smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674752 521093658 /nfs/dbraw/zinc/09/36/58/521093658.db2.gz YLXNIKMINVGLMS-PMACEKPBSA-N 0 3 442.466 2.493 40 0 IEABHN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(c3cc(C)nc(N)n3)C2)on1 ZINC000012184481 556402711 /nfs/dbraw/zinc/40/27/11/556402711.db2.gz OXPJPMSMERSAOG-QGZVFWFLSA-N 0 3 449.563 2.256 40 0 IEABHN COc1ccccc1-c1c2c(ccn(CCCN3CCN(C)CC3)c2=O)nc2nc(C)nn21 ZINC000040398461 556640275 /nfs/dbraw/zinc/64/02/75/556640275.db2.gz WRZPTKXDOMIOHW-UHFFFAOYSA-N 0 3 447.543 2.061 40 0 IEABHN COc1cccc(-c2c3c(ccn(CCCN4CCN(C)CC4)c3=O)nc3nc(C)nn32)c1 ZINC000040398522 556640318 /nfs/dbraw/zinc/64/03/18/556640318.db2.gz SMLBQDRRGSIAAY-UHFFFAOYSA-N 0 3 447.543 2.061 40 0 IEABHN Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)n1 ZINC000019240913 556726649 /nfs/dbraw/zinc/72/66/49/556726649.db2.gz MIQKPJLANBAZPW-GOSISDBHSA-N 0 3 432.532 2.440 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CCN(Cc4ccccn4)C3)nc2C1 ZINC000019347691 556743525 /nfs/dbraw/zinc/74/35/25/556743525.db2.gz YNHKFVKFUIEBJX-MRXNPFEDSA-N 0 3 433.487 2.492 40 0 IEABHN O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019348119 556743748 /nfs/dbraw/zinc/74/37/48/556743748.db2.gz SZHGINGLXVLUIE-OAQYLSRUSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019348119 556743750 /nfs/dbraw/zinc/74/37/50/556743750.db2.gz SZHGINGLXVLUIE-OAQYLSRUSA-N 0 3 440.519 2.352 40 0 IEABHN C[C@H](CN1CCOCC1)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019456306 556765843 /nfs/dbraw/zinc/76/58/43/556765843.db2.gz QRCZFYHVOQAFOD-GOSISDBHSA-N 0 3 443.567 2.275 40 0 IEABHN C[C@@H](CN1CCOCC1)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019456304 556765864 /nfs/dbraw/zinc/76/58/64/556765864.db2.gz QRCZFYHVOQAFOD-SFHVURJKSA-N 0 3 443.567 2.275 40 0 IEABHN CCOCc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531185 556791798 /nfs/dbraw/zinc/79/17/98/556791798.db2.gz ICWPOCVEVSKHER-UHFFFAOYSA-N 0 3 428.533 2.165 40 0 IEABHN CCOCc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531185 556791801 /nfs/dbraw/zinc/79/18/01/556791801.db2.gz ICWPOCVEVSKHER-UHFFFAOYSA-N 0 3 428.533 2.165 40 0 IEABHN CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531980 556792244 /nfs/dbraw/zinc/79/22/44/556792244.db2.gz JHXPUTRDRVCNBH-SFHVURJKSA-N 0 3 428.533 2.393 40 0 IEABHN CCOc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531980 556792246 /nfs/dbraw/zinc/79/22/46/556792246.db2.gz JHXPUTRDRVCNBH-SFHVURJKSA-N 0 3 428.533 2.393 40 0 IEABHN CSCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000208474946 556808810 /nfs/dbraw/zinc/80/88/10/556808810.db2.gz WIBGGHJXPAPRSW-GOSISDBHSA-N 0 3 445.564 2.064 40 0 IEABHN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C1)CO2 ZINC000019590214 556825315 /nfs/dbraw/zinc/82/53/15/556825315.db2.gz VLERZGFULWJPFQ-HNNXBMFYSA-N 0 3 436.512 2.361 40 0 IEABHN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C1)CO2 ZINC000019590214 556825318 /nfs/dbraw/zinc/82/53/18/556825318.db2.gz VLERZGFULWJPFQ-HNNXBMFYSA-N 0 3 436.512 2.361 40 0 IEABHN COCc1ccc(OC)c(CN2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)c1 ZINC000019594334 556830125 /nfs/dbraw/zinc/83/01/25/556830125.db2.gz FPXZCLOKDIKDFW-UHFFFAOYSA-N 0 3 428.533 2.417 40 0 IEABHN O=C(CN1CCCCCC1)N1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697652 556855306 /nfs/dbraw/zinc/85/53/06/556855306.db2.gz WKHKVOUCFMMIKG-SFHVURJKSA-N 0 3 445.585 2.399 40 0 IEABHN COc1ccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)C2)cc1 ZINC000019699834 556859725 /nfs/dbraw/zinc/85/97/25/556859725.db2.gz OEVHMCBWAHGUPR-GOSISDBHSA-N 0 3 428.533 2.095 40 0 IEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019710677 556874268 /nfs/dbraw/zinc/87/42/68/556874268.db2.gz GUCOQHLAFLXWRC-UHFFFAOYSA-N 0 3 431.562 2.083 40 0 IEABHN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)CC1 ZINC000019745095 556891851 /nfs/dbraw/zinc/89/18/51/556891851.db2.gz GNORTELEMCHWNH-GFCCVEGCSA-N 0 3 440.470 2.233 40 0 IEABHN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC000072352317 556923958 /nfs/dbraw/zinc/92/39/58/556923958.db2.gz HWMJBVHPZWJXLA-MRXNPFEDSA-N 0 3 445.585 2.050 40 0 IEABHN C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000072394923 556966222 /nfs/dbraw/zinc/96/62/22/556966222.db2.gz XVGAMVDAZYBJSP-SJLPKXTDSA-N 