 ZINC000035442599 523891830 /nfs/dbraw/zinc/89/18/30/523891830.db2.gz INKCVJFQAFNFFT-TZYAJKAJSA-N 0 3 436.593 2.740 40 0 biogenic,in-vitro IFABHN C[C@@H](C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1)N1C(=O)NC(C)(C)C1=O ZINC000012187181 524169209 /nfs/dbraw/zinc/16/92/09/524169209.db2.gz WZDMUFUEPGJALX-HNNXBMFYSA-N 0 3 446.979 2.671 40 0 IFABHN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000408710119 556116945 /nfs/dbraw/zinc/11/69/45/556116945.db2.gz PCIWXWUEPQSGIO-FQEVSTJZSA-N 0 3 436.556 2.718 40 0 IFABHN O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688570 556278349 /nfs/dbraw/zinc/27/83/49/556278349.db2.gz LOVQFNLWBLLNPI-UHFFFAOYSA-N 0 3 427.998 2.733 40 0 IFABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1 ZINC000036719506 556309677 /nfs/dbraw/zinc/30/96/77/556309677.db2.gz YLCQTVRZVARRAE-UZFJHSOTSA-N 0 3 440.540 2.973 40 0 IFABHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000010281399 556329509 /nfs/dbraw/zinc/32/95/09/556329509.db2.gz ZDEJWKHLCKGTIC-UHFFFAOYSA-N 0 3 429.586 2.918 40 0 IFABHN CN(C)CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013668937 556549508 /nfs/dbraw/zinc/54/95/08/556549508.db2.gz WGOQWYXPDOABLP-UHFFFAOYSA-N 0 3 430.357 2.867 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000019234501 556718828 /nfs/dbraw/zinc/71/88/28/556718828.db2.gz PEZAJXVMPSXLTA-FDDCHVKYSA-N 0 3 444.597 2.723 40 0 IFABHN Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019235087 556719345 /nfs/dbraw/zinc/71/93/45/556719345.db2.gz SRTUUJMRTFHWBU-FQEVSTJZSA-N 0 3 430.574 2.512 40 0 IFABHN Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c1 ZINC000019235087 556719347 /nfs/dbraw/zinc/71/93/47/556719347.db2.gz SRTUUJMRTFHWBU-FQEVSTJZSA-N 0 3 430.574 2.512 40 0 IFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345760 556742539 /nfs/dbraw/zinc/74/25/39/556742539.db2.gz VZIUIICUSXVTQK-HXUWFJFHSA-N 0 3 448.567 2.769 40 0 IFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345760 556742543 /nfs/dbraw/zinc/74/25/43/556742543.db2.gz VZIUIICUSXVTQK-HXUWFJFHSA-N 0 3 448.567 2.769 40 0 IFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345762 556742590 /nfs/dbraw/zinc/74/25/90/556742590.db2.gz VZIUIICUSXVTQK-FQEVSTJZSA-N 0 3 448.567 2.769 40 0 IFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345762 556742593 /nfs/dbraw/zinc/74/25/93/556742593.db2.gz VZIUIICUSXVTQK-FQEVSTJZSA-N 0 3 448.567 2.769 40 0 IFABHN O=C1CCOC[C@]2(CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccnc2)N1 ZINC000019402006 556753777 /nfs/dbraw/zinc/75/37/77/556753777.db2.gz ORGPKIYPLQBYRW-AHWVRZQESA-N 0 3 444.535 2.930 40 0 IFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448196 556757668 /nfs/dbraw/zinc/75/76/68/556757668.db2.gz BLEVLBKHQRNMQF-IBGZPJMESA-N 0 3 434.537 2.591 40 0 IFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448196 556757669 /nfs/dbraw/zinc/75/76/69/556757669.db2.gz BLEVLBKHQRNMQF-IBGZPJMESA-N 0 3 434.537 2.591 40 0 IFABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000019572449 556812833 /nfs/dbraw/zinc/81/28/33/556812833.db2.gz PEGZIOFUUMPCBD-QFIPXVFZSA-N 0 3 445.585 2.618 40 0 IFABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000019588232 556824090 /nfs/dbraw/zinc/82/40/90/556824090.db2.gz DARUVBWBTFFIOW-MRXNPFEDSA-N 0 3 434.537 2.699 40 0 IFABHN O=C(CCNC(=O)N1CCSc2ncccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000064816921 556827560 /nfs/dbraw/zinc/82/75/60/556827560.db2.gz FCGAMYWEJKJJRC-UHFFFAOYSA-N 0 3 439.585 2.874 40 0 IFABHN COCc1ccc(OC)c(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 ZINC000019594329 556830033 /nfs/dbraw/zinc/83/00/33/556830033.db2.gz AZLMYHRTRNLUCM-QRQCMCJISA-N 0 3 443.544 2.769 40 0 IFABHN CC(=O)NCc1ccc([C@H]2CN(Cc3c(C)nc4sccn34)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698744 556857748 /nfs/dbraw/zinc/85/77/48/556857748.db2.gz DWTVAOHMJLNVNJ-UXHICEINSA-N 0 3 439.585 2.644 40 0 IFABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 ZINC000019707471 556867472 /nfs/dbraw/zinc/86/74/72/556867472.db2.gz YOVQDWMXPSVKAA-KRWDZBQOSA-N 0 3 437.544 2.620 40 0 IFABHN CNc1nc([C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710616 556874036 /nfs/dbraw/zinc/87/40/36/556874036.db2.gz LHBAHEDYBQGKBK-LJQANCHMSA-N 0 3 436.560 2.761 40 0 IFABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761767 556905268 /nfs/dbraw/zinc/90/52/68/556905268.db2.gz RHEKNWFSANCDRA-SFHVURJKSA-N 0 3 433.556 2.750 40 0 IFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335572 556908525 /nfs/dbraw/zinc/90/85/25/556908525.db2.gz QNUMIIOHSBFBEM-GVDBMIGSSA-N 0 3 440.544 2.761 40 0 IFABHN CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000072337887 556910714 /nfs/dbraw/zinc/91/07/14/556910714.db2.gz JHSCHRZCALCHAG-VNZMSGEBSA-N 0 3 428.577 2.573 40 0 IFABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000072337884 556910831 /nfs/dbraw/zinc/91/08/31/556910831.db2.gz FCRIDGYCOYMMEJ-MFSJNOQSSA-N 0 3 428.577 2.573 40 0 IFABHN O=C(C1CCOCC1)N1CCc2nc(C3CC[NH+](CC4CCCCC4)CC3)[n-]c(=O)c2C1 ZINC000072398740 556970694 /nfs/dbraw/zinc/97/06/94/556970694.db2.gz MKXCLIDXLJFQST-UHFFFAOYSA-N 0 3 442.604 2.841 40 0 IFABHN CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4c(C)nc5ccccn54)CC3)[n-]c(=O)c2C1 ZINC000072398758 556970830 /nfs/dbraw/zinc/97/08/30/556970830.db2.gz INKAUYWKPCDUGE-UHFFFAOYSA-N 0 3 448.571 2.790 40 0 IFABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 ZINC000096052920 557166489 /nfs/dbraw/zinc/16/64/89/557166489.db2.gz AVAURYOKNZWZGS-FQEVSTJZSA-N 0 3 427.589 2.529 40 0 IFABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096143636 557170462 /nfs/dbraw/zinc/17/04/62/557170462.db2.gz UQDBJBVMWGEAGJ-XZOQPEGZSA-N 0 3 447.583 2.736 40 0 IFABHN Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC000096251297 557188280 /nfs/dbraw/zinc/18/82/80/557188280.db2.gz YMESLPSWEZOGEI-YKSBVNFPSA-N 0 3 438.576 2.563 40 0 IFABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000585270413 557214079 /nfs/dbraw/zinc/21/40/79/557214079.db2.gz WBZBVBPSTLSSCS-FQEVSTJZSA-N 0 3 428.529 2.568 40 0 IFABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000585270415 557214299 /nfs/dbraw/zinc/21/42/99/557214299.db2.gz WBZBVBPSTLSSCS-HXUWFJFHSA-N 0 3 428.529 2.568 40 0 IFABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c1 ZINC000585270149 557214319 /nfs/dbraw/zinc/21/43/19/557214319.db2.gz HIBZNLTZDILHKE-FQEVSTJZSA-N 0 3 428.529 2.568 40 0 IFABHN Cc1cccc(O[C@H]2CCN(Cc3ccc(OCCN4CCNC4=O)cc3)C[C@]2(C)O)c1 ZINC000585271444 557214648 /nfs/dbraw/zinc/21/46/48/557214648.db2.gz AAECXPUWVLBKOL-ZCYQVOJMSA-N 0 3 439.556 2.803 40 0 IFABHN CCOc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585271784 557216162 /nfs/dbraw/zinc/21/61/62/557216162.db2.gz HMMXVBWRWBKMEE-QFIPXVFZSA-N 0 3 444.572 2.668 40 0 IFABHN CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274081 557217866 /nfs/dbraw/zinc/21/78/66/557217866.db2.gz VTANSASWNUEIAY-QHCPKHFHSA-N 0 3 434.964 2.923 40 0 IFABHN Cc1cc(OCC2(O)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)cc(C)c1Cl ZINC000585282202 557221702 /nfs/dbraw/zinc/22/17/02/557221702.db2.gz ZLPYDMTXIOKYSN-UHFFFAOYSA-N 0 3 430.998 2.587 40 0 IFABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 ZINC000585283098 557222419 /nfs/dbraw/zinc/22/24/19/557222419.db2.gz BRKQMTUREVSCQL-UNMCSNQZSA-N 0 3 436.474 2.752 40 0 IFABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 ZINC000585286057 557225285 /nfs/dbraw/zinc/22/52/85/557225285.db2.gz HDYIIFLKKJDPJT-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585290877 557228400 /nfs/dbraw/zinc/22/84/00/557228400.db2.gz GRAUMTUPIOJQNH-QUCCMNQESA-N 0 3 442.865 2.625 40 0 IFABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585292248 557230254 /nfs/dbraw/zinc/23/02/54/557230254.db2.gz ZHVNAPYOZXZBSY-QUCCMNQESA-N 0 3 442.865 2.625 40 0 IFABHN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928951 557277106 /nfs/dbraw/zinc/27/71/06/557277106.db2.gz SANLMTRHAYBMEQ-XZOQPEGZSA-N 0 3 440.592 2.900 40 0 IFABHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000113944614 557380452 /nfs/dbraw/zinc/38/04/52/557380452.db2.gz IZRNKYZGQODKAC-CQSZACIVSA-N 0 3 448.416 2.746 40 0 IFABHN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553418 557500587 /nfs/dbraw/zinc/50/05/87/557500587.db2.gz WILLQERCGGMVNI-VXKWHMMOSA-N 0 3 426.565 2.510 40 0 IFABHN COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 ZINC000019594011 557506294 /nfs/dbraw/zinc/50/62/94/557506294.db2.gz SZSUQONIZIMHBK-QHCPKHFHSA-N 0 3 435.576 2.907 40 0 IFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)Cc1ccccc1 ZINC000224852284 557659069 /nfs/dbraw/zinc/65/90/69/557659069.db2.gz BKDOPBNAJCCBHY-UHFFFAOYSA-N 0 3 429.586 2.751 40 0 IFABHN COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OCCN(C)C)nc3)CO2)cc1OC ZINC000225918534 557792275 /nfs/dbraw/zinc/79/22/75/557792275.db2.gz CTTZGLBHWFUYHE-UHFFFAOYSA-N 0 3 445.516 2.730 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000060003657 557828132 /nfs/dbraw/zinc/82/81/32/557828132.db2.gz LHAIHZNXGFPJCX-JXQFQVJHSA-N 0 3 443.613 2.950 40 0 IFABHN OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000585271071 568617550 /nfs/dbraw/zinc/61/75/50/568617550.db2.gz GMIBHPXSSWQILH-UHFFFAOYSA-N 0 3 444.547 2.943 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4C)C3)CC2)c1 ZINC000585287818 568619337 /nfs/dbraw/zinc/61/93/37/568619337.db2.gz SMWBXZCVIPLJGA-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN C[C@]12C[C@@H](Cc3ccccc3)N(Cc3ccnc(N4CCOCC4)n3)[C@H]1CCCC(=O)N2 ZINC000257200882 568665395 /nfs/dbraw/zinc/66/53/95/568665395.db2.gz AFFZLYRQMFIDBX-SLSDLSHTSA-N 0 3 435.572 2.558 40 0 IFABHN CCn1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cnccn3)C2)c(C)n1 ZINC000257210723 568670142 /nfs/dbraw/zinc/67/01/42/568670142.db2.gz BVVXIUFQZVVFPZ-QFIPXVFZSA-N 0 3 447.587 2.617 40 0 IFABHN CC(C)n1nccc1NC(=O)CN1CCCC[C@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234653 568681400 /nfs/dbraw/zinc/68/14/00/568681400.db2.gz GUNQTPXKFBVCML-NRFANRHFSA-N 0 3 444.624 2.591 40 0 IFABHN c1cn2nc(C[C@@H]3COCCN(Cc4ccccc4OCCN4CCCC4)C3)ccc2n1 ZINC000257255079 568690891 /nfs/dbraw/zinc/69/08/91/568690891.db2.gz KGACDFFDZQKAPH-NRFANRHFSA-N 0 3 435.572 2.895 40 0 IFABHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257287475 568705613 /nfs/dbraw/zinc/70/56/13/568705613.db2.gz PQDSUJLRJOBUND-QHCPKHFHSA-N 0 3 435.528 2.636 40 0 IFABHN COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257299284 568710963 /nfs/dbraw/zinc/71/09/63/568710963.db2.gz RPKJXHOVLNBAKB-OAQYLSRUSA-N 0 3 444.963 2.770 40 0 IFABHN Cc1cc(C(=O)N2CC[C@](O)(CN(C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 ZINC000257326394 568722879 /nfs/dbraw/zinc/72/28/79/568722879.db2.gz WXBMLAZOWYIILB-DEOSSOPVSA-N 0 3 441.551 2.623 40 0 IFABHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257342070 568729405 /nfs/dbraw/zinc/72/94/05/568729405.db2.gz ZMYJKZNBGNNVQY-FHNXUGJISA-N 0 3 443.588 2.783 40 0 IFABHN NC[C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238920 568740935 /nfs/dbraw/zinc/74/09/35/568740935.db2.gz KABRPIILECQRPU-IXDOHACOSA-N 0 3 430.751 2.980 40 0 IFABHN NC[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239005 568741081 /nfs/dbraw/zinc/74/10/81/568741081.db2.gz KABRPIILECQRPU-IKGGRYGDSA-N 0 3 430.751 2.980 40 0 IFABHN