0 3 429.492 2.061 40 0 IEABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@H+](CC4=CCCOC4)C3)cc(=O)[n-]2)CC1 ZINC000072399217 556971827 /nfs/dbraw/zinc/97/18/27/556971827.db2.gz ZXVBNRBIQZERKL-FQEVSTJZSA-N 0 3 444.576 2.039 40 0 IEABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)cc(=O)[n-]2)CC1 ZINC000072399217 556971828 /nfs/dbraw/zinc/97/18/28/556971828.db2.gz ZXVBNRBIQZERKL-FQEVSTJZSA-N 0 3 444.576 2.039 40 0 IEABHN Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)cc1 ZINC000585106740 557040876 /nfs/dbraw/zinc/04/08/76/557040876.db2.gz HAJDXASMFRHZFM-JYFHCDHNSA-N 0 3 435.568 2.323 40 0 IEABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCOC)cc2c1 ZINC000006196625 557148995 /nfs/dbraw/zinc/14/89/95/557148995.db2.gz ONSAEGAYFGWPNS-UHFFFAOYSA-N 0 3 432.590 2.346 40 0 IEABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000006196616 557149056 /nfs/dbraw/zinc/14/90/56/557149056.db2.gz MHNINFMFLUGGMQ-IBGZPJMESA-N 0 3 432.590 2.344 40 0 IEABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056164 557167269 /nfs/dbraw/zinc/16/72/69/557167269.db2.gz PTLMZNMVNPSWDJ-UGKGYDQZSA-N 0 3 427.574 2.116 40 0 IEABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144410 557172378 /nfs/dbraw/zinc/17/23/78/557172378.db2.gz PRNQZZXZUIVIIV-XMMPIXPASA-N 0 3 425.577 2.434 40 0 IEABHN Cn1c2cc(C(=O)N3CCN(c4ccncc4)CC3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096146263 557176617 /nfs/dbraw/zinc/17/66/17/557176617.db2.gz JBGDSHRJQRWFPD-UHFFFAOYSA-N 0 3 437.525 2.298 40 0 IEABHN CCc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243758 557187476 /nfs/dbraw/zinc/18/74/76/557187476.db2.gz ZZQAFMSPQOYOTQ-ICSRJNTNSA-N 0 3 428.533 2.224 40 0 IEABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O ZINC000096262673 557189900 /nfs/dbraw/zinc/18/99/00/557189900.db2.gz LSVYNPUKEJFRRD-HSZRJFAPSA-N 0 3 448.633 2.204 40 0 IEABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)cc1 ZINC000585281850 557220121 /nfs/dbraw/zinc/22/01/21/557220121.db2.gz CLXLHKOAJMYXGJ-ZCYQVOJMSA-N 0 3 444.547 2.342 40 0 IEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585281825 557220161 /nfs/dbraw/zinc/22/01/61/557220161.db2.gz BPLLFMSVPCOAPB-FPOVZHCZSA-N 0 3 426.941 2.446 40 0 IEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 ZINC000585287178 557225484 /nfs/dbraw/zinc/22/54/84/557225484.db2.gz KFDOOKYHICSMNO-ICSRJNTNSA-N 0 3 430.904 2.277 40 0 IEABHN CN1CCC(Oc2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000219271852 557235165 /nfs/dbraw/zinc/23/51/65/557235165.db2.gz VDMHDEPLXOXIGD-NRFANRHFSA-N 0 3 445.541 2.325 40 0 IEABHN Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381781 557236502 /nfs/dbraw/zinc/23/65/02/557236502.db2.gz ODGROWIYDDQDOP-MNEQBICUSA-N 0 3 428.504 2.216 40 0 biogenic,in-vitro IEABHN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3ccc(C)cc32)cc1 ZINC000219403012 557242477 /nfs/dbraw/zinc/24/24/77/557242477.db2.gz LDPPUHRKMYQABP-JOCHJYFZSA-N 0 3 443.569 2.470 40 0 IEABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000113947468 557380727 /nfs/dbraw/zinc/38/07/27/557380727.db2.gz TWXGILNQXHDAFJ-UHFFFAOYSA-N 0 3 431.961 2.231 40 0 IEABHN O=C(NCCN1CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113424 557440234 /nfs/dbraw/zinc/44/02/34/557440234.db2.gz YRTJKCWLBXIGBZ-JOCHJYFZSA-N 0 3 443.569 2.386 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 ZINC000017100282 557488817 /nfs/dbraw/zinc/48/88/17/557488817.db2.gz JDOHYXNJOJZTRX-RTWAWAEBSA-N 0 3 436.512 2.224 40 0 IEABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212098 557700841 /nfs/dbraw/zinc/70/08/41/557700841.db2.gz BYPMINHKVLJGJV-MRXNPFEDSA-N 0 3 437.562 2.282 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585286030 568618928 /nfs/dbraw/zinc/61/89/28/568618928.db2.gz GYPLOCYCHBARBT-DEOSSOPVSA-N 0 3 430.520 2.299 40 0 IEABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287774 568619525 /nfs/dbraw/zinc/61/95/25/568619525.db2.gz RAIVCLYPSMPJEP-VWLOTQADSA-N 0 3 426.557 2.469 40 0 IEABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CCC(N)=O)CC1 ZINC000257220759 568674639 /nfs/dbraw/zinc/67/46/39/568674639.db2.gz DMAIMVNFNJXMDG-VKGYTVAMSA-N 0 3 449.567 2.215 40 0 IEABHN CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)n[nH]2)cc1 ZINC000257273409 568699246 /nfs/dbraw/zinc/69/92/46/568699246.db2.gz