NCC1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238644 568741085 /nfs/dbraw/zinc/74/10/85/568741085.db2.gz DTWOKSAOLIYTED-CVEARBPZSA-N 0 3 429.767 2.946 40 0 IFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(OC)c3)CC1)COC2 ZINC000306122952 568762338 /nfs/dbraw/zinc/76/23/38/568762338.db2.gz AALWKRCEOQATNC-KRWDZBQOSA-N 0 3 427.549 2.628 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4OC)C[C@@H]2C3)cc1 ZINC000306125785 568763993 /nfs/dbraw/zinc/76/39/93/568763993.db2.gz DCDCUXJHAJFNOC-ZWKOTPCHSA-N 0 3 433.512 2.852 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306133102 568767621 /nfs/dbraw/zinc/76/76/21/568767621.db2.gz MBYOJTOIWNKMCZ-IAGOWNOFSA-N 0 3 447.495 2.572 40 0 IFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133230 568767655 /nfs/dbraw/zinc/76/76/55/568767655.db2.gz MGBCMGLUDXOWNN-AHWVRZQESA-N 0 3 444.535 2.882 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 ZINC000306139902 568771569 /nfs/dbraw/zinc/77/15/69/568771569.db2.gz UDPWPLOCSALNGT-ZWKOTPCHSA-N 0 3 435.532 2.621 40 0 IFABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2cccc(Cl)c2)C1 ZINC000306140373 568771760 /nfs/dbraw/zinc/77/17/60/568771760.db2.gz URJYPAPSZPUWLX-OAQYLSRUSA-N 0 3 428.945 2.716 40 0 IFABHN CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142749 568772984 /nfs/dbraw/zinc/77/29/84/568772984.db2.gz XIHJODYWJCKRNN-DVECYGJZSA-N 0 3 427.545 2.918 40 0 IFABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000575420368 568863259 /nfs/dbraw/zinc/86/32/59/568863259.db2.gz BGRDETJDESFHJL-LJQANCHMSA-N 0 3 430.636 2.522 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@H]4[C@H](N3)NCN[C@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000521205760 568918266 /nfs/dbraw/zinc/91/82/66/568918266.db2.gz FZKTWZZPPTUYSG-GZCVLSHOSA-N 0 3 448.659 2.628 40 0 IFABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000247980323 569206789 /nfs/dbraw/zinc/20/67/89/569206789.db2.gz JHSCHRZCALCHAG-MEKIYTOJSA-N 0 3 428.577 2.573 40 0 IFABHN C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000248149746 569207300 /nfs/dbraw/zinc/20/73/00/569207300.db2.gz WXUNKRPLHVKSKK-QQUTXWOLSA-N 0 3 435.568 2.721 40 0 IFABHN c1csc(-c2nc(N3CCN4CCC[C@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 ZINC000019343940 569226425 /nfs/dbraw/zinc/22/64/25/569226425.db2.gz WSNCAAHOMQIZCO-KRWDZBQOSA-N 0 3 449.584 2.783 40 0 IFABHN CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1 ZINC000019458697 569226700 /nfs/dbraw/zinc/22/67/00/569226700.db2.gz YLCQTVRZVARRAE-AVIJNYRZSA-N 0 3 440.540 2.973 40 0 IFABHN CCOc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO ZINC000019694964 569229413 /nfs/dbraw/zinc/22/94/13/569229413.db2.gz SYIZSTYPHYJGSC-GOSISDBHSA-N 0 3 434.544 2.880 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 ZINC000019699310 569230382 /nfs/dbraw/zinc/23/03/82/569230382.db2.gz QHNJYYHYNWNFPU-UHFFFAOYSA-N 0 3 447.583 2.675 40 0 IFABHN CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699397 569230490 /nfs/dbraw/zinc/23/04/90/569230490.db2.gz QAEBTFYVTSLKBV-HXUWFJFHSA-N 0 3 426.561 2.610 40 0 IFABHN O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000019699499 569230563 /nfs/dbraw/zinc/23/05/63/569230563.db2.gz ZJDMPSKQRKHSPQ-UHFFFAOYSA-N 0 3 433.556 2.633 40 0 IFABHN CC(C)CC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700709 569231259 /nfs/dbraw/zinc/23/12/59/569231259.db2.gz VYYWGDAYEWUWMK-UHFFFAOYSA-N 0 3 440.588 2.858 40 0 IFABHN Cc1ncsc1C(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000019702245 569231926 /nfs/dbraw/zinc/23/19/26/569231926.db2.gz URGGWQUJZLSMQW-AWEZNQCLSA-N 0 3 443.598 2.982 40 0 IFABHN COc1ccc([C@H]2C[C@@H](NCc3cnc(N(C)C)nc3)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740318 569236521 /nfs/dbraw/zinc/23/65/21/569236521.db2.gz JEEOBNAMQLBTFC-GLDPYIMESA-N 0 3 439.560 2.635 40 0 IFABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766586 569239490 /nfs/dbraw/zinc/23/94/90/569239490.db2.gz LYBDQYMESMZVGO-UHFFFAOYSA-N 0 3 439.535 2.656 40 0 IFABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(Cc3ccccc3)C1)C2=O ZINC000019699653 569327035 /nfs/dbraw/zinc/32/70/35/569327035.db2.gz WPBHDOYBMSLLAL-QFIPXVFZSA-N 0 3 446.551 2.878 40 0 IFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218157340 569456521 /nfs/dbraw/zinc/45/65/21/569456521.db2.gz KFEZPHKSZLBFFM-IPJJNNNSSA-N 0 3 446.525 2.577 40 0 IFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242543550 569462031 /nfs/dbraw/zinc/46/20/31/569462031.db2.gz KFEZPHKSZLBFFM-WOIUINJBSA-N 0 3 446.525 2.577 40 0 IFABHN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NCc3c(C)noc3C)CN(C)C(=O)C2)cc1 ZINC000096113456 291346766 /nfs/dbraw/zinc/34/67/66/291346766.db2.gz JWTAJAJSQLGYBE-WOJBJXKFSA-N 0 3 442.560 2.723 40 0 biogenic,in-vitro IFABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008254153 291350150 /nfs/dbraw/zinc/35/01/50/291350150.db2.gz FYZUHBPYIPHADI-LSWJPFSZSA-N 0 3 448.596 2.992 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 ZINC000012163008 519560108 /nfs/dbraw/zinc/56/01/08/519560108.db2.gz KDIZNYQYEANHKF-WIOPSUGQSA-N 0 3 440.588 2.719 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801362 521279594 /nfs/dbraw/zinc/27/95/94/521279594.db2.gz JGQSGLPHHUCJOI-YADHBBJMSA-N 0 3 434.540 2.519 40 0 IFABHN COc1ccc(CN2CCC(CNC(=O)CN3c4ccccc4O[C@H](C)C3=O)CC2)cc1 ZINC000012186192 524022896 /nfs/dbraw/zinc/02/28/96/524022896.db2.gz FPARJGOLXRKFGQ-GOSISDBHSA-N 0 3 437.540 2.838 40 0 IFABHN O=C(CC1CCCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000019014600 556691702 /nfs/dbraw/zinc/69/17/02/556691702.db2.gz OSKAUOWRQOVWLX-UHFFFAOYSA-N 0 3 428.577 2.593 40 0 IFABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000019236913 556721943 /nfs/dbraw/zinc/72/19/43/556721943.db2.gz YOUIWECYOLOKDI-HSZRJFAPSA-N 0 3 444.597 2.724 40 0 IFABHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453230 556763977 /nfs/dbraw/zinc/76/39/77/556763977.db2.gz AOVVKESKLHREBX-LJQANCHMSA-N 0 3 444.601 2.591 40 0 IFABHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453230 556763981 /nfs/dbraw/zinc/76/39/81/556763981.db2.gz AOVVKESKLHREBX-LJQANCHMSA-N 0 3 444.601 2.591 40 0 IFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019499388 556771497 /nfs/dbraw/zinc/77/14/97/556771497.db2.gz KEVVMLYFPQQZKR-HRAATJIYSA-N 0 3 440.544 2.742 40 0 IFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019499388 556771499 /nfs/dbraw/zinc/77/14/99/556771499.db2.gz KEVVMLYFPQQZKR-HRAATJIYSA-N 0 3 440.544 2.742 40 0 IFABHN CCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)ccc1OC ZINC000019532121 556792521 /nfs/dbraw/zinc/79/25/21/556792521.db2.gz OOKKTSMASJGLIG-PRCFCKQXSA-N 0 3 429.517 2.631 40 0 IFABHN O=C(CCN1CCC([C@H]2CC=CCN(CCc3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000019698375 556856519 /nfs/dbraw/zinc/85/65/19/556856519.db2.gz GKGQNEDUFXQACB-XMMPIXPASA-N 0 3 439.600 2.595 40 0 IFABHN CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(C(C)C)cc3)CC1)C2=O ZINC000019699534 556858793 /nfs/dbraw/zinc/85/87/93/556858793.db2.gz JCQWJWMRMZQAKN-UHFFFAOYSA-N 0 3 426.561 2.707 40 0 IFABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752654 556896091 /nfs/dbraw/zinc/89/60/91/556896091.db2.gz SUFVZCXVDZVBCJ-UHFFFAOYSA-N 0 3 434.588 2.935 40 0 IFABHN Cc1nn(C)cc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000019756365 556899951 /nfs/dbraw/zinc/89/99/51/556899951.db2.gz SZAAKLAGEABCJT-UHFFFAOYSA-N 0 3 438.551 2.986 40 0 IFABHN Cc1nc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765857 556910745 /nfs/dbraw/zinc/91/07/45/556910745.db2.gz VHDIWUSJUVFHGO-NRFANRHFSA-N 0 3 435.572 2.763 40 0 IFABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCO2 ZINC000019819176 556922084 /nfs/dbraw/zinc/92/20/84/556922084.db2.gz IHVLPRVSDFFIDL-MRXNPFEDSA-N 0 3 426.400 2.993 40 0 IFABHN CC(C)c1ccc(C[NH+]2CCC(c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)CC2)cc1 ZINC000072399023 556971381 /nfs/dbraw/zinc/97/13/81/556971381.db2.gz AKQHHDHEFHDFLP-UHFFFAOYSA-N 0 3 444.601 2.591 40 0 IFABHN COc1ccc(CCC(=O)N2CCC[C@]3(CCCN3CC(=O)N(C)C)CC2)c(OC)c1 ZINC000585100092 557033767 /nfs/dbraw/zinc/03/37/67/557033767.db2.gz FQGKOVOTVWUQEH-DEOSSOPVSA-N 0 3 431.577 2.572 40 0 IFABHN Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)c1 ZINC000585107182 557038334 /nfs/dbraw/zinc/03/83/34/557038334.db2.gz QSLKWQIHAFTOPV-OZXSUGGESA-N 0 3 435.568 2.702 40 0 IFABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(OC)ccc3F)C[C@@H]21 ZINC000585109785 557042160 /nfs/dbraw/zinc/04/21/60/557042160.db2.gz UIFSWMLZQWFFLA-AWRGLXIESA-N 0 3 428.504 2.884 40 0 IFABHN CCCCNC(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262815 557190432 /nfs/dbraw/zinc/19/04/32/557190432.db2.gz ZLBORVHKYRTCOF-DEOSSOPVSA-N 0 3 427.593 2.728 40 0 IFABHN CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273025 557215423 /nfs/dbraw/zinc/21/54/23/557215423.db2.gz QIDFFBCPQNGVSZ-HSZRJFAPSA-N 0 3 434.964 2.923 40 0 IFABHN CS(=O)(=O)N1CCC(N2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281170 557220945 /nfs/dbraw/zinc/22/09/45/557220945.db2.gz FVEZYJXAMCMHHY-UHFFFAOYSA-N 0 3 437.389 2.623 40 0 IFABHN Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)cc1 ZINC000585285058 557224763 /nfs/dbraw/zinc/22/47/63/557224763.db2.gz VQJCHZHNEOKSFV-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)c1 ZINC000585286841 557225535 /nfs/dbraw/zinc/22/55/35/557225535.db2.gz JKYUVRPUHQAHJS-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000013565235 557342119 /nfs/dbraw/zinc/34/21/19/557342119.db2.gz FTGCERLTTBCLLZ-INIZCTEOSA-N 0 3 429.546 2.709 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000017102215 557491073 /nfs/dbraw/zinc/49/10/73/557491073.db2.gz LAQKGFKJWVBQDK-RTWAWAEBSA-N 0 3 438.503 2.663 40 0 IFABHN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553423 557500595 /nfs/dbraw/zinc/50/05/95/557500595.db2.gz WILLQERCGGMVNI-YADHBBJMSA-N 0 3 426.565 2.510 40 0 IFABHN CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1OC ZINC000224781140 557650817 /nfs/dbraw/zinc/65/08/17/557650817.db2.gz OLOMJICRRHDUJX-UHFFFAOYSA-N 0 3 431.558 2.519 40 0 IFABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 ZINC000585287789 568619348 /nfs/dbraw/zinc/61/93/48/568619348.db2.gz RRDJYNSNVNHARE-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288226 568619399 /nfs/dbraw/zinc/61/93/99/568619399.db2.gz YWXVWKOYFYHLHM-JOCHJYFZSA-N 0 3 426.504 2.588 40 0 IFABHN CN(Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257200009 568665029 /nfs/dbraw/zinc/66/50/29/568665029.db2.gz ABPTZDGVTHWZAB-KJXAQDMKSA-N 0 3 427.545 2.646 40 0 IFABHN CCn1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)c(C)n1 ZINC000257210722 568669992 /nfs/dbraw/zinc/66/99/92/568669992.db2.gz BVVXIUFQZVVFPZ-JOCHJYFZSA-N 0 3 447.587 2.617 40 0 IFABHN C[NH+](C)[C@H]1CC2(CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)[O-])CC2)OC[C@]1(C)O ZINC000257247215 568687174 /nfs/dbraw/zinc/68/71/74/568687174.db2.gz IXZHMXYQDSSOHW-URXFXBBRSA-N 0 3 448.604 2.884 40 0 IFABHN CC(C)CN1C(=O)CO[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]21 ZINC000257253235 568689760 /nfs/dbraw/zinc/68/97/60/568689760.db2.gz JYBOHHYQSOWCTB-SFTDATJTSA-N 0 3 445.604 2.696 40 0 IFABHN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@]3(Cc4ccccc4)CCCN3C)CC2)n1 ZINC000257270007 568697588 /nfs/dbraw/zinc/69/75/88/568697588.db2.gz MSJVKJUDVMEGGE-AREMUKBSSA-N 0 3 449.599 2.732 40 0 IFABHN CCN(CC)CC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257313911 568717062 /nfs/dbraw/zinc/71/70/62/568717062.db2.gz UUQMDHRGVMLHJT-FQEVSTJZSA-N 0 3 435.572 2.922 40 0 IFABHN CCN(CC)CC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257313912 568717131 /nfs/dbraw/zinc/71/71/31/568717131.db2.gz UUQMDHRGVMLHJT-HXUWFJFHSA-N 0 3 435.572 2.922 40 0 IFABHN Cc1nccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336605 568727216 /nfs/dbraw/zinc/72/72/16/568727216.db2.gz YPEMJICHJVQSCN-HXUWFJFHSA-N 0 3 434.544 2.983 40 0 IFABHN O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 ZINC000257340610 568728975 /nfs/dbraw/zinc/72/89/75/568728975.db2.gz ZGWKGCLTIUXOSS-DNVJHFABSA-N 0 3 425.529 2.647 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4OC)C[C@@H]2C3)cc1 ZINC000306125784 568764020 /nfs/dbraw/zinc/76/40/20/568764020.db2.gz DCDCUXJHAJFNOC-ROUUACIJSA-N 0 3 433.512 2.852 40 0 IFABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126541 568764194 /nfs/dbraw/zinc/76/41/94/568764194.db2.gz DYTMTPNGONNGEC-QPPBQGQZSA-N 0 3 433.560 2.611 40 0 IFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306131159 568766342 /nfs/dbraw/zinc/76/63/42/568766342.db2.gz JXXSZYZOVRJIED-CVEARBPZSA-N 0 3 435.459 2.703 40 0 IFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133232 568767585 /nfs/dbraw/zinc/76/75/85/568767585.db2.gz MGBCMGLUDXOWNN-AZGAKELHSA-N 0 3 444.535 2.882 40 0 IFABHN CN(C)c1ccccc1CN1CCOC[C@@]2(CC[C@H](CNC(=O)C3CC(F)(F)C3)O2)C1 ZINC000306133853 568768187 /nfs/dbraw/zinc/76/81/87/568768187.db2.gz MXVJYOXZHJRNKH-DENIHFKCSA-N 0 3 437.531 2.664 40 0 IFABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134888 568768649 /nfs/dbraw/zinc/76/86/49/568768649.db2.gz OAMZMLMXGOEXAZ-AZGAKELHSA-N 0 3 444.535 2.882 40 0 IFABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000306134901 568768735 /nfs/dbraw/zinc/76/87/35/568768735.db2.gz OBCCJTDFDQXAPG-UHFFFAOYSA-N 0 3 448.527 2.922 40 0 IFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138893 568770875 /nfs/dbraw/zinc/77/08/75/568770875.db2.gz SKGZTOYPPFTCHU-AZGAKELHSA-N 0 3 444.535 2.882 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 ZINC000306139900 568771544 /nfs/dbraw/zinc/77/15/44/568771544.db2.gz UDPWPLOCSALNGT-QZTJIDSGSA-N 0 3 435.532 2.621 40 0 IFABHN CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141639 568772478 /nfs/dbraw/zinc/77/24/78/568772478.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 0 3 434.584 2.796 40 0 IFABHN O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000575420928 568863041 /nfs/dbraw/zinc/86/30/41/568863041.db2.gz LBDSYOHBVGGFRW-WOJBJXKFSA-N 0 3 443.396 2.743 40 0 IFABHN Cc1cccc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 ZINC000009062583 569219640 /nfs/dbraw/zinc/21/96/40/569219640.db2.gz SKMQZVOALLJHRE-UHFFFAOYSA-N 0 3 441.597 2.740 40 0 IFABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O ZINC000019699407 569230393 /nfs/dbraw/zinc/23/03/93/569230393.db2.gz DRFMZIAJJXWQPO-UHFFFAOYSA-N 0 3 446.551 2.878 40 0 IFABHN O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 ZINC000019699498 569230580 /nfs/dbraw/zinc/23/05/80/569230580.db2.gz WJUOINKEQOOSJV-UHFFFAOYSA-N 0 3 433.556 2.633 40 0 IFABHN CC(C)(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699863 569230887 /nfs/dbraw/zinc/23/08/87/569230887.db2.gz RJJUYDNHVAILQZ-IBGZPJMESA-N 0 3 426.561 2.610 40 0 IFABHN O=C(C1CCCC1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699880 569230918 /nfs/dbraw/zinc/23/09/18/569230918.db2.gz OFLHUTCHBPTQNC-OAQYLSRUSA-N 0 3 438.572 2.754 40 0 IFABHN CCn1nc(C)c(CN2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)c1C ZINC000019702618 569232276 /nfs/dbraw/zinc/23/22/76/569232276.db2.gz HVKQIDOBFPVMSQ-MRXNPFEDSA-N 0 3 427.574 2.841 40 0 IFABHN CN(C)c1cc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)nc([C@@H]2CCCN2)n1 ZINC000019709803 569234804 /nfs/dbraw/zinc/23/48/04/569234804.db2.gz CIZCFZZCZRBPTO-QFIPXVFZSA-N 0 3 436.604 2.805 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515991 569288165 /nfs/dbraw/zinc/28/81/65/569288165.db2.gz PDXCEXPRYLTROM-NLWGTHIKSA-N 0 3 437.901 2.517 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515812 569288210 /nfs/dbraw/zinc/28/82/10/569288210.db2.gz NUQIJOGDLJPESP-YQVWRLOYSA-N 0 3 438.343 2.897 40 0 IFABHN Cc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3cc(F)ccc3n21 ZINC000009971899 569298784 /nfs/dbraw/zinc/29/87/84/569298784.db2.gz NGKIRZNLGASNBV-UHFFFAOYSA-N 0 3 447.514 2.661 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218179113 569456637 /nfs/dbraw/zinc/45/66/37/569456637.db2.gz PDXCEXPRYLTROM-WSTZPKSXSA-N 0 3 437.901 2.517 40 0 IFABHN Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@H]2CNCCO2)cn1 ZINC000113529969 569587226 /nfs/dbraw/zinc/58/72/26/569587226.db2.gz SYYBDNPGDKKJDU-CYBMUJFWSA-N 0 3 436.310 2.867 40 0 in-vitro IFABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)c3cnccn3)c2=O)cc1 ZINC000004259168 291346790 /nfs/dbraw/zinc/34/67/90/291346790.db2.gz YSBPXMACXPLWKK-ZWKOTPCHSA-N 0 3 431.496 2.519 40 0 biogenic,in-vitro IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801358 521092366 /nfs/dbraw/zinc/09/23/66/521092366.db2.gz JGQSGLPHHUCJOI-FCHUYYIVSA-N 0 3 434.540 2.519 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801474 521092749 /nfs/dbraw/zinc/09/27/49/521092749.db2.gz RTQZSXIMYZPWRP-SFTDATJTSA-N 0 3 438.503 2.663 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801656 521280061 /nfs/dbraw/zinc/28/00/61/521280061.db2.gz YLQHYDSOFYPQGU-UXHICEINSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674622 521280336 /nfs/dbraw/zinc/28/03/36/521280336.db2.gz NDCWRDAJXXOZTG-FGZHOGPDSA-N 0 3 434.540 2.519 40 0 IFABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000044913725 556681419 /nfs/dbraw/zinc/68/14/19/556681419.db2.gz LWPGWERFVINJIV-UHFFFAOYSA-N 0 3 427.420 2.959 40 0 IFABHN O=C(Cc1cc(F)ccc1F)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293032 556732479 /nfs/dbraw/zinc/73/24/79/556732479.db2.gz NGFACGAYYDZZFI-HNNXBMFYSA-N 0 3 442.510 2.907 40 0 IFABHN O=C(Cc1cc(F)ccc1F)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293032 556732481 /nfs/dbraw/zinc/73/24/81/556732481.db2.gz NGFACGAYYDZZFI-HNNXBMFYSA-N 0 3 442.510 2.907 40 0 IFABHN COc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)on1 ZINC000019448335 556757513 /nfs/dbraw/zinc/75/75/13/556757513.db2.gz OPQKEYXPTUAKEU-SFHVURJKSA-N 0 3 429.521 2.632 40 0 IFABHN COc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)on1 ZINC000019448335 556757515 /nfs/dbraw/zinc/75/75/15/556757515.db2.gz OPQKEYXPTUAKEU-SFHVURJKSA-N 0 3 429.521 2.632 40 0 IFABHN CCn1ncc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c1C ZINC000019523987 556781236 /nfs/dbraw/zinc/78/12/36/556781236.db2.gz UDGVNPZBSDXAOG-NHCUHLMSSA-N 0 3 439.608 2.732 40 0 IFABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)C3CCCC3)C[C@H]2C1=O ZINC000019526391 556784519 /nfs/dbraw/zinc/78/45/19/556784519.db2.gz AUKUVPIHGUOKLA-CPJSRVTESA-N 0 3 440.588 2.512 40 0 IFABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019572440 556812842 /nfs/dbraw/zinc/81/28/42/556812842.db2.gz KHZKDBANXOVLPR-JOCHJYFZSA-N 0 3 448.560 2.555 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](Cc4ccsc4)C3)cc(=O)[n-]2)CC1 ZINC000019593107 556829333 /nfs/dbraw/zinc/82/93/33/556829333.db2.gz PETYYABMWKJZPP-LJQANCHMSA-N 0 3 444.601 2.954 40 0 IFABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(=O)[n-]2)CC1 ZINC000019593107 556829336 /nfs/dbraw/zinc/82/93/36/556829336.db2.gz PETYYABMWKJZPP-LJQANCHMSA-N 0 3 444.601 2.954 40 0 IFABHN Cc1nc(N)c2c(n1)nc(C1CCN(C(=O)C3CCN(C)CC3)CC1)cc2C(F)(F)F ZINC000019743159 556887424 /nfs/dbraw/zinc/88/74/24/556887424.db2.gz CMDKNBXELWPOGF-UHFFFAOYSA-N 0 3 436.482 2.982 40 0 IFABHN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019743666 556888542 /nfs/dbraw/zinc/88/85/42/556888542.db2.gz CMLCLWHOYOFYFT-UHFFFAOYSA-N 0 3 437.544 2.689 40 0 IFABHN Cc1cc(NC(=O)Cn2cc(C(=O)Nc3ccccc3CN3CCCC3)ccc2=O)no1 ZINC000019751203 556895202 /nfs/dbraw/zinc/89/52/02/556895202.db2.gz ORHPREHIBRTRKA-UHFFFAOYSA-N 0 3 435.484 2.632 40 0 IFABHN C[C@H]1CCCN(CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756779 556900651 /nfs/dbraw/zinc/90/06/51/556900651.db2.gz VQISVXHZSPEVRY-INIZCTEOSA-N 0 3 442.589 2.698 40 0 IFABHN CN(C)c1ncc(-c2cnc(N)nc2)c(C2CCN(CCOCc3ccccc3)CC2)n1 ZINC000072356451 556931271 /nfs/dbraw/zinc/93/12/71/556931271.db2.gz IGWPQYJNFQWRDO-UHFFFAOYSA-N 0 3 433.560 2.978 40 0 IFABHN COc1cc(CC(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc(OC)c1OC ZINC000072395246 556966764 /nfs/dbraw/zinc/96/67/64/556966764.db2.gz WXKFGNOESDMREH-LJQANCHMSA-N 0 3 428.529 2.915 40 0 IFABHN O=C(c1cccs1)N1CCc2nc(C3CC[NH+](Cc4cccnc4)CC3)[n-]c(=O)c2C1 ZINC000072398984 556971149 /nfs/dbraw/zinc/97/11/49/556971149.db2.gz QMJOSMNZMQSOSM-UHFFFAOYSA-N 0 3 435.553 2.805 40 0 IFABHN O=C1C[C@@]2(CN1Cc1cncs1)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103647 557036091 /nfs/dbraw/zinc/03/60/91/557036091.db2.gz LHPILRRRTFYCBU-OAQYLSRUSA-N 0 3 441.582 2.913 40 0 IFABHN CN(C)[C@H]1CCN(C(=O)c2ncn3c2nccc3C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000096155750 557180329 /nfs/dbraw/zinc/18/03/29/557180329.db2.gz PJLADWIGHQZSLI-FQEVSTJZSA-N 0 3 446.555 2.525 40 0 IFABHN CN(C)[C@@H]1CCN(C(=O)c2ncn3c2nccc3C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000096155749 557180408 /nfs/dbraw/zinc/18/04/08/557180408.db2.gz PJLADWIGHQZSLI-HXUWFJFHSA-N 0 3 446.555 2.525 40 0 IFABHN COCCN1CCC2(CC3(CCN(C(=O)c4cccc(Cl)c4)CC3)N(C)C2=O)CC1 ZINC000096262346 557189741 /nfs/dbraw/zinc/18/97/41/557189741.db2.gz IUMOKWGMKALKFP-UHFFFAOYSA-N 0 3 433.980 2.906 40 0 IFABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000585261884 557197343 /nfs/dbraw/zinc/19/73/43/557197343.db2.gz IZBSCRDQLQNXMT-XMMPIXPASA-N 0 3 426.532 2.969 40 0 IFABHN CCOc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585271782 557216176 /nfs/dbraw/zinc/21/61/76/557216176.db2.gz HMMXVBWRWBKMEE-JOCHJYFZSA-N 0 3 444.572 2.668 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585283034 557222322 /nfs/dbraw/zinc/22/23/22/557222322.db2.gz OUZKJUNZULNIOM-HSZRJFAPSA-N 0 3 440.531 2.834 40 0 IFABHN Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000585283512 557222856 /nfs/dbraw/zinc/22/28/56/557222856.db2.gz RLKJQPSAUONFGL-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)cc1 ZINC000585284881 557224550 /nfs/dbraw/zinc/22/45/50/557224550.db2.gz ADAFHQAHTPXTRL-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000585285277 557224876 /nfs/dbraw/zinc/22/48/76/557224876.db2.gz WVUMQPQJFPKUQA-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)cc1 ZINC000585285089 557224923 /nfs/dbraw/zinc/22/49/23/557224923.db2.gz CHOWAHPBBNCAGU-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)c1 ZINC000585287586 557227620 /nfs/dbraw/zinc/22/76/20/557227620.db2.gz PDWKANVPEHRUJW-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382141 557236763 /nfs/dbraw/zinc/23/67/63/557236763.db2.gz HKGOKDZERDQGSS-MOUTVQLLSA-N 0 3 437.515 2.885 40 0 biogenic,in-vitro IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382289 557237076 /nfs/dbraw/zinc/23/70/76/557237076.db2.gz NJLSXEJEQOWJRM-MCEIDBOGSA-N 0 3 426.467 2.507 40 0 biogenic,in-vitro IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382646 557237099 /nfs/dbraw/zinc/23/70/99/557237099.db2.gz WWGSSKZVGDCFFR-LUGTWXOSSA-N 0 3 437.515 2.885 40 0 biogenic,in-vitro IFABHN Cn1c(SCCN2CCCC2)nnc1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013565099 557342012 /nfs/dbraw/zinc/34/20/12/557342012.db2.gz VKGWXTOXWJETQQ-UHFFFAOYSA-N 0 3 435.619 2.571 40 0 IFABHN CN1CCC(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000113941396 557380229 /nfs/dbraw/zinc/38/02/29/557380229.db2.gz SWQCJTCYOABOOI-UHFFFAOYSA-N 0 3 439.940 2.885 40 0 IFABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000113946894 557380793 /nfs/dbraw/zinc/38/07/93/557380793.db2.gz HCMBIEBRDATUNX-UHFFFAOYSA-N 0 3 448.416 2.746 40 0 IFABHN COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 ZINC000019594013 557506317 /nfs/dbraw/zinc/50/63/17/557506317.db2.gz SZSUQONIZIMHBK-HSZRJFAPSA-N 0 3 435.576 2.907 40 0 IFABHN CN([C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000224040300 557550157 /nfs/dbraw/zinc/55/01/57/557550157.db2.gz WKRNOEYHPNETMA-OAQYLSRUSA-N 0 3 431.558 2.731 40 0 IFABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585287824 568619283 /nfs/dbraw/zinc/61/92/83/568619283.db2.gz SPPUKAFVJVWAQG-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585287772 568619315 /nfs/dbraw/zinc/61/93/15/568619315.db2.gz QVFVLAYQZRYXBH-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4C)CC3)C2)c1 ZINC000585287793 568619324 /nfs/dbraw/zinc/61/93/24/568619324.db2.gz RZXLXZNTHJWBFP-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN CC(C)n1nccc1NC(=O)CN1CCCC[C@@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234654 568681418 /nfs/dbraw/zinc/68/14/18/568681418.db2.gz GUNQTPXKFBVCML-OAQYLSRUSA-N 0 3 444.624 2.591 40 0 IFABHN Cc1nccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257256640 568691851 /nfs/dbraw/zinc/69/18/51/568691851.db2.gz KMIDRLVSJNGKCC-OAQYLSRUSA-N 0 3 445.470 2.805 40 0 IFABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCCN3CCCCC3)cc2)[C@H]1O ZINC000257269303 568697179 /nfs/dbraw/zinc/69/71/79/568697179.db2.gz MPKDFZBAJWSFAG-DNVJHFABSA-N 0 3 426.561 2.941 40 0 IFABHN COc1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)ccc1OCC(N)=O ZINC000257288323 568705886 /nfs/dbraw/zinc/70/58/86/568705886.db2.gz PTTFBDZYPYKAIB-UHFFFAOYSA-N 0 3 448.527 2.868 40 0 IFABHN Cc1noc(C)c1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257325133 568722280 /nfs/dbraw/zinc/72/22/80/568722280.db2.gz WRPADIZICJKBDB-HWBMXIPRSA-N 0 3 440.588 2.510 40 0 IFABHN CCOc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO ZINC000257337498 568727630 /nfs/dbraw/zinc/72/76/30/568727630.db2.gz YTAKEFLCTOMHRK-SFHVURJKSA-N 0 3 436.560 2.824 40 0 IFABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218205000 568740426 /nfs/dbraw/zinc/74/04/26/568740426.db2.gz ILUHTTGVUNWCNK-JJRVBVJISA-N 0 3 433.368 2.572 40 0 IFABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218204855 568740502 /nfs/dbraw/zinc/74/05/02/568740502.db2.gz ILUHTTGVUNWCNK-CKEIUWERSA-N 0 3 433.368 2.572 40 0 IFABHN O=C(c1cnccn1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306134003 568768278 /nfs/dbraw/zinc/76/82/78/568768278.db2.gz NBMCHOARZZQOOV-UHFFFAOYSA-N 0 3 444.539 2.960 40 0 IFABHN COc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)NC(C)(C)C)n2C3)cc1 ZINC000306138505 568770647 /nfs/dbraw/zinc/77/06/47/568770647.db2.gz RZDBGNFSODLACF-UHFFFAOYSA-N 0 3 427.549 2.628 40 0 IFABHN CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142751 568772918 /nfs/dbraw/zinc/77/29/18/568772918.db2.gz XIHJODYWJCKRNN-YADARESESA-N 0 3 427.545 2.918 40 0 IFABHN CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306143857 568773467 /nfs/dbraw/zinc/77/34/67/568773467.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 0 3 427.614 2.745 40 0 IFABHN CN(C)CCNc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328974326 568808176 /nfs/dbraw/zinc/80/81/76/568808176.db2.gz FFOFJBNJLVBJDT-UHFFFAOYSA-N 0 3 432.450 2.867 40 0 IFABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329034891 568809831 /nfs/dbraw/zinc/80/98/31/568809831.db2.gz RCHKKIBONVPJPG-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CN(C)CCNc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329044374 568810344 /nfs/dbraw/zinc/81/03/44/568810344.db2.gz SWUZOAWJFVWSQJ-UHFFFAOYSA-N 0 3 446.477 2.909 40 0 IFABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000575420367 568863317 /nfs/dbraw/zinc/86/33/17/568863317.db2.gz BGRDETJDESFHJL-IBGZPJMESA-N 0 3 430.636 2.522 40 0 IFABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000247794153 569206162 /nfs/dbraw/zinc/20/61/62/569206162.db2.gz BQVRWDZNERSIJN-NGRWLJPCSA-N 0 3 440.588 2.862 40 0 IFABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000247960632 569206703 /nfs/dbraw/zinc/20/67/03/569206703.db2.gz FCRIDGYCOYMMEJ-DRMXPCRNSA-N 0 3 428.577 2.573 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248105484 569207198 /nfs/dbraw/zinc/20/71/98/569207198.db2.gz LHAIHZNXGFPJCX-GLDPYIMESA-N 0 3 443.613 2.950 40 0 IFABHN O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 ZINC000019699497 569230617 /nfs/dbraw/zinc/23/06/17/569230617.db2.gz WXHRZZUVQQXMAN-UHFFFAOYSA-N 0 3 433.556 2.633 40 0 IFABHN CCn1nc(C)c(CN2CC[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)c1C ZINC000019702619 569232265 /nfs/dbraw/zinc/23/22/65/569232265.db2.gz HVKQIDOBFPVMSQ-INIZCTEOSA-N 0 3 427.574 2.841 40 0 IFABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1 ZINC000019760476 569237734 /nfs/dbraw/zinc/23/77/34/569237734.db2.gz FNROXJLWXLYIPC-HXUWFJFHSA-N 0 3 442.995 2.711 40 0 IFABHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025015315 569242001 /nfs/dbraw/zinc/24/20/01/569242001.db2.gz PCJCJTGUULEXLT-QFIPXVFZSA-N 0 3 441.597 2.652 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000252515813 569288206 /nfs/dbraw/zinc/28/82/06/569288206.db2.gz NUQIJOGDLJPESP-ZHALLVOQSA-N 0 3 438.343 2.897 40 0 IFABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1 ZINC000004237221 291343101 /nfs/dbraw/zinc/34/31/01/291343101.db2.gz OPPWWDBRBOWHGK-PKOBYXMFSA-N 0 3 429.524 2.626 40 0 biogenic,in-vitro IFABHN CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NCCN(C)C)[C@@H](CC)C2)c1 ZINC000005434171 291342576 /nfs/dbraw/zinc/34/25/76/291342576.db2.gz WJACWGJTFFWWSD-ROUUACIJSA-N 0 3 432.565 2.811 40 0 biogenic,in-vitro IFABHN Cc1cc(CN2CCC3(CC2)O[C@H](C(=O)NCc2ccccn2)Cn2ccnc23)oc1C ZINC000096243864 193943610 /nfs/dbraw/zinc/94/36/10/193943610.db2.gz GGMRXXFOSIDNAR-NRFANRHFSA-N 0 3 435.528 2.694 40 0 IFABHN CCOc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000012275597 520698754 /nfs/dbraw/zinc/69/87/54/520698754.db2.gz DNIKQCLYTOTKRA-SFHVURJKSA-N 0 3 425.533 2.769 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801354 521280719 /nfs/dbraw/zinc/28/07/19/521280719.db2.gz JGQSGLPHHUCJOI-FGZHOGPDSA-N 0 3 434.540 2.519 40 0 IFABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1F ZINC000012710716 521749253 /nfs/dbraw/zinc/74/92/53/521749253.db2.gz HVDGODNNLWTNCF-UHFFFAOYSA-N 0 3 426.448 2.992 40 0 IFABHN C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)N(CCN1CCCC1)c1ccccc1C(=O)N2 ZINC000012231867 525352848 /nfs/dbraw/zinc/35/28/48/525352848.db2.gz ITBOWPWXOCJLHP-NVQXNPDNSA-N 0 3 432.568 2.750 40 0 IFABHN CCN(CC)CCn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(OC)cc2)c1=O ZINC000000638584 555517546 /nfs/dbraw/zinc/51/75/46/555517546.db2.gz ZCEBPUVYUBHDSP-UHFFFAOYSA-N 0 3 441.528 2.579 40 0 IFABHN O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O)N1CCN2CCC[C@@H]2C1 ZINC000036621455 556530181 /nfs/dbraw/zinc/53/01/81/556530181.db2.gz YGAZCYVPNPJDSH-MRXNPFEDSA-N 0 3 433.503 2.947 40 0 IFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013647027 556544154 /nfs/dbraw/zinc/54/41/54/556544154.db2.gz GGUARDSGKFHZBB-SFHVURJKSA-N 0 3 437.606 2.864 40 0 IFABHN CN(C)CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000013671016 556551816 /nfs/dbraw/zinc/55/18/16/556551816.db2.gz NWHCQSIAYRLUJJ-UHFFFAOYSA-N 0 3 429.464 2.579 40 0 IFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000013671281 556552014 /nfs/dbraw/zinc/55/20/14/556552014.db2.gz VASTYHQLFJLGNP-UHFFFAOYSA-N 0 3 443.491 2.887 40 0 IFABHN CN(C)CCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000013676542 556554404 /nfs/dbraw/zinc/55/44/04/556554404.db2.gz KQBGWAHVYPCRPN-UHFFFAOYSA-N 0 3 433.618 2.598 40 0 IFABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257323787 556704577 /nfs/dbraw/zinc/70/45/77/556704577.db2.gz WLVHCYNUOISJBS-QHCPKHFHSA-N 0 3 425.508 2.569 40 0 IFABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257323786 556704583 /nfs/dbraw/zinc/70/45/83/556704583.db2.gz WLVHCYNUOISJBS-HSZRJFAPSA-N 0 3 425.508 2.569 40 0 IFABHN Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019235088 556719434 /nfs/dbraw/zinc/71/94/34/556719434.db2.gz SRTUUJMRTFHWBU-HXUWFJFHSA-N 0 3 430.574 2.512 40 0 IFABHN Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c1 ZINC000019235088 556719436 /nfs/dbraw/zinc/71/94/36/556719436.db2.gz SRTUUJMRTFHWBU-HXUWFJFHSA-N 0 3 430.574 2.512 40 0 IFABHN Cc1cccc(CN2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236158 556720908 /nfs/dbraw/zinc/72/09/08/556720908.db2.gz WGVJQMHFKQDVPD-KRWDZBQOSA-N 0 3 447.514 2.800 40 0 IFABHN O=C(c1cccnc1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000019372302 556748737 /nfs/dbraw/zinc/74/87/37/556748737.db2.gz OIMWXVUVBCQNMC-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN O=C(c1cccnc1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372302 556748741 /nfs/dbraw/zinc/74/87/41/556748741.db2.gz OIMWXVUVBCQNMC-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019499389 556771553 /nfs/dbraw/zinc/77/15/53/556771553.db2.gz KEVVMLYFPQQZKR-KKSFZXQISA-N 0 3 440.544 2.742 40 0 IFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019499389 556771554 /nfs/dbraw/zinc/77/15/54/556771554.db2.gz KEVVMLYFPQQZKR-KKSFZXQISA-N 0 3 440.544 2.742 40 0 IFABHN CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533245 556793380 /nfs/dbraw/zinc/79/33/80/556793380.db2.gz ALUFQGJXYNNFJB-IBGZPJMESA-N 0 3 436.556 2.843 40 0 IFABHN CCOc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533245 556793382 /nfs/dbraw/zinc/79/33/82/556793382.db2.gz ALUFQGJXYNNFJB-IBGZPJMESA-N 0 3 436.556 2.843 40 0 IFABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)c4cc5ccccc5c(=O)[nH]4)C3)cc(=O)[n-]2)CC1 ZINC000019588202 556824082 /nfs/dbraw/zinc/82/40/82/556824082.db2.gz RGNWZYNSNIYISQ-GOSISDBHSA-N 0 3 447.539 2.853 40 0 IFABHN CC(C)(C)CN1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 ZINC000019699415 556858822 /nfs/dbraw/zinc/85/88/22/556858822.db2.gz OGLXTMSMDRYIGX-UHFFFAOYSA-N 0 3 426.561 2.724 40 0 IFABHN CC(C)(C)CN1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699633 556859284 /nfs/dbraw/zinc/85/92/84/556859284.db2.gz QCVARVVXUXXMJF-IBGZPJMESA-N 0 3 426.561 2.724 40 0 IFABHN O=C(c1ccccc1)N1CC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019700765 556860235 /nfs/dbraw/zinc/86/02/35/556860235.db2.gz UIWDIRAQUGSKQH-QFIPXVFZSA-N 0 3 446.551 2.530 40 0 IFABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 ZINC000019707472 556867509 /nfs/dbraw/zinc/86/75/09/556867509.db2.gz YOVQDWMXPSVKAA-QGZVFWFLSA-N 0 3 437.544 2.620 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCN(C)c1ccccc1F)C2 