NGLRIMJNPZPBRA-YPAWHYETSA-N 0 3 428.533 2.162 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cccc(Cl)c3)C2)cs1 ZINC000306123366 568762849 /nfs/dbraw/zinc/76/28/49/568762849.db2.gz ALFXJEOIJNIDMF-NRFANRHFSA-N 0 3 443.960 2.419 40 0 IEABHN COCCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306126845 568764473 /nfs/dbraw/zinc/76/44/73/568764473.db2.gz FGWMSZJGGBNKAT-UHFFFAOYSA-N 0 3 436.556 2.003 40 0 IEABHN CC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(Cc3ccc(OC(C)C)cc3)CC1)N2C ZINC000306144022 568773710 /nfs/dbraw/zinc/77/37/10/568773710.db2.gz YTRDBESMHOAUKQ-UHFFFAOYSA-N 0 3 441.576 2.333 40 0 IEABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cccnc2N)C1 ZINC000019702268 569231913 /nfs/dbraw/zinc/23/19/13/569231913.db2.gz VZYSLAXSDRWLBI-CQSZACIVSA-N 0 3 438.557 2.195 40 0 IEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 ZINC000019709643 569234812 /nfs/dbraw/zinc/23/48/12/569234812.db2.gz IKERSOZRQKQYKP-MRXNPFEDSA-N 0 3 433.578 2.147 40 0 IEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112754 291333826 /nfs/dbraw/zinc/33/38/26/291333826.db2.gz JICGUOJHEASJIW-INIZCTEOSA-N 0 3 429.498 2.088 40 0 biogenic,in-vitro IEABHN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCCN1CCCC1 ZINC000008636001 291332356 /nfs/dbraw/zinc/33/23/56/291332356.db2.gz KFZMGPYGXTZKEJ-OALUTQOASA-N 0 3 437.606 2.334 40 0 biogenic,in-vitro IEABHN O[C@@H]1C[C@H](c2ccc(N3CCOCC3)nc2)[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000077262006 291339403 /nfs/dbraw/zinc/33/94/03/291339403.db2.gz LITJKCIJQHSQQQ-VURPSTOHSA-N 0 3 437.462 2.305 40 0 biogenic,in-vitro IEABHN CCOc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O ZINC000012275574 520697526 /nfs/dbraw/zinc/69/75/26/520697526.db2.gz JHLQYFXDYHIAOP-QGZVFWFLSA-N 0 3 438.532 2.262 40 0 IEABHN CCOC(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1CCN1CCC[C@H]1C(N)=O ZINC000020462813 520854973 /nfs/dbraw/zinc/85/49/73/520854973.db2.gz YOBNUNVGFZSMNU-BJLQDIEVSA-N 0 3 430.549 2.450 40 0 biogenic,in-vitro IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674679 521093754 /nfs/dbraw/zinc/09/37/54/521093754.db2.gz FXLXXRLTQAYOKT-SFTDATJTSA-N 0 3 438.503 2.350 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674821 521279906 /nfs/dbraw/zinc/27/99/06/521279906.db2.gz YCFYSUODLCAMTQ-UXHICEINSA-N 0 3 442.466 2.493 40 0 IEABHN COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)N2C)cc1 ZINC000035442417 524048460 /nfs/dbraw/zinc/04/84/60/524048460.db2.gz ZJDKSVQPQOMXGQ-DWLFOUALSA-N 0 3 430.593 2.011 40 0 biogenic,in-vitro IEABHN COc1ccc(OC)c(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1 ZINC000001626543 555706799 /nfs/dbraw/zinc/70/67/99/555706799.db2.gz YXNCNEACHWMYFR-QGZVFWFLSA-N 0 3 443.843 2.474 40 0 IEABHN CCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCCC)cc2)cc1 ZINC000004917288 556020865 /nfs/dbraw/zinc/02/08/65/556020865.db2.gz AIUPXBRLMNBLIF-UHFFFAOYSA-N 0 3 446.573 2.396 40 0 IEABHN COc1ccc(N2C(=O)C[C@H](N3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)C2=O)cc1 ZINC000016819072 556644963 /nfs/dbraw/zinc/64/49/63/556644963.db2.gz WTNIDTAHQKVOAE-IBGZPJMESA-N 0 3 432.484 2.387 40 0 IEABHN Cc1ncoc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257338265 556706719 /nfs/dbraw/zinc/70/67/19/556706719.db2.gz YWRBCOFKBXGZTN-HFMPRLQTSA-N 0 3 426.561 2.202 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)C3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257256838 556712051 /nfs/dbraw/zinc/71/20/51/556712051.db2.gz KNBVYRHUWCJAMM-LSQMVHIFSA-N 0 3 429.605 2.018 40 0 IEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257304005 556717802 /nfs/dbraw/zinc/71/78/02/556717802.db2.gz SJRLFUOQQHALIH-QFIPXVFZSA-N 0 3 437.540 2.372 40 0 IEABHN CN(C)CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21 ZINC000019290973 556731178 /nfs/dbraw/zinc/73/11/78/556731178.db2.gz CPDLBLUDJKSGAS-GHTZIAJQSA-N 0 3 439.560 2.127 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CCN(Cc4ccncc4)C3)nc2C1 ZINC000019347703 556743449 /nfs/dbraw/zinc/74/34/49/556743449.db2.gz RGOARHQOKSGFJC-QGZVFWFLSA-N 0 3 433.487 2.492 40 0 IEABHN O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCC(O)CC1 ZINC000019372449 556748775 /nfs/dbraw/zinc/74/87/75/556748775.db2.gz OAZLYGRNTZTSEW-VXKWHMMOSA-N 0 3 435.572 2.276 40 0 IEABHN CC1CCC([N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495949 556768477 /nfs/dbraw/zinc/76/84/77/556768477.db2.gz QDZJYYKEFVCNAI-CGZBRXJRSA-N 0 3 437.610 2.105 40 0 IEABHN CC1CCC([N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495949 556768482 /nfs/dbraw/zinc/76/84/82/556768482.db2.gz QDZJYYKEFVCNAI-CGZBRXJRSA-N 0 3 437.610 2.105 40 0 IEABHN C[C@@H]1Cc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497861 556770241 /nfs/dbraw/zinc/77/02/41/556770241.db2.gz HLSNKMNTXWKVML-OPAMFIHVSA-N 0 3 449.617 2.201 40 0 IEABHN CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522876 556780188 /nfs/dbraw/zinc/78/01/88/556780188.db2.gz VDXBRRIOVOGLFH-GOSISDBHSA-N 0 3 430.574 2.030 40 0 IEABHN CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522876 556780191 /nfs/dbraw/zinc/78/01/91/556780191.db2.gz VDXBRRIOVOGLFH-GOSISDBHSA-N 0 3 430.574 2.030 40 0 IEABHN COc1cc(C[NH+]2CCC(c3cc(=O)[n-]c(N4CCCC4)n3)CC2)ccc1OCC(N)=O ZINC000019550183 556795049 /nfs/dbraw/zinc/79/50/49/556795049.db2.gz BHJBDVAFCRSBKR-UHFFFAOYSA-N 0 3 441.532 2.035 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587277 556823644 /nfs/dbraw/zinc/82/36/44/556823644.db2.gz WOVMGSVSPMTJJD-XLIONFOSSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587277 556823648 /nfs/dbraw/zinc/82/36/48/556823648.db2.gz WOVMGSVSPMTJJD-XLIONFOSSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O ZINC000019587277 556823652 /nfs/dbraw/zinc/82/36/52/556823652.db2.gz WOVMGSVSPMTJJD-XLIONFOSSA-N 0 3 441.576 2.262 40 0 IEABHN COCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019593207 556829309 /nfs/dbraw/zinc/82/93/09/556829309.db2.gz YDBUHSQCRPOUTK-QGZVFWFLSA-N 0 3 428.508 2.210 40 0 IEABHN CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(CCc3ccccc3)CC1)C2=O ZINC000019699434 556858864 /nfs/dbraw/zinc/85/88/64/556858864.db2.gz ZSQDVGNXZZXYSP-UHFFFAOYSA-N 0 3 426.561 2.263 40 0 IEABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000019707108 556866200 /nfs/dbraw/zinc/86/62/00/556866200.db2.gz URFJYWJVSSQVHX-INIZCTEOSA-N 0 3 431.562 2.315 40 0 IEABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 ZINC000019707479 556867466 /nfs/dbraw/zinc/86/74/66/556867466.db2.gz MBYQCXCZDLYZTD-SFHVURJKSA-N 0 3 443.573 2.082 40 0 IEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107019 557041471 /nfs/dbraw/zinc/04/14/71/557041471.db2.gz OJZIKLNMDMVCCO-DHLKQENFSA-N 0 3 439.531 2.153 40 0 IEABHN CN1CCN(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000022935024 557051963 /nfs/dbraw/zinc/05/19/63/557051963.db2.gz ATGQMFRZAFITPX-UHFFFAOYSA-N 0 3 444.601 2.020 40 0 IEABHN COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 ZINC000585269631 557212372 /nfs/dbraw/zinc/21/23/72/557212372.db2.gz DPGDEQJMBMSFFG-DEOSSOPVSA-N 0 3 430.545 2.144 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287561 557227735 /nfs/dbraw/zinc/22/77/35/557227735.db2.gz OJIWURFCMWEFEV-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3cc(C)ccc32)cc1 ZINC000219403524 557242798 /nfs/dbraw/zinc/24/27/98/557242798.db2.gz BWRCGYQBGQKWNF-JOCHJYFZSA-N 0 3 443.569 2.470 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2OC)cc1 ZINC000113937900 557379387 /nfs/dbraw/zinc/37/93/87/557379387.db2.gz COZSCFNJOOHHDP-UHFFFAOYSA-N 0 3 447.557 2.110 40 0 IEABHN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000260798391 557856488 /nfs/dbraw/zinc/85/64/88/557856488.db2.gz SMZFBBKIZYHZMT-SFHVURJKSA-N 0 3 445.585 2.414 40 0 IEABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585288144 568619374 /nfs/dbraw/zinc/61/93/74/568619374.db2.gz XOAKVKHARQIKPM-VWLOTQADSA-N 0 3 426.557 2.469 40 0 IEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 ZINC000257202688 568666435 /nfs/dbraw/zinc/66/64/35/568666435.db2.gz AMWNPZJKXPSSET-DEOSSOPVSA-N 0 3 441.551 2.318 40 0 IEABHN CN1CCC(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000257293542 568708096 /nfs/dbraw/zinc/70/80/96/568708096.db2.gz QPZGFXZVTKISMN-KRWDZBQOSA-N 0 3 442.585 2.426 40 0 IEABHN CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCN2CCCCC2)[C@@H]1O ZINC000257297936 568710269 /nfs/dbraw/zinc/71/02/69/568710269.db2.gz RJKVUIBMWLBHTK-CTPLVJPESA-N 0 3 430.545 2.199 40 0 IEABHN O=C(NC[C@H]1CC[C@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129955 568765926 /nfs/dbraw/zinc/76/59/26/568765926.db2.gz