ZINC000019710685 556874458 /nfs/dbraw/zinc/87/44/58/556874458.db2.gz ZBECUBMFDBHQTC-UHFFFAOYSA-N 0 3 440.567 2.878 40 0 IFABHN Cc1cc(NC(=O)Cn2cccc(C(=O)Nc3ccccc3CN3CCCC3)c2=O)no1 ZINC000019750152 556894341 /nfs/dbraw/zinc/89/43/41/556894341.db2.gz BALIIWCUMNGDSI-UHFFFAOYSA-N 0 3 435.484 2.632 40 0 IFABHN C[C@@H]1CCCN(CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756777 556900705 /nfs/dbraw/zinc/90/07/05/556900705.db2.gz VQISVXHZSPEVRY-MRXNPFEDSA-N 0 3 442.589 2.698 40 0 IFABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761765 556905234 /nfs/dbraw/zinc/90/52/34/556905234.db2.gz RHEKNWFSANCDRA-GOSISDBHSA-N 0 3 433.556 2.750 40 0 IFABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000072337886 556910887 /nfs/dbraw/zinc/91/08/87/556910887.db2.gz JHSCHRZCALCHAG-SNYIIPAISA-N 0 3 428.577 2.573 40 0 IFABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374865 556949417 /nfs/dbraw/zinc/94/94/17/556949417.db2.gz MXHQKFXWBIJUNG-HXUWFJFHSA-N 0 3 438.576 2.969 40 0 IFABHN COc1ccc(CN2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056148 557167144 /nfs/dbraw/zinc/16/71/44/557167144.db2.gz BRCVXAOOMNLZAV-OFVILXPXSA-N 0 3 435.572 2.730 40 0 IFABHN O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243858 557187866 /nfs/dbraw/zinc/18/78/66/557187866.db2.gz FNNPKBZLWWUURX-OAQYLSRUSA-N 0 3 435.503 2.624 40 0 IFABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096262304 557189737 /nfs/dbraw/zinc/18/97/37/557189737.db2.gz NIQZXRYZNJGGGA-XZOQPEGZSA-N 0 3 448.567 2.675 40 0 IFABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 ZINC000585270464 557214095 /nfs/dbraw/zinc/21/40/95/557214095.db2.gz KQJFJOAFTVKSKU-NRFANRHFSA-N 0 3 442.556 2.958 40 0 IFABHN Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 ZINC000585282474 557221694 /nfs/dbraw/zinc/22/16/94/557221694.db2.gz DTBMGNPCTUBIKV-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284699 557224515 /nfs/dbraw/zinc/22/45/15/557224515.db2.gz ZAVAEJFTWZCLJI-HSZRJFAPSA-N 0 3 436.499 2.548 40 0 IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382702 557237093 /nfs/dbraw/zinc/23/70/93/557237093.db2.gz ZCYJSVSSSAZDEI-GXRSIYKFSA-N 0 3 433.508 2.563 40 0 biogenic,in-vitro IFABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000113944886 557380393 /nfs/dbraw/zinc/38/03/93/557380393.db2.gz XRTIRMZJRKVMEA-AWEZNQCLSA-N 0 3 448.416 2.746 40 0 IFABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 ZINC000223173049 557441245 /nfs/dbraw/zinc/44/12/45/557441245.db2.gz XKPIDEDKUFHSEO-DHIUTWEWSA-N 0 3 448.596 2.962 40 0 IFABHN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020082129 557515029 /nfs/dbraw/zinc/51/50/29/557515029.db2.gz LTTLHZSHVOGAMK-DENIHFKCSA-N 0 3 433.560 2.808 40 0 IFABHN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020082131 557515110 /nfs/dbraw/zinc/51/51/10/557515110.db2.gz LTTLHZSHVOGAMK-KNQAVFIVSA-N 0 3 433.560 2.808 40 0 IFABHN COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1 ZINC000224327065 557592074 /nfs/dbraw/zinc/59/20/74/557592074.db2.gz QZCFDGTVELTJAQ-UHFFFAOYSA-N 0 3 431.558 2.653 40 0 IFABHN CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1OC ZINC000224830194 557656471 /nfs/dbraw/zinc/65/64/71/557656471.db2.gz NCKNDOFAASNXNU-UHFFFAOYSA-N 0 3 445.585 2.909 40 0 IFABHN O=C(CN1CCCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000585262298 568616320 /nfs/dbraw/zinc/61/63/20/568616320.db2.gz KAKOKVMOYWJVBV-KAHCWPQKSA-N 0 3 449.595 2.596 40 0 IFABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 ZINC000585270726 568617114 /nfs/dbraw/zinc/61/71/14/568617114.db2.gz PKIVHYKPCNPLJT-OAQYLSRUSA-N 0 3 442.556 2.958 40 0 IFABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 ZINC000585270725 568617271 /nfs/dbraw/zinc/61/72/71/568617271.db2.gz PKIVHYKPCNPLJT-NRFANRHFSA-N 0 3 442.556 2.958 40 0 IFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288227 568619259 /nfs/dbraw/zinc/61/92/59/568619259.db2.gz YWXVWKOYFYHLHM-QFIPXVFZSA-N 0 3 426.504 2.588 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585288135 568619368 /nfs/dbraw/zinc/61/93/68/568619368.db2.gz XGZBJKFTNSFUDE-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)ncn1 ZINC000257207224 568668584 /nfs/dbraw/zinc/66/85/84/568668584.db2.gz BGWHQGZIVABRHN-SFHLNBCPSA-N 0 3 432.572 2.911 40 0 IFABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)CC1 ZINC000257246570 568686774 /nfs/dbraw/zinc/68/67/74/568686774.db2.gz IUSFXKYKIAQUPF-JOCHJYFZSA-N 0 3 447.583 2.702 40 0 IFABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)c2cn[nH]c2)CC1 ZINC000257252207 568689602 /nfs/dbraw/zinc/68/96/02/568689602.db2.gz JTXXFNAXEALYGP-YJMBLLCNSA-N 0 3 444.551 2.986 40 0 IFABHN c1cn2nc(C[C@H]3COCCN(Cc4ccccc4OCCN4CCCC4)C3)ccc2n1 ZINC000257255080 568690919 /nfs/dbraw/zinc/69/09/19/568690919.db2.gz KGACDFFDZQKAPH-OAQYLSRUSA-N 0 3 435.572 2.895 40 0 IFABHN CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)[C@H](c2ccccc2)C1 ZINC000257257598 568692244 /nfs/dbraw/zinc/69/22/44/568692244.db2.gz KQIDUSOZQJZUEQ-QFIPXVFZSA-N 0 3 435.572 2.814 40 0 IFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306131162 568766774 /nfs/dbraw/zinc/76/67/74/568766774.db2.gz JXXSZYZOVRJIED-JKSUJKDBSA-N 0 3 435.459 2.703 40 0 IFABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134886 568768670 /nfs/dbraw/zinc/76/86/70/568768670.db2.gz OAMZMLMXGOEXAZ-AHWVRZQESA-N 0 3 444.535 2.882 40 0 IFABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134887 568768768 /nfs/dbraw/zinc/76/87/68/568768768.db2.gz OAMZMLMXGOEXAZ-AOYPEHQESA-N 0 3 444.535 2.882 40 0 IFABHN CN(C)CCN1C[C@@H]2N(S(=O)(=O)c3cccs3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306142417 568772609 /nfs/dbraw/zinc/77/26/09/568772609.db2.gz WYXIHSPVKWMMAC-UGKGYDQZSA-N 0 3 447.626 2.633 40 0 IFABHN CN(C)CCN1C[C@H]2N(S(=O)(=O)c3cccs3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306142414 568772688 /nfs/dbraw/zinc/77/26/88/568772688.db2.gz WYXIHSPVKWMMAC-DENIHFKCSA-N 0 3 447.626 2.633 40 0 IFABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccn2)n1 ZINC000329003403 568809011 /nfs/dbraw/zinc/80/90/11/568809011.db2.gz KMOKEOOZYXZOTC-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN O=S1(=O)C[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)[C@H](O)C1 ZINC000575420927 568862952 /nfs/dbraw/zinc/86/29/52/568862952.db2.gz LBDSYOHBVGGFRW-VQTJNVASSA-N 0 3 443.396 2.743 40 0 IFABHN O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000575420921 568862997 /nfs/dbraw/zinc/86/29/97/568862997.db2.gz LBDSYOHBVGGFRW-PMACEKPBSA-N 0 3 443.396 2.743 40 0 IFABHN O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 ZINC000575422307 568863687 /nfs/dbraw/zinc/86/36/87/568863687.db2.gz UUFDUFHSMBIELB-WOJBJXKFSA-N 0 3 443.396 2.743 40 0 IFABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000247879835 569206299 /nfs/dbraw/zinc/20/62/99/569206299.db2.gz IJQKWVHSIMOULQ-WUMKDDEVSA-N 0 3 439.556 2.831 40 0 IFABHN COc1cccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC ZINC000012219525 569224893 /nfs/dbraw/zinc/22/48/93/569224893.db2.gz CRINLJYVKLZJOJ-SFHVURJKSA-N 0 3 437.544 2.964 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000019699311 569230363 /nfs/dbraw/zinc/23/03/63/569230363.db2.gz JOISOFQPVMZKJP-UHFFFAOYSA-N 0 3 447.583 2.675 40 0 IFABHN O=C(c1ccccc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699496 569230591 /nfs/dbraw/zinc/23/05/91/569230591.db2.gz SXGBMPKQJCNDIW-UHFFFAOYSA-N 0 3 446.551 2.878 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019699955 569230863 /nfs/dbraw/zinc/23/08/63/569230863.db2.gz OKXWOPBGBBQCAT-QHCPKHFHSA-N 0 3 447.583 2.880 40 0 IFABHN Cc1cc(=O)n(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)c2ccccc12 ZINC000019760345 569237569 /nfs/dbraw/zinc/23/75/69/569237569.db2.gz WIOLDCJPUPDLBG-HXUWFJFHSA-N 0 3 448.571 2.639 40 0 IFABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1 ZINC000019760473 569237707 /nfs/dbraw/zinc/23/77/07/569237707.db2.gz FNROXJLWXLYIPC-FQEVSTJZSA-N 0 3 442.995 2.711 40 0 IFABHN O=C(c1ccccc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699392 569327071 /nfs/dbraw/zinc/32/70/71/569327071.db2.gz IONVZXCBZQIJIH-QFIPXVFZSA-N 0 3 446.551 2.878 40 0 IFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218157466 569456503 /nfs/dbraw/zinc/45/65/03/569456503.db2.gz KFEZPHKSZLBFFM-CNNODRBYSA-N 0 3 446.525 2.577 40 0 IFABHN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN(C)C)c(=O)n1C2 ZINC000004237231 291342009 /nfs/dbraw/zinc/34/20/09/291342009.db2.gz XRXYZHLYUUHZRO-PKOBYXMFSA-N 0 3 429.586 2.736 40 0 biogenic,in-vitro IFABHN COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)N(C)Cc3cccnc3)CC(=O)N(C)C2)c1 ZINC000096113471 291347125 /nfs/dbraw/zinc/34/71/25/291347125.db2.gz YTHNLFPMVDCFMS-FGZHOGPDSA-N 0 3 438.572 2.856 40 0 biogenic,in-vitro IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674631 521092625 /nfs/dbraw/zinc/09/26/25/521092625.db2.gz NDCWRDAJXXOZTG-VXKWHMMOSA-N 0 3 434.540 2.519 40 0 IFABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NCc1ccccc1 ZINC000012709908 521749197 /nfs/dbraw/zinc/74/91/97/521749197.db2.gz ANLXODKEWHSJIU-UHFFFAOYSA-N 0 3 436.512 2.573 40 0 IFABHN CCCCOc1c(NC(=O)CN2CCOCC2)cccc1C(=O)OCCN(CC)CC ZINC000004791969 556012103 /nfs/dbraw/zinc/01/21/03/556012103.db2.gz QPKNILMQBRRTMF-UHFFFAOYSA-N 0 3 435.565 2.635 40 0 IFABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCCOC)cc2c1 ZINC000006196624 556080208 /nfs/dbraw/zinc/08/02/08/556080208.db2.gz UULGNXKXTHLOKU-UHFFFAOYSA-N 0 3 446.617 2.736 40 0 IFABHN Cc1ccc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 ZINC000039773036 556437877 /nfs/dbraw/zinc/43/78/77/556437877.db2.gz VGTCYADUIHVPCH-UHFFFAOYSA-N 0 3 441.597 2.740 40 0 IFABHN C[C@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1 ZINC000019077907 556695257 /nfs/dbraw/zinc/69/52/57/556695257.db2.gz BZWHBIZGLZXWCG-GOSISDBHSA-N 0 3 435.572 2.799 40 0 IFABHN CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C[C@@]1(C)O ZINC000257222525 556707801 /nfs/dbraw/zinc/70/78/01/556707801.db2.gz DTPJBKCHFNPUHR-ZGFBMJKBSA-N 0 3 439.556 2.670 40 0 IFABHN Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019210477 556708865 /nfs/dbraw/zinc/70/88/65/556708865.db2.gz YZYUJQVZJIJIEN-HXUWFJFHSA-N 0 3 430.574 2.512 40 0 IFABHN Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019210477 556708866 /nfs/dbraw/zinc/70/88/66/556708866.db2.gz YZYUJQVZJIJIEN-HXUWFJFHSA-N 0 3 430.574 2.512 40 0 IFABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257299391 556717054 /nfs/dbraw/zinc/71/70/54/556717054.db2.gz RPWVTYKPZYPWQQ-RUZDIDTESA-N 0 3 438.572 2.546 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019342781 556740710 /nfs/dbraw/zinc/74/07/10/556740710.db2.gz BEDCHVQRIPABLT-QGZVFWFLSA-N 0 3 435.553 2.805 40 0 IFABHN O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000019372300 556748655 /nfs/dbraw/zinc/74/86/55/556748655.db2.gz VTMXTJZFFGHQRX-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372300 556748659 /nfs/dbraw/zinc/74/86/59/556748659.db2.gz VTMXTJZFFGHQRX-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000060016399 556805806 /nfs/dbraw/zinc/80/58/06/556805806.db2.gz JJZWQJXLFLTGNE-CYFREDJKSA-N 0 3 443.613 2.951 40 0 IFABHN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1C ZINC000019571431 556811641 /nfs/dbraw/zinc/81/16/41/556811641.db2.gz