ISGBEDFNZSJXKA-RDGATRHJSA-N 0 3 447.539 2.447 40 0 IEABHN CCOCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306131832 568766992 /nfs/dbraw/zinc/76/69/92/568766992.db2.gz KQOOJQZRNSILTQ-UHFFFAOYSA-N 0 3 436.556 2.003 40 0 IEABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccc(C)s4)C2)C3)cc1 ZINC000306138712 568770752 /nfs/dbraw/zinc/77/07/52/568770752.db2.gz SFDIVIJOYHSAHN-HSZRJFAPSA-N 0 3 438.553 2.280 40 0 IEABHN COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO ZINC000012219501 569224804 /nfs/dbraw/zinc/22/48/04/569224804.db2.gz JOFCFNHAOHBNRS-IBGZPJMESA-N 0 3 437.544 2.448 40 0 IEABHN COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO ZINC000012219500 569224868 /nfs/dbraw/zinc/22/48/68/569224868.db2.gz JOFCFNHAOHBNRS-LJQANCHMSA-N 0 3 437.544 2.448 40 0 IEABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699644 569230751 /nfs/dbraw/zinc/23/07/51/569230751.db2.gz WILDIILMECNOTF-HMXCVIKNSA-N 0 3 438.572 2.263 40 0 IEABHN CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cccnc2N)C1 ZINC000019702269 569231940 /nfs/dbraw/zinc/23/19/40/569231940.db2.gz VZYSLAXSDRWLBI-AWEZNQCLSA-N 0 3 438.557 2.195 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703122 569232720 /nfs/dbraw/zinc/23/27/20/569232720.db2.gz VNKRFQUKRHLDQC-KRWDZBQOSA-N 0 3 446.573 2.010 40 0 IEABHN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(CNC)cc(N(C)C)n2)C1 ZINC000019709619 569234718 /nfs/dbraw/zinc/23/47/18/569234718.db2.gz CTGUUCYQZZNPFQ-MRXNPFEDSA-N 0 3 445.589 2.075 40 0 IEABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298839 291331388 /nfs/dbraw/zinc/33/13/88/291331388.db2.gz IFDFIYVSBJLCCK-SXLOBPIMSA-N 0 3 425.533 2.376 40 0 biogenic,in-vitro IEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C ZINC000008635496 291333793 /nfs/dbraw/zinc/33/37/93/291333793.db2.gz PMYCKEZKBXWJAT-JQHSSLGASA-N 0 3 428.533 2.045 40 0 biogenic,in-vitro IEABHN CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3ccc(Cl)cc3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107430503 291336493 /nfs/dbraw/zinc/33/64/93/291336493.db2.gz XHSCWTWBABQISE-AERCQKQUSA-N 0 3 439.961 2.414 40 0 biogenic,in-vitro IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674746 521093275 /nfs/dbraw/zinc/09/32/75/521093275.db2.gz YLXNIKMINVGLMS-VQTJNVASSA-N 0 3 442.466 2.493 40 0 IEABHN Cc1ccc(C2(CN3CCC(NC(=O)CCN4C(=O)NC(C)(C)C4=O)CC3)CC2)cc1 ZINC000012187198 524229381 /nfs/dbraw/zinc/22/93/81/524229381.db2.gz VFHNIHLDQXKKBY-UHFFFAOYSA-N 0 3 426.561 2.328 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCCN(c4cnccn4)C3)cc2)n1 ZINC000257238708 556710046 /nfs/dbraw/zinc/71/00/46/556710046.db2.gz HMDWFPINJINIPB-XMMPIXPASA-N 0 3 436.560 2.490 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257274108 556714216 /nfs/dbraw/zinc/71/42/16/556714216.db2.gz NJPNKVHXEQJGDC-DEOSSOPVSA-N 0 3 436.560 2.490 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CCN(Cc4cccnc4)C3)nc2C1 ZINC000019347697 556743440 /nfs/dbraw/zinc/74/34/40/556743440.db2.gz KXGSNQFBLMTAOF-KRWDZBQOSA-N 0 3 433.487 2.492 40 0 IEABHN O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372517 556749186 /nfs/dbraw/zinc/74/91/86/556749186.db2.gz AGGXLXWPCRPPRP-NHCUHLMSSA-N 0 3 433.487 2.391 40 0 IEABHN COc1ccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019450168 556761003 /nfs/dbraw/zinc/76/10/03/556761003.db2.gz UXRKVBSRVHLTLT-SFTDATJTSA-N 0 3 439.560 2.062 40 0 IEABHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499917 556771748 /nfs/dbraw/zinc/77/17/48/556771748.db2.gz PUJXXFUBRSZFKN-JTSKRJEESA-N 0 3 436.560 2.315 40 0 IEABHN COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCCN(Cc4ccc(F)cc4)C3)nc21 ZINC000019743582 556888271 /nfs/dbraw/zinc/88/82/71/556888271.db2.gz MNONEYYAQDULAD-KRWDZBQOSA-N 0 3 426.492 2.260 40 0 IEABHN CC1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000019748756 556893258 /nfs/dbraw/zinc/89/32/58/556893258.db2.gz NDYQWESNJYWEMG-UHFFFAOYSA-N 0 3 425.570 2.465 40 0 IEABHN O=C(NC1CC2(C1)CCN(Cc1ccc(-n3ccnc3)cc1)CC2)[C@H]1CCCS1(=O)=O ZINC000585102766 557036750 /nfs/dbraw/zinc/03/67/50/557036750.db2.gz DZFXNSNKKQAPHU-OAQYLSRUSA-N 0 3 442.585 2.310 40 0 IEABHN Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)cc1 ZINC000585106742 557040847 /nfs/dbraw/zinc/04/08/47/557040847.db2.gz HAJDXASMFRHZFM-ZEQKJWHPSA-N 0 3 435.568 2.323 40 0 IEABHN CC(C)CCN1Cc2c(C(=O)N3CC[C@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147517 557177311 /nfs/dbraw/zinc/17/73/11/557177311.db2.gz XIZGTPKCINPFMJ-KRWDZBQOSA-N 0 3 445.589 2.199 40 0 IEABHN O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1 ZINC000096156185 557180946 /nfs/dbraw/zinc/18/09/46/557180946.db2.gz SSGNPLWEFMRIDL-HXUWFJFHSA-N 0 3 427.512 2.481 40 0 IEABHN COc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1 ZINC000585273454 557215858 /nfs/dbraw/zinc/21/58/58/557215858.db2.gz OKWRUBIBRIKSJE-XMMPIXPASA-N 0 3 433.593 2.269 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286714 557225637 /nfs/dbraw/zinc/22/56/37/557225637.db2.gz HXSNSPLKETWIQY-XMMPIXPASA-N 0 3 430.520 2.299 40 0 IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 ZINC000017100284 557488833 /nfs/dbraw/zinc/48/88/33/557488833.db2.gz JDOHYXNJOJZTRX-SFTDATJTSA-N 0 3 436.512 2.224 40 0 IEABHN CC1(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 ZINC000257254389 568690509 /nfs/dbraw/zinc/69/05/09/568690509.db2.gz KCVXLHOKDHNSLT-RUZDIDTESA-N 0 3 435.572 2.105 40 0 IEABHN NC(=O)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)COc1ccc(CN2CCCC2)cc1 ZINC000257288828 568706167 /nfs/dbraw/zinc/70/61/67/568706167.db2.gz PVWTTWOUVHVZHP-FQEVSTJZSA-N 0 3 448.527 2.167 40 0 IEABHN CCOc1ccc(CN2CC[C@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO ZINC000257344981 568730747 /nfs/dbraw/zinc/73/07/47/568730747.db2.gz ZZLFUAIFISVXJW-SFHVURJKSA-N 0 3 439.560 2.303 40 0 IEABHN CC(C)Oc1ccc(CN2CCC3(Cn4c(nn(CC5CC5)c(=O)c4=O)N3C)CC2)cc1 ZINC000306126150 568764261 /nfs/dbraw/zinc/76/42/61/568764261.db2.gz DOINGEFGHCFGHJ-UHFFFAOYSA-N 0 3 439.560 2.087 40 0 IEABHN O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129953 568765874 /nfs/dbraw/zinc/76/58/74/568765874.db2.gz ISGBEDFNZSJXKA-DHLKQENFSA-N 0 3 447.539 2.447 40 0 IEABHN O=C(NC[C@@H]1CC[C@@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129956 568765894 /nfs/dbraw/zinc/76/58/94/568765894.db2.gz ISGBEDFNZSJXKA-WIOPSUGQSA-N 0 3 447.539 2.447 40 0 IEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306130850 568766435 /nfs/dbraw/zinc/76/64/35/568766435.db2.gz JRDVVFMPCXNNEH-MRXNPFEDSA-N 0 3 441.532 2.348 40 0 IEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccccn3)CC1)CCN(Cc1cccnc1)C2 ZINC000306139135 568771081 /nfs/dbraw/zinc/77/10/81/568771081.db2.gz SQCHLVURWPPYHV-UHFFFAOYSA-N 0 3 442.567 2.430 40 0 IEABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 ZINC000306141628 568772420 /nfs/dbraw/zinc/77/24/20/568772420.db2.gz WCFNALFOIWQMLJ-XMMPIXPASA-N 0 3 438.576 2.439 40 0 IEABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000248021817 569206809 /nfs/dbraw/zinc/20/68/09/569206809.db2.gz RKGBEDJZRZNOIE-LERMDLETSA-N 0 3 432.540 2.404 40 0 IEABHN CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000248021815 569206879 /nfs/dbraw/zinc/20/68/79/569206879.db2.gz RKGBEDJZRZNOIE-AYPBNUJASA-N 0 3 432.540 2.404 40 0 IEABHN CCCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699312 569230504 /nfs/dbraw/zinc/23/05/04/569230504.db2.gz YPMYVOWXRWAGLI-UHFFFAOYSA-N 0 3 426.561 2.407 40 0 IEABHN O=C(c1cccnc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699443 569230554 /nfs/dbraw/zinc/23/05/54/569230554.db2.gz YRQFAVRXUWWDPC-UHFFFAOYSA-N 0 3 447.539 2.273 40 0 IEABHN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)CC1 ZINC000049155090 291330259 /nfs/dbraw/zinc/33/02/59/291330259.db2.gz VSHQJGMKHYHWFU-FQEVSTJZSA-N 0 3 439.564 2.031 40 0 biogenic,in-vitro IEABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)CC1 ZINC000035424695 523771468 /nfs/dbraw/zinc/77/14/68/523771468.db2.gz HZIIXMCRNSUXRF-IBGZPJMESA-N 0 3 439.564 2.064 40 0 biogenic,in-vitro IEABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)NCc1ccc(F)cc1 ZINC000035442266 526561480 /nfs/dbraw/zinc/56/14/80/526561480.db2.gz SJYHEDIXAGOJHE-BDTNDASRSA-N 0 3 442.510 2.092 40 0 biogenic,in-vitro IEABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000044913740 556681428 /nfs/dbraw/zinc/68/14/28/556681428.db2.gz YXSMZVCHBVUAQL-UHFFFAOYSA-N 0 3 437.426 2.415 40 0 IEABHN CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Cn2ccnc2C)c1 ZINC000257200406 556701061 /nfs/dbraw/zinc/70/10/61/556701061.db2.gz ADDUCESBPXBJSP-XMMPIXPASA-N 0 3 445.567 2.355 40 0 IEABHN