XZGQJPQUAXGEKA-IBGZPJMESA-N 0 3 446.573 2.792 40 0 IFABHN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1C ZINC000019571431 556811643 /nfs/dbraw/zinc/81/16/43/556811643.db2.gz XZGQJPQUAXGEKA-IBGZPJMESA-N 0 3 446.573 2.792 40 0 IFABHN COCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019592789 556828880 /nfs/dbraw/zinc/82/88/80/556828880.db2.gz FUQZUWBRFAXNIV-SFHVURJKSA-N 0 3 430.574 2.976 40 0 IFABHN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 ZINC000019694655 556850842 /nfs/dbraw/zinc/85/08/42/556850842.db2.gz LFFPOKYYULIOOC-LJQANCHMSA-N 0 3 441.551 2.777 40 0 IFABHN CC[C@@H]1CCCCN1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000019705820 556863284 /nfs/dbraw/zinc/86/32/84/556863284.db2.gz WIBUTPVHYRRBSF-OAQYLSRUSA-N 0 3 428.577 2.525 40 0 IFABHN CC[C@H]1CCCCN1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000019705821 556863311 /nfs/dbraw/zinc/86/33/11/556863311.db2.gz WIBUTPVHYRRBSF-NRFANRHFSA-N 0 3 428.577 2.525 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCOc1cccc(F)c1)C2 ZINC000019710927 556874826 /nfs/dbraw/zinc/87/48/26/556874826.db2.gz OTEKZUZXSAWXTM-UHFFFAOYSA-N 0 3 427.524 2.820 40 0 IFABHN C[C@@H]1CCCN(CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756462 556900287 /nfs/dbraw/zinc/90/02/87/556900287.db2.gz VIJHPQNKTSARFB-MRXNPFEDSA-N 0 3 444.605 2.642 40 0 IFABHN CC(=O)Nc1ccc(CN2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1 ZINC000072334513 556907141 /nfs/dbraw/zinc/90/71/41/556907141.db2.gz DVHXXUWGRRPBSU-BKMJKUGQSA-N 0 3 448.567 2.716 40 0 IFABHN COc1cc(CN2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353451 556926851 /nfs/dbraw/zinc/92/68/51/556926851.db2.gz JEMRRNQXROOUQP-GOSISDBHSA-N 0 3 448.527 2.868 40 0 IFABHN CNc1nc(C2CCN(C(=O)[C@H](c3ccccc3)N3CCCC3)CC2)nc2c1CCNC2 ZINC000072372412 556942476 /nfs/dbraw/zinc/94/24/76/556942476.db2.gz AHYPVPZRPDKHHO-QFIPXVFZSA-N 0 3 434.588 2.707 40 0 IFABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4nc(C)n5ccccc45)C[C@H]32)c(OCC)n1 ZINC000072392650 556963846 /nfs/dbraw/zinc/96/38/46/556963846.db2.gz LEJMWLDIQMBZJZ-RGZWJVDOSA-N 0 3 437.544 2.960 40 0 IFABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(Oc5ncccn5)c4)C[C@H]32)c(OC)n1 ZINC000072392635 556963984 /nfs/dbraw/zinc/96/39/84/556963984.db2.gz PRXUASPVQXPOIC-WPSZSDGUSA-N 0 3 449.511 2.806 40 0 IFABHN O=C(C1CC(O)C1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000585106364 557039802 /nfs/dbraw/zinc/03/98/02/557039802.db2.gz FEBBSDSWZGYBNF-UHFFFAOYSA-N 0 3 436.556 2.627 40 0 IFABHN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1CN1CCCCC1 ZINC000024182350 557140121 /nfs/dbraw/zinc/14/01/21/557140121.db2.gz GWKUNPYCDLXKJG-UHFFFAOYSA-N 0 3 441.553 2.524 40 0 IFABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccccc1 ZINC000006198578 557150387 /nfs/dbraw/zinc/15/03/87/557150387.db2.gz RDSNCERFKWMEGL-UHFFFAOYSA-N 0 3 438.553 2.695 40 0 IFABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096143575 557170371 /nfs/dbraw/zinc/17/03/71/557170371.db2.gz ZFLXUHRDNPIOPY-LEWJYISDSA-N 0 3 438.959 2.930 40 0 IFABHN CN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)Cc3ccccc3)CC[C@@H]12 ZINC000096145281 557174712 /nfs/dbraw/zinc/17/47/12/557174712.db2.gz IKPMIFNRHMYYLK-FYYLOGMGSA-N 0 3 427.570 2.941 40 0 IFABHN Cn1cc(CN2C[C@@H]3CN(C(=O)C4CCCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251465 557188483 /nfs/dbraw/zinc/18/84/83/557188483.db2.gz QZBPZMVKRIAMAQ-RDGATRHJSA-N 0 3 441.620 2.567 40 0 IFABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c1 ZINC000585270151 557214325 /nfs/dbraw/zinc/21/43/25/557214325.db2.gz HIBZNLTZDILHKE-HXUWFJFHSA-N 0 3 428.529 2.568 40 0 IFABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000585283799 557223083 /nfs/dbraw/zinc/22/30/83/557223083.db2.gz HTMBJMPORAXSFX-UNMCSNQZSA-N 0 3 436.474 2.752 40 0 IFABHN Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)cc1 ZINC000585285046 557224583 /nfs/dbraw/zinc/22/45/83/557224583.db2.gz VQJCHZHNEOKSFV-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000057774452 557264481 /nfs/dbraw/zinc/26/44/81/557264481.db2.gz IJQKWVHSIMOULQ-YGOYIFOWSA-N 0 3 439.556 2.831 40 0 IFABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000113944617 557380463 /nfs/dbraw/zinc/38/04/63/557380463.db2.gz IZRNKYZGQODKAC-AWEZNQCLSA-N 0 3 448.416 2.746 40 0 IFABHN CN1CCC(Oc2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000223259658 557452101 /nfs/dbraw/zinc/45/21/01/557452101.db2.gz XMMGSVZGXJBPNX-UHFFFAOYSA-N 0 3 431.558 2.560 40 0 IFABHN CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224466999 557609438 /nfs/dbraw/zinc/60/94/38/557609438.db2.gz UGLYHWRSDAINKC-UHFFFAOYSA-N 0 3 445.585 2.730 40 0 IFABHN O=c1sc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2n1Cc1ccccc1 ZINC000225745648 557771998 /nfs/dbraw/zinc/77/19/98/557771998.db2.gz NVMNTPBNHYHXEG-UHFFFAOYSA-N 0 3 431.583 2.876 40 0 IFABHN CN([C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000260800754 557857509 /nfs/dbraw/zinc/85/75/09/557857509.db2.gz WKRNOEYHPNETMA-NRFANRHFSA-N 0 3 431.558 2.731 40 0 IFABHN Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccccc3C)CC2)C1 ZINC000585287816 568619295 /nfs/dbraw/zinc/61/92/95/568619295.db2.gz SKYBCOKZUNGFKZ-SANMLTNESA-N 0 3 440.584 2.777 40 0 IFABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 ZINC000257283244 568703535 /nfs/dbraw/zinc/70/35/35/568703535.db2.gz OXLIVOKVYGYYQK-KRWDZBQOSA-N 0 3 432.546 2.509 40 0 IFABHN NC[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239130 568740949 /nfs/dbraw/zinc/74/09/49/568740949.db2.gz KABRPIILECQRPU-ULQDDVLXSA-N 0 3 430.751 2.980 40 0 IFABHN COc1ccc(CN2CCO[C@@]3(CN(Cc4ccncc4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306124209 568763030 /nfs/dbraw/zinc/76/30/30/568763030.db2.gz BJKXEURDONELMM-AOYPEHQESA-N 0 3 444.535 2.882 40 0 IFABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000306124333 568763295 /nfs/dbraw/zinc/76/32/95/568763295.db2.gz BMTYZXCXRCVGMH-UHFFFAOYSA-N 0 3 448.527 2.922 40 0 IFABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126543 568764433 /nfs/dbraw/zinc/76/44/33/568764433.db2.gz DYTMTPNGONNGEC-XUZZJYLKSA-N 0 3 433.560 2.611 40 0 IFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133233 568767565 /nfs/dbraw/zinc/76/75/65/568767565.db2.gz MGBCMGLUDXOWNN-RSXGOPAZSA-N 0 3 444.535 2.882 40 0 IFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(OC)cc3)CC1)COC2 ZINC000306134450 568768385 /nfs/dbraw/zinc/76/83/85/568768385.db2.gz NNUMVSMBRGXGKG-KRWDZBQOSA-N 0 3 427.549 2.628 40 0 IFABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 ZINC000306138753 568770619 /nfs/dbraw/zinc/77/06/19/568770619.db2.gz SGIIZUPYOWHMGU-QFIPXVFZSA-N 0 3 428.606 2.801 40 0 IFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138892 568771088 /nfs/dbraw/zinc/77/10/88/568771088.db2.gz SKGZTOYPPFTCHU-AOYPEHQESA-N 0 3 444.535 2.882 40 0 IFABHN CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142750 568772814 /nfs/dbraw/zinc/77/28/14/568772814.db2.gz XIHJODYWJCKRNN-NTKDMRAZSA-N 0 3 427.545 2.918 40 0 IFABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142573 568772870 /nfs/dbraw/zinc/77/28/70/568772870.db2.gz XDNHAUNNAALRLY-ZCYQVOJMSA-N 0 3 429.524 2.577 40 0 IFABHN COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773195 /nfs/dbraw/zinc/77/31/95/568773195.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 0 3 449.642 2.773 40 0 IFABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000575422687 568863875 /nfs/dbraw/zinc/86/38/75/568863875.db2.gz MRHPTWINHJWTGV-LJQANCHMSA-N 0 3 430.636 2.720 40 0 IFABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242522199 568956276 /nfs/dbraw/zinc/95/62/76/568956276.db2.gz ILUHTTGVUNWCNK-VBQJREDUSA-N 0 3 433.368 2.572 40 0 IFABHN C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000248149739 569207438 /nfs/dbraw/zinc/20/74/38/569207438.db2.gz WXUNKRPLHVKSKK-HGSOSGBHSA-N 0 3 435.568 2.721 40 0 IFABHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009062722 569219585 /nfs/dbraw/zinc/21/95/85/569219585.db2.gz RTQYIZGDIWJEAS-UHFFFAOYSA-N 0 3 445.560 2.877 40 0 IFABHN COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 ZINC000012219513 569224880 /nfs/dbraw/zinc/22/48/80/569224880.db2.gz ALJRRBXMDIXKMA-IBGZPJMESA-N 0 3 437.544 2.964 40 0 IFABHN COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC ZINC000012219506 569224936 /nfs/dbraw/zinc/22/49/36/569224936.db2.gz ONSYXVGVXIXUPS-LJQANCHMSA-N 0 3 437.544 2.964 40 0 IFABHN CC(C)(C)C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699318 569230371 /nfs/dbraw/zinc/23/03/71/569230371.db2.gz IJLXDPSNHWJQNQ-UHFFFAOYSA-N 0 3 440.588 2.653 40 0 IFABHN CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699963 569231026 /nfs/dbraw/zinc/23/10/26/569231026.db2.gz ANISMXYTEOJNML-NRFANRHFSA-N 0 3 440.588 2.653 40 0 IFABHN CCc1cc(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)NCCN(C)C)C2)on1 ZINC000019702436 569232041 /nfs/dbraw/zinc/23/20/41/569232041.db2.gz HQOYKHCOLQBRSV-AWEZNQCLSA-N 0 3 441.557 2.768 40 0 IFABHN O=C(c1ccccc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699391 569327075 /nfs/dbraw/zinc/32/70/75/569327075.db2.gz IONVZXCBZQIJIH-JOCHJYFZSA-N 0 3 446.551 2.878 40 0 IFABHN CC(C)([NH3+])C(=O)N1CCC(c2cncc([N-]c3ncc(CC(F)(F)F)s3)n2)CC1 ZINC000585263104 569583055 /nfs/dbraw/zinc/58/30/55/569583055.db2.gz KKMMHDPCUKIEAB-UHFFFAOYSA-N 0 3 428.484 3.225 40 0 IFABHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC(=O)N(C)C1 ZINC000096113510 291348996 /nfs/dbraw/zinc/34/89/96/291348996.db2.gz YVSZTURNBYLWMO-YLJYHZDGSA-N 0 3 448.514 2.993 40 0 biogenic,in-vitro IFABHN C[C@H]1Cc2cc(CN3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)ccc2O1 ZINC000019765806 193917724 /nfs/dbraw/zinc/91/77/24/193917724.db2.gz INZDFSGZSNKCCK-KRWDZBQOSA-N 0 3 436.556 2.839 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801366 521093358 /nfs/dbraw/zinc/09/33/58/521093358.db2.gz JGQSGLPHHUCJOI-VXKWHMMOSA-N 0 3 434.540 2.519 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801654 521093630 /nfs/dbraw/zinc/09/36/30/521093630.db2.gz YLQHYDSOFYPQGU-VQTJNVASSA-N 0 3 440.931 2.868 40 0 IFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801576 521279699 /nfs/dbraw/zinc/27/96/99/521279699.db2.gz VDVSVDWZNRJAPU-RTWAWAEBSA-N 0 3 438.503 2.663 40 0 IFABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)C[C@H](O)CC2 ZINC000021981357 527183138 /nfs/dbraw/zinc/18/31/38/527183138.db2.gz ABWPQNZPAOAQSG-QGZVFWFLSA-N 0 3 426.492 2.561 40 0 in-vitro IFABHN O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020862898 527426363 /nfs/dbraw/zinc/42/63/63/527426363.db2.gz NJHBLSCQPXUJPX-UHFFFAOYSA-N 0 3 433.487 2.569 40 0 IFABHN CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1 ZINC000036719508 556309666 /nfs/dbraw/zinc/30/96/66/556309666.db2.gz YLCQTVRZVARRAE-XARZLDAJSA-N 0 3 440.540 2.973 40 0 IFABHN COc1cccc(OC)c1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219496 556403075 /nfs/dbraw/zinc/40/30/75/556403075.db2.gz WDGDYQNUFIUMRY-GOSISDBHSA-N 0 3 437.544 2.964 40 0 IFABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242543444 556571872 /nfs/dbraw/zinc/57/18/72/556571872.db2.gz KABRPIILECQRPU-ZACQAIPSSA-N 0 3 430.751 2.980 40 0 IFABHN CN1CCN(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000044913730 556681408 /nfs/dbraw/zinc/68/14/08/556681408.db2.gz