O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000257215829 556703035 /nfs/dbraw/zinc/70/30/35/556703035.db2.gz CRVGHZFRFKQXSL-VXKWHMMOSA-N 0 3 448.523 2.146 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCN(c4cc(C)ncn4)C3)cc2)n1 ZINC000257320875 556704205 /nfs/dbraw/zinc/70/42/05/556704205.db2.gz VYZIKDKHXDQQOY-XMMPIXPASA-N 0 3 436.560 2.408 40 0 IEABHN OCCCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257335325 556706396 /nfs/dbraw/zinc/70/63/96/556706396.db2.gz YJRXSLUCVRRULX-RUZDIDTESA-N 0 3 425.573 2.207 40 0 IEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000257232256 556709384 /nfs/dbraw/zinc/70/93/84/556709384.db2.gz GJZUULNNCLKBDR-RUZDIDTESA-N 0 3 441.547 2.367 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)Cc3cccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257277958 556714610 /nfs/dbraw/zinc/71/46/10/556714610.db2.gz OADLIKJSKYQDJY-GNKBHMEESA-N 0 3 436.600 2.229 40 0 IEABHN O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019348117 556743826 /nfs/dbraw/zinc/74/38/26/556743826.db2.gz SZHGINGLXVLUIE-NRFANRHFSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019348117 556743830 /nfs/dbraw/zinc/74/38/30/556743830.db2.gz SZHGINGLXVLUIE-NRFANRHFSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(N[C@@H]1CSC[C@@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372539 556749094 /nfs/dbraw/zinc/74/90/94/556749094.db2.gz QNFKTFHWBYMCQV-NCYKPQTJSA-N 0 3 428.529 2.349 40 0 IEABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)cc1CO ZINC000019559274 556800957 /nfs/dbraw/zinc/80/09/57/556800957.db2.gz VMNAIIQVYVGNFO-NHJWOMDBSA-N 0 3 429.517 2.114 40 0 IEABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000019572462 556812856 /nfs/dbraw/zinc/81/28/56/556812856.db2.gz XWHVIFMWTISNDS-QFIPXVFZSA-N 0 3 449.617 2.203 40 0 IEABHN CNC(=O)[C@@H]1CN(Cc2cc(OC)ccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591944 556828050 /nfs/dbraw/zinc/82/80/50/556828050.db2.gz AJFYRNSPKALNBS-RTBURBONSA-N 0 3 425.533 2.056 40 0 IEABHN O=C(COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1)N1CCOCC1 ZINC000072392553 556963608 /nfs/dbraw/zinc/96/36/08/556963608.db2.gz IEQDEAUACZCAFM-HOKHCIIBSA-N 0 3 437.540 2.049 40 0 IEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106601 557040588 /nfs/dbraw/zinc/04/05/88/557040588.db2.gz CPZWSCXEGGLCMU-XUZZJYLKSA-N 0 3 425.504 2.225 40 0 IEABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056169 557167411 /nfs/dbraw/zinc/16/74/11/557167411.db2.gz FPWXVQQASPPBAL-RDPSFJRHSA-N 0 3 439.535 2.193 40 0 IEABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056162 557167572 /nfs/dbraw/zinc/16/75/72/557167572.db2.gz ASNOXVWBOYHBMQ-AVRDEDQJSA-N 0 3 427.574 2.116 40 0 IEABHN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCN3CCCC3)cn21 ZINC000096156791 557181858 /nfs/dbraw/zinc/18/18/58/557181858.db2.gz VYCOPWQFGWCVQH-OAQYLSRUSA-N 0 3 439.608 2.032 40 0 IEABHN Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1C ZINC000096251306 557188215 /nfs/dbraw/zinc/18/82/15/557188215.db2.gz VPVYXVRWWAOGPC-RDGATRHJSA-N 0 3 437.588 2.480 40 0 IEABHN COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cnn(C)c4)CC3)O2)c1 ZINC000096262968 557190503 /nfs/dbraw/zinc/19/05/03/557190503.db2.gz UFGXOWQZXNCHDG-HXUWFJFHSA-N 0 3 436.516 2.154 40 0 IEABHN COCC(=O)N1CCN(CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283099 557222393 /nfs/dbraw/zinc/22/23/93/557222393.db2.gz PSIGUOJXPVXYEO-VWLOTQADSA-N 0 3 448.604 2.289 40 0 IEABHN Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)c1 ZINC000585283740 557223066 /nfs/dbraw/zinc/22/30/66/557223066.db2.gz UKMIMWWYRHCGPT-ZCYQVOJMSA-N 0 3 444.547 2.342 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 ZINC000585287518 557227578 /nfs/dbraw/zinc/22/75/78/557227578.db2.gz NOCZGYIWIGQHPO-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3ccc(C)cc32)cc1 ZINC000219402931 557242565 /nfs/dbraw/zinc/24/25/65/557242565.db2.gz LDPPUHRKMYQABP-QFIPXVFZSA-N 0 3 443.569 2.470 40 0 IEABHN CCCN(CCC)CC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C ZINC000057774729 557264411 /nfs/dbraw/zinc/26/44/11/557264411.db2.gz YVXLYRYEJKWSIT-DCLXLUIPSA-N 0 3 441.576 2.358 40 0 IEABHN CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(C(C)(C)C)CC1 ZINC000257214229 568671624 /nfs/dbraw/zinc/67/16/24/568671624.db2.gz