ZAXHFPSPGALMPY-UHFFFAOYSA-N 0 3 427.420 2.959 40 0 IFABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCN(c4ccc(F)cn4)C3)cc2)n1 ZINC000257229683 556708957 /nfs/dbraw/zinc/70/89/57/556708957.db2.gz FZDIZNIQYYDYMF-XMMPIXPASA-N 0 3 439.535 2.844 40 0 IFABHN COc1ccccc1[C@@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@]12CCCCC(=O)N2 ZINC000257235493 556709788 /nfs/dbraw/zinc/70/97/88/556709788.db2.gz GYCGETJEYHFAKB-RXFWQSSRSA-N 0 3 448.567 2.914 40 0 IFABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 ZINC000019234505 556718788 /nfs/dbraw/zinc/71/87/88/556718788.db2.gz FFUCCAFLGOLPSU-QHCPKHFHSA-N 0 3 444.597 2.724 40 0 IFABHN Cc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236386 556721196 /nfs/dbraw/zinc/72/11/96/556721196.db2.gz IGSRXEZLHYVEOT-SQJMNOBHSA-N 0 3 435.572 2.650 40 0 IFABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000019236914 556721845 /nfs/dbraw/zinc/72/18/45/556721845.db2.gz YOUIWECYOLOKDI-QHCPKHFHSA-N 0 3 444.597 2.724 40 0 IFABHN O=C(NCCCn1cncn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372558 556749055 /nfs/dbraw/zinc/74/90/55/556749055.db2.gz HDTXHQUZEMJPKX-FGZHOGPDSA-N 0 3 435.503 2.555 40 0 IFABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ncccc3C)C[C@H]2C1=O ZINC000019526396 556784589 /nfs/dbraw/zinc/78/45/89/556784589.db2.gz AVMXFEUCEYQGQT-LVXARBLLSA-N 0 3 449.599 2.699 40 0 IFABHN CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(C)c(C)c3)CC1)C2=O ZINC000019699516 556858935 /nfs/dbraw/zinc/85/89/35/556858935.db2.gz QXRXMSFVTWEDOA-UHFFFAOYSA-N 0 3 442.560 2.811 40 0 IFABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CCOc1cccc(F)c1)CC2 ZINC000019711391 556875765 /nfs/dbraw/zinc/87/57/65/556875765.db2.gz XYNQARVWBJKHNX-UHFFFAOYSA-N 0 3 427.524 2.820 40 0 IFABHN CCOC(=O)[C@@H]1CN(CCCCOc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334290 556906962 /nfs/dbraw/zinc/90/69/62/556906962.db2.gz DKVCBIRWDIWIOX-OFVILXPXSA-N 0 3 438.524 2.902 40 0 IFABHN CNc1nc(C2CCN(C(=O)[C@@H](c3ccccc3)N3CCCC3)CC2)nc2c1CCNC2 ZINC000072372411 556942596 /nfs/dbraw/zinc/94/25/96/556942596.db2.gz AHYPVPZRPDKHHO-JOCHJYFZSA-N 0 3 434.588 2.707 40 0 IFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CN2CCCCCC2)cc1 ZINC000072377104 556955779 /nfs/dbraw/zinc/95/57/79/556955779.db2.gz OOJILMYXFQQGMU-HXUWFJFHSA-N 0 3 436.560 2.754 40 0 IFABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cn(C)c5ccc(F)cc45)C[C@H]32)c(OC)n1 ZINC000072392620 556964021 /nfs/dbraw/zinc/96/40/21/556964021.db2.gz QYPSDOOEDAPTAO-LEDSTXDGSA-N 0 3 426.492 2.854 40 0 IFABHN COc1cc(CC(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc(OC)c1OC ZINC000072395247 556966730 /nfs/dbraw/zinc/96/67/30/556966730.db2.gz WXKFGNOESDMREH-IBGZPJMESA-N 0 3 428.529 2.915 40 0 IFABHN COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)c(OC)n1 ZINC000072395415 556967414 /nfs/dbraw/zinc/96/74/14/556967414.db2.gz OAZZIUJICVXTEU-YQOVMPOYSA-N 0 3 449.511 2.806 40 0 IFABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293013 556999598 /nfs/dbraw/zinc/99/95/98/556999598.db2.gz QNUMIIOHSBFBEM-IKGGRYGDSA-N 0 3 440.544 2.761 40 0 IFABHN O=C1C[C@]2(CN1Cc1cncs1)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103631 557035851 /nfs/dbraw/zinc/03/58/51/557035851.db2.gz LHPILRRRTFYCBU-NRFANRHFSA-N 0 3 441.582 2.913 40 0 IFABHN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036581 557163853 /nfs/dbraw/zinc/16/38/53/557163853.db2.gz INWIIYLOCDYKIR-XMMPIXPASA-N 0 3 428.577 2.513 40 0 IFABHN COc1cccc(NC(=O)N2CCC3(CN(Cc4cccnc4)C[C@@]34CCNC4=O)CC2)c1 ZINC000096091182 557168836 /nfs/dbraw/zinc/16/88/36/557168836.db2.gz VXCKAZKUQPRRQT-RUZDIDTESA-N 0 3 449.555 2.726 40 0 IFABHN Cc1nc(Cn2cnc(-c3nc(C(=O)NCCN4CCCC4)c4ccccn43)c2)cs1 ZINC000096155038 557179176 /nfs/dbraw/zinc/17/91/76/557179176.db2.gz QXGLKOVSVUPSNI-UHFFFAOYSA-N 0 3 435.557 2.837 40 0 IFABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2CCCN(C)C2)cc1OC ZINC000096236466 557185370 /nfs/dbraw/zinc/18/53/70/557185370.db2.gz NWHFPEJZKCTXDU-SFHVURJKSA-N 0 3 425.529 2.957 40 0 IFABHN COCCOc1cc(CN2CC[C@](O)(CN(C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212397 /nfs/dbraw/zinc/21/23/97/557212397.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 0 3 444.572 2.798 40 0 IFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000585269799 557213691 /nfs/dbraw/zinc/21/36/91/557213691.db2.gz KGFMNFTWSVGJSI-NRFANRHFSA-N 0 3 442.556 2.958 40 0 IFABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585282046 557221113 /nfs/dbraw/zinc/22/11/13/557221113.db2.gz GHUNRVRADDRBQE-HXUWFJFHSA-N 0 3 430.904 2.542 40 0 IFABHN CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282609 557221633 /nfs/dbraw/zinc/22/16/33/557221633.db2.gz LSJYPJXNDJVQSB-QHCPKHFHSA-N 0 3 436.499 2.548 40 0 IFABHN CCCC(CCC)N1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283561 557223121 /nfs/dbraw/zinc/22/31/21/557223121.db2.gz RXZJBXIHVVJJAC-JOCHJYFZSA-N 0 3 428.520 2.834 40 0 IFABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)c1 ZINC000585284946 557224400 /nfs/dbraw/zinc/22/44/00/557224400.db2.gz BCXKTSQZNJMXKX-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000585285274 557224997 /nfs/dbraw/zinc/22/49/97/557224997.db2.gz WVUMQPQJFPKUQA-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287596 557227721 /nfs/dbraw/zinc/22/77/21/557227721.db2.gz PKNJSJAEQBISCO-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN COCCN(CCOC)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000057775359 557265129 /nfs/dbraw/zinc/26/51/29/557265129.db2.gz JICGHTLEJXHJCS-UHFFFAOYSA-N 0 3 429.565 2.559 40 0 IFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000017102213 557491041 /nfs/dbraw/zinc/49/10/41/557491041.db2.gz LAQKGFKJWVBQDK-LEWJYISDSA-N 0 3 438.503 2.663 40 0 IFABHN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553415 557500681 /nfs/dbraw/zinc/50/06/81/557500681.db2.gz WILLQERCGGMVNI-FCHUYYIVSA-N 0 3 426.565 2.510 40 0 IFABHN CN(c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1)S(C)(=O)=O ZINC000225743159 557771721 /nfs/dbraw/zinc/77/17/21/557771721.db2.gz BUJQUBCOGQBEAQ-UHFFFAOYSA-N 0 3 432.615 2.817 40 0 IFABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 ZINC000585270009 568616846 /nfs/dbraw/zinc/61/68/46/568616846.db2.gz AYKRXJKPMYLSNO-FQEVSTJZSA-N 0 3 428.529 2.568 40 0 IFABHN CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(CN(C)C)cc2)(c2ccccc2)CC[C@@H]1O ZINC000257210066 568669761 /nfs/dbraw/zinc/66/97/61/568669761.db2.gz BSZRVDFCALWKBI-GNKBHMEESA-N 0 3 437.584 2.856 40 0 IFABHN Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257254713 568690633 /nfs/dbraw/zinc/69/06/33/568690633.db2.gz KEIRAGLHFWYQIJ-NRFANRHFSA-N 0 3 448.571 2.522 40 0 IFABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 ZINC000257323097 568721373 /nfs/dbraw/zinc/72/13/73/568721373.db2.gz WITWRSBHMYOGRF-GOSISDBHSA-N 0 3 446.573 2.899 40 0 IFABHN COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC[C@H]21 ZINC000257342338 568729333 /nfs/dbraw/zinc/72/93/33/568729333.db2.gz ZOEMFGNMQVOGNN-JTHBVZDNSA-N 0 3 443.588 2.651 40 0 IFABHN COc1ccc(CN2CCO[C@@]3(CN(Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306124210 568763069 /nfs/dbraw/zinc/76/30/69/568763069.db2.gz BJKXEURDONELMM-AZGAKELHSA-N 0 3 444.535 2.882 40 0 IFABHN Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306127782 568764886 /nfs/dbraw/zinc/76/48/86/568764886.db2.gz GHLMCGKUXZZKNQ-RUZDIDTESA-N 0 3 438.572 2.777 40 0 IFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306133104 568767662 /nfs/dbraw/zinc/76/76/62/568767662.db2.gz MBYOJTOIWNKMCZ-SJORKVTESA-N 0 3 447.495 2.572 40 0 IFABHN CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141641 568772514 /nfs/dbraw/zinc/77/25/14/568772514.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 0 3 434.584 2.796 40 0 IFABHN O=C(CC1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306142863 568773008 /nfs/dbraw/zinc/77/30/08/568773008.db2.gz XMRWYQGEEFMUTC-UHFFFAOYSA-N 0 3 432.568 2.767 40 0 IFABHN CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306143858 568773457 /nfs/dbraw/zinc/77/34/57/568773457.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 0 3 427.614 2.745 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252515992 569288148 /nfs/dbraw/zinc/28/81/48/569288148.db2.gz PDXCEXPRYLTROM-QWFCFKBJSA-N 0 3 437.901 2.517 40 0 IFABHN CNc1cc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)nc([C@@H]2CCCN2)n1 ZINC000019760038 569328756 /nfs/dbraw/zinc/32/87/56/569328756.db2.gz QOYSONWHLHIRPT-HNNXBMFYSA-N 0 3 429.468 2.782 40 0 IFABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218096662 569456305 /nfs/dbraw/zinc/45/63/05/569456305.db2.gz TXNPCUZOXBUYCO-KNKQGSTJSA-N 0 3 432.542 2.857 40 0 IFABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171771 291341585 /nfs/dbraw/zinc/34/15/85/291341585.db2.gz VUCXZTUNZSKAPO-VXKWHMMOSA-N 0 3 448.615 2.799 40 0 biogenic,in-vitro IFABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012163028 519560442 /nfs/dbraw/zinc/56/04/42/519560442.db2.gz JHSCHRZCALCHAG-NSXLHWASSA-N 0 3 428.577 2.573 40 0 IFABHN COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(S(C)(=O)=O)cc4)CN3C)n2)cc1 ZINC000035424518 523302792 /nfs/dbraw/zinc/30/27/92/523302792.db2.gz UZVWGWRLWAIHDG-PXNSSMCTSA-N 0 3 442.541 2.684 40 0 biogenic,in-vitro IFABHN O=S(=O)([N-]C[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000012602418 527229178 /nfs/dbraw/zinc/22/91/78/527229178.db2.gz XEZQMBDLIYZSMU-SESVDKBCSA-N 0 3 431.627 2.795 40 0 biogenic,in-vitro IFABHN O=S(=O)([N-]C[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000012602418 527229183 /nfs/dbraw/zinc/22/91/83/527229183.db2.gz XEZQMBDLIYZSMU-SESVDKBCSA-N 0 3 431.627 2.795 40 0 biogenic,in-vitro IFABHN OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCCC2)[C@@H]1O ZINC000020464689 527600536 /nfs/dbraw/zinc/60/05/36/527600536.db2.gz NGOPKELIGFTSCU-NAVOZUGXSA-N 0 3 432.511 2.552 40 0 biogenic,in-vitro IFABHN CCN(CC)CCOC(=O)C(O)(c1cccc(OC)c1OC)c1cccc(OC)c1OC ZINC000004683785 556006384 /nfs/dbraw/zinc/00/63/84/556006384.db2.gz ZRBQQRRDEQHCKC-UHFFFAOYSA-N 0 3 447.528 2.842 40 0 IFABHN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000408710120 556116862 /nfs/dbraw/zinc/11/68/62/556116862.db2.gz PCIWXWUEPQSGIO-HXUWFJFHSA-N 0 3 436.556 2.718 40 0 IFABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257299392 556717107 /nfs/dbraw/zinc/71/71/07/556717107.db2.gz RPWVTYKPZYPWQQ-VWLOTQADSA-N 0 3 438.572 2.546 40 0 IFABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019342784 556740645 /nfs/dbraw/zinc/74/06/45/556740645.db2.gz BEDCHVQRIPABLT-KRWDZBQOSA-N 0 3 435.553 2.805 40 0 IFABHN O=C(c1ccncc1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000019372304 556748714 /nfs/dbraw/zinc/74/87/14/556748714.db2.gz FUGWDMPIHQREAN-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN O=C(c1ccncc1)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372304 556748717 /nfs/dbraw/zinc/74/87/17/556748717.db2.gz FUGWDMPIHQREAN-UHFFFAOYSA-N 0 3 429.524 2.743 40 0 IFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019499387 556771523 /nfs/dbraw/zinc/77/15/23/556771523.db2.gz KEVVMLYFPQQZKR-IERDGZPVSA-N 0 3 440.544 2.742 40 0 IFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019499387 556771525 /nfs/dbraw/zinc/77/15/25/556771525.db2.gz KEVVMLYFPQQZKR-IERDGZPVSA-N 0 3 440.544 2.742 40 0 IFABHN COc1ccc(CN2CCc3c(=O)[n-]c(-c4ccncc4)nc3C2)cc1C[NH+]1CCCC1 ZINC000019559163 556801113 /nfs/dbraw/zinc/80/11/13/556801113.db2.gz IMZWCHFRIGLMRN-UHFFFAOYSA-N 0 3 431.540 2.995 40 0 IFABHN COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(Cc1ccc(OCC(N)=O)c(OC)c1)C2 ZINC000019562513 556803788 /nfs/dbraw/zinc/80/37/88/556803788.db2.gz MOLWHAHTCOFSEZ-QFIPXVFZSA-N 0 3 440.540 2.921 40 0 IFABHN CN1CCC(O)(Cn2nc(-c3cccnc3)c3ccc(NC(=O)[C@@H]4CCCO4)cc32)CC1 ZINC000019588051 556824154 /nfs/dbraw/zinc/82/41/54/556824154.db2.gz JDAKIDFCGRJSJG-NRFANRHFSA-N 0 3 435.528 2.673 40 0 IFABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019699953 556859665 /nfs/dbraw/zinc/85/96/65/556859665.db2.gz ADNSHHYZMOKSCB-QHCPKHFHSA-N 0 3 447.583 2.675 40 0 IFABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)C2 ZINC000019707303 556866642 /nfs/dbraw/zinc/86/66/42/556866642.db2.gz TZLOVQVJTBRQQR-IBGZPJMESA-N 0 3 439.535 2.715 40 0 IFABHN Cc1nc([C@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741273 556883071 /nfs/dbraw/zinc/88/30/71/556883071.db2.gz SBGXXSGPXRGZCG-FQEVSTJZSA-N 0 3 435.572 2.752 40 0 IFABHN Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743045 556887255 /nfs/dbraw/zinc/88/72/55/556887255.db2.gz KKWJXEKVPQYNMS-OAQYLSRUSA-N 0 3 441.535 2.918 40 0 IFABHN CC(=O)Nc1ccc(CN2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1 ZINC000019766532 556911665 /nfs/dbraw/zinc/91/16/65/556911665.db2.gz HRTAMHBLXNOHLN-UHFFFAOYSA-N 0 3 437.544 2.595 40 0 IFABHN Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)c1 ZINC000585107181 557038279 /nfs/dbraw/zinc/03/82/79/557038279.db2.gz QSLKWQIHAFTOPV-JYFHCDHNSA-N 0 3 435.568 2.702 40 0 IFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585108091 557043415 /nfs/dbraw/zinc/04/34/15/557043415.db2.gz WLIMDMRANNUVGN-DVECYGJZSA-N 0 3 440.519 2.842 40 0 IFABHN Cc1cc(C)cc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)c1 ZINC000096243768 557187773 /nfs/dbraw/zinc/18/77/73/557187773.db2.gz JHEVDUICCZUGAL-YADHBBJMSA-N 0 3 438.572 2.685 40 0 IFABHN Cc1cc(C)cc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)c1 ZINC000096243766 557187894 /nfs/dbraw/zinc/18/78/94/557187894.db2.gz JHEVDUICCZUGAL-VXKWHMMOSA-N 0 3 438.572 2.685 40 0 IFABHN Cc1cc(C)cc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)c1 ZINC000096243767 557187945 /nfs/dbraw/zinc/18/79/45/557187945.db2.gz JHEVDUICCZUGAL-FGZHOGPDSA-N 0 3 438.572 2.685 40 0 IFABHN Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251315 557188172 /nfs/dbraw/zinc/18/81/72/557188172.db2.gz RUTQISKDKFRPAB-YKSBVNFPSA-N 0 3 438.576 2.563 40 0 IFABHN Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000585287311 557224156 /nfs/dbraw/zinc/22/41/56/557224156.db2.gz MKHVNIOJHHZRLM-VWLOTQADSA-N 0 3 444.547 2.608 40 0 IFABHN Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 ZINC000585286056 557225227 /nfs/dbraw/zinc/22/52/27/557225227.db2.gz HDYIIFLKKJDPJT-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585286759 557225507 /nfs/dbraw/zinc/22/55/07/557225507.db2.gz IKVPBUCZTAXSRI-QHCPKHFHSA-N 0 3 440.531 2.834 40 0 IFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585286758 557225599 /nfs/dbraw/zinc/22/55/99/557225599.db2.gz IKVPBUCZTAXSRI-HSZRJFAPSA-N 0 3 440.531 2.834 40 0 IFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382211 557236980 /nfs/dbraw/zinc/23/69/80/557236980.db2.gz KWQOOBAYOWFZGB-UAFMIMERSA-N 0 3 437.462 2.943 40 0 biogenic,in-vitro IFABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000057774448 557264470 /nfs/dbraw/zinc/26/44/70/557264470.db2.gz IJQKWVHSIMOULQ-IGKWTDBASA-N 0 3 439.556 2.831 40 0 IFABHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000113944884 557380446 /nfs/dbraw/zinc/38/04/46/557380446.db2.gz XRTIRMZJRKVMEA-CQSZACIVSA-N 0 3 448.416 2.746 40 0 IFABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000113946719 557380699 /nfs/dbraw/zinc/38/06/99/557380699.db2.gz MLDQNIJQGAHZMY-UHFFFAOYSA-N 0 3 448.416 2.746 40 0 IFABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 ZINC000223130135 557436170 /nfs/dbraw/zinc/43/61/70/557436170.db2.gz CVDWINXPOYYBFC-VXKWHMMOSA-N 0 3 434.569 2.572 40 0 IFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000017096089 557487887 /nfs/dbraw/zinc/48/78/87/557487887.db2.gz NUGMSZICRJVFFO-UHFFFAOYSA-N 0 3 428.558 2.973 40 0 IFABHN Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019221942 557498041 /nfs/dbraw/zinc/49/80/41/557498041.db2.gz RDVJMIQJPVMQAV-KNQAVFIVSA-N 0 3 433.560 2.808 40 0 IFABHN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)cc1OC ZINC000224381683 557599679 /nfs/dbraw/zinc/59/96/79/557599679.db2.gz CBNZXNVHFNOGSC-JXAWBTAJSA-N 0 3 429.542 2.747 40 0 IFABHN CN1CCC(Oc2ccc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000224542658 557619302 /nfs/dbraw/zinc/61/93/02/557619302.db2.gz JCDFHXPDQKAYLQ-UHFFFAOYSA-N 0 3 449.548 2.699 40 0 IFABHN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224829239 557656369 /nfs/dbraw/zinc/65/63/69/557656369.db2.gz YYWFBWFFYPXRRJ-UHFFFAOYSA-N 0 3 444.601 2.845 40 0 IFABHN CS(=O)(=O)N(CCCC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1F ZINC000225019450 557678662 /nfs/dbraw/zinc/67/86/62/557678662.db2.gz DONNXEMNMGWURQ-UHFFFAOYSA-N 0 3 447.576 2.937 40 0 IFABHN COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 ZINC000585271009 568617678 /nfs/dbraw/zinc/61/76/78/568617678.db2.gz CVODPZJTSPBKKR-NRFANRHFSA-N 0 3 436.593 2.548 40 0 IFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000585271006 568617694 /nfs/dbraw/zinc/61/76/94/568617694.db2.gz CUBAYHCORYHCBZ-QFIPXVFZSA-N 0 3 444.572 2.668 40 0 IFABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585287771 568619312 /nfs/dbraw/zinc/61/93/12/568619312.db2.gz QVFVLAYQZRYXBH-RUZDIDTESA-N 0 3 444.547 2.608 40 0 IFABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccccc3C)CC2)C1 ZINC000585287815 568619447 /nfs/dbraw/zinc/61/94/47/568619447.db2.gz SKYBCOKZUNGFKZ-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585288134 568619541 /nfs/dbraw/zinc/61/95/41/568619541.db2.gz XGZBJKFTNSFUDE-AREMUKBSSA-N 0 3 440.584 2.777 40 0 IFABHN CC(C)N1CCN(C(=O)C[C@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000257206331 568667980 /nfs/dbraw/zinc/66/79/80/568667980.db2.gz BCXCWSMBFBYRFO-GOSISDBHSA-N 0 3 443.567 2.816 40 0 IFABHN Cn1c(CNC(=O)CN2CCNC[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000257207544 568668599 /nfs/dbraw/zinc/66/85/99/568668599.db2.gz BIFWUNCVCCPCPX-IBGZPJMESA-N 0 3 431.462 2.855 40 0 IFABHN Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257256639 568691823 /nfs/dbraw/zinc/69/18/23/568691823.db2.gz KMIDRLVSJNGKCC-NRFANRHFSA-N 0 3 445.470 2.805 40 0 IFABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 ZINC000257283245 568703672 /nfs/dbraw/zinc/70/36/72/568703672.db2.gz OXLIVOKVYGYYQK-QGZVFWFLSA-N 0 3 432.546 2.509 40 0 IFABHN CN(C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257287474 568705509 /nfs/dbraw/zinc/70/55/09/568705509.db2.gz PQDSUJLRJOBUND-HSZRJFAPSA-N 0 3 435.528 2.636 40 0 IFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218214879 568740698 /nfs/dbraw/zinc/74/06/98/568740698.db2.gz NUQIJOGDLJPESP-ZIFCJYIRSA-N 0 3 438.343 2.897 40 0 IFABHN COc1ccc(CN2CCO[C@]3(CN(Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306124208 568762993 /nfs/dbraw/zinc/76/29/93/568762993.db2.gz BJKXEURDONELMM-AHWVRZQESA-N 0 3 444.535 2.882 40 0 IFABHN O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CCN(Cc2ccoc2)CC1 ZINC000306128744 568765486 /nfs/dbraw/zinc/76/54/86/568765486.db2.gz HJKHGNMYTMMNSE-UHFFFAOYSA-N 0 3 444.535 2.873 40 0 IFABHN O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CCN(Cc2ccco2)CC1 ZINC000306131865 568766952 /nfs/dbraw/zinc/76/69/52/568766952.db2.gz KRMXDIJGVPAFJH-UHFFFAOYSA-N 0 3 444.535 2.873 40 0 IFABHN O=C(NC1CCCC1)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 ZINC000306132215 568767215 /nfs/dbraw/zinc/76/72/15/568767215.db2.gz LBZNULBBRIEHGE-UHFFFAOYSA-N 0 3 427.524 2.902 40 0 IFABHN CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn21 ZINC000306141419 568772206 /nfs/dbraw/zinc/77/22/06/568772206.db2.gz VVMZYYZNKGSIEG-HXUWFJFHSA-N 0 3 447.543 2.510 40 0 IFABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142570 568772665 /nfs/dbraw/zinc/77/26/65/568772665.db2.gz XDNHAUNNAALRLY-ILBGXUMGSA-N 0 3 429.524 2.577 40 0 IFABHN Cc1cc(C)cc(CN2CCC3(CC2)CNS(=O)(=O)c2cnc(N4CCCC4)nc23)c1 ZINC000306143720 568773379 /nfs/dbraw/zinc/77/33/79/568773379.db2.gz YKKOMYSGKLIYCM-UHFFFAOYSA-N 0 3 441.601 2.519 40 0 IFABHN Cc1cc(C)cc(CN2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)c1 ZINC000306144855 568773950 /nfs/dbraw/zinc/77/39/50/568773950.db2.gz ZQHAXDNWMBJMIG-SANMLTNESA-N 0 3 449.599 2.884 40 0 IFABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328986332 568808543 /nfs/dbraw/zinc/80/85/43/568808543.db2.gz HXIONKIYFZARNW-UHFFFAOYSA-N 0 3 427.350 2.731 40 0 IFABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575422077 568863464 /nfs/dbraw/zinc/86/34/64/568863464.db2.gz LXLJJWNVODMNTP-HXUWFJFHSA-N 0 3 438.615 2.750 40 0 IFABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000575424947 568864872 /nfs/dbraw/zinc/86/48/72/568864872.db2.gz CSKCKEGWAYNQRS-KRWDZBQOSA-N 0 3 437.027 2.558 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@H]4[C@H](N3)NCN[C@H]4N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000521205761 568918151 /nfs/dbraw/zinc/91/81/51/568918151.db2.gz FZKTWZZPPTUYSG-JHCHRPGFSA-N 0 3 448.659 2.628 40 0 IFABHN CCN1CCN(Cc2ccc([C@@H]3C[C@H]4[C@@H](N3)NCN[C@H]4N[C@H](C)c3ccccc3)cc2)CC1 ZINC000521205746 568918240 /nfs/dbraw/zinc/91/82/40/568918240.db2.gz FZKTWZZPPTUYSG-BXFNDPPGSA-N 0 3 448.659 2.628 40 0 IFABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242522198 568956103 /nfs/dbraw/zinc/95/61/03/568956103.db2.gz ILUHTTGVUNWCNK-CPUCHLNUSA-N 0 3 433.368 2.572 40 0 IFABHN Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000019235130 569226174 /nfs/dbraw/zinc/22/61/74/569226174.db2.gz JJZWQJXLFLTGNE-YADARESESA-N 0 3 443.613 2.951 40 0 IFABHN CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699315 569230496 /nfs/dbraw/zinc/23/04/96/569230496.db2.gz MZBFNAIKYOQHPF-UHFFFAOYSA-N 0 3 440.588 2.653 40 0 IFABHN CCc1cc(C(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)NCCN(C)C)C2)on1 ZINC000019702434 569232028 /nfs/dbraw/zinc/23/20/28/569232028.db2.gz HQOYKHCOLQBRSV-CQSZACIVSA-N 0 3 441.557 2.768 40 0 IFABHN COc1cc2c(cc1CN1CC[C@@H](c3cc(C(=O)Nc4nccs4)n[nH]3)C1)OCCO2 ZINC000019707703 569234388 /nfs/dbraw/zinc/23/43/88/569234388.db2.gz ANDXOMPIERORMG-CYBMUJFWSA-N 0 3 441.513 2.888 40 0 IFABHN Cc1nc([C@@H]2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019758121 569237404 /nfs/dbraw/zinc/23/74/04/569237404.db2.gz HYZFZZRQBKKKNJ-LJQANCHMSA-N 0 3 434.544 2.905 40 0 IFABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218096478 569456291 /nfs/dbraw/zinc/45/62/91/569456291.db2.gz TXNPCUZOXBUYCO-DXIQSLLYSA-N 0 3 432.542 2.857 40 0 IFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218157271 569456486 /nfs/dbraw/zinc/45/64/86/569456486.db2.gz KFEZPHKSZLBFFM-XQBPLPMBSA-N 0 3 446.525 2.577 40 0 IFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218179195 569456628 /nfs/dbraw/zinc/45/66/28/569456628.db2.gz PDXCEXPRYLTROM-BJLQDIEVSA-N 0 3 437.901 2.517 40 0 IFABHN