CLDCHGWWCMTVTB-SQMBMXPBSA-N 0 3 449.567 2.085 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257234723 568681262 /nfs/dbraw/zinc/68/12/62/568681262.db2.gz GUVZOFHXVQGHHK-FQEVSTJZSA-N 0 3 432.572 2.468 40 0 IEABHN Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1 ZINC000257312774 568716782 /nfs/dbraw/zinc/71/67/82/568716782.db2.gz UPLKKOJBLMUNJP-XMMPIXPASA-N 0 3 439.560 2.021 40 0 IEABHN Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000257320407 568720169 /nfs/dbraw/zinc/72/01/69/568720169.db2.gz VWQSUMNBQHMARK-QHCPKHFHSA-N 0 3 439.491 2.337 40 0 IEABHN Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)C1 ZINC000257344807 568730552 /nfs/dbraw/zinc/73/05/52/568730552.db2.gz ZYTCZMDNTLDMOO-DEOSSOPVSA-N 0 3 449.559 2.161 40 0 IEABHN COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CCN(Cc3ccsc3)CC2)cc1 ZINC000306135220 568768878 /nfs/dbraw/zinc/76/88/78/568768878.db2.gz OLDPLDTVEFGRJE-UHFFFAOYSA-N 0 3 438.553 2.461 40 0 IEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306135405 568768936 /nfs/dbraw/zinc/76/89/36/568768936.db2.gz OPZZYQAJTFWXKK-DLBZAZTESA-N 0 3 434.500 2.247 40 0 IEABHN O=C(c1ccccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699448 569230586 /nfs/dbraw/zinc/23/05/86/569230586.db2.gz UDOTTWFFCCYJMX-UHFFFAOYSA-N 0 3 447.539 2.273 40 0 IEABHN O=C(c1ccccn1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699864 569230866 /nfs/dbraw/zinc/23/08/66/569230866.db2.gz ZAKGKPXHOFICGX-HXUWFJFHSA-N 0 3 447.539 2.273 40 0 IEABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O ZINC000019699827 569230876 /nfs/dbraw/zinc/23/08/76/569230876.db2.gz YLEZBLUNJWFVPA-SFHVURJKSA-N 0 3 430.524 2.156 40 0 IEABHN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(CNC)cc(N(C)C)n2)C1 ZINC000019709620 569234785 /nfs/dbraw/zinc/23/47/85/569234785.db2.gz CTGUUCYQZZNPFQ-INIZCTEOSA-N 0 3 445.589 2.075 40 0 IEABHN COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 ZINC000008254194 569462527 /nfs/dbraw/zinc/46/25/27/569462527.db2.gz QCCOIFVXUGDRON-SJBKTWHCSA-N 0 3 432.528 2.376 40 0 biogenic,in-vitro IEABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCN(C)CC4)n3)ccn2)CC1 ZINC000049154979 291330571 /nfs/dbraw/zinc/33/05/71/291330571.db2.gz GKNUTLPFYKBYEK-FQEVSTJZSA-N 0 3 439.564 2.031 40 0 biogenic,in-vitro IEABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)ccn2)CC1 ZINC000049155002 291330605 /nfs/dbraw/zinc/33/06/05/291330605.db2.gz CHZDUUGPBBOMEY-IBGZPJMESA-N 0 3 426.521 2.116 40 0 biogenic,in-vitro IEABHN COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 ZINC000096113491 291335717 /nfs/dbraw/zinc/33/57/17/291335717.db2.gz GPAVCRUKHYJXAP-RTBURBONSA-N 0 3 428.533 2.415 40 0 biogenic,in-vitro IEABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCO5)cnc3CO2)cc1 ZINC000096296389 291336487 /nfs/dbraw/zinc/33/64/87/291336487.db2.gz LJMRIHPTYJXDPE-KRWDZBQOSA-N 0 3 441.509 2.371 40 0 biogenic,in-vitro IEABHN O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1)N1CCOCC1 ZINC000008299253 291338896 /nfs/dbraw/zinc/33/88/96/291338896.db2.gz QZTNIEZCBDNGNP-QFUCXCTJSA-N 0 3 427.574 2.140 40 0 biogenic,in-vitro IEABHN CCOC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CCN1CCC[C@H]1C(N)=O ZINC000020462860 520854431 /nfs/dbraw/zinc/85/44/31/520854431.db2.gz VODQUMHBCWZLNO-BJLQDIEVSA-N 0 3 436.597 2.260 40 0 biogenic,in-vitro IEABHN NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)ccn2)CC1 ZINC000035424718 526857808 /nfs/dbraw/zinc/85/78/08/526857808.db2.gz UCOHFLDZNPAEOD-SFHVURJKSA-N 0 3 426.521 2.149 40 0 biogenic,in-vitro IEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC ZINC000408710147 556116876 /nfs/dbraw/zinc/11/68/76/556116876.db2.gz QDMWLJVHTLIBMK-SFHVURJKSA-N 0 3 438.528 2.164 40 0 IEABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254507 556154937 /nfs/dbraw/zinc/15/49/37/556154937.db2.gz DCIGRLJGOXTKHV-RLLQIKCJSA-N 0 3 432.528 2.376 40 0 biogenic,in-vitro IEABHN COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000013632643 556539840 /nfs/dbraw/zinc/53/98/40/556539840.db2.gz XVOSCZSWNJUOJP-UHFFFAOYSA-N 0 3 425.938 2.222 40 0 IEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000072345340 556609523 /nfs/dbraw/zinc/60/95/23/556609523.db2.gz WILDIILMECNOTF-GIVPXCGWSA-N 0 3 438.572 2.263 40 0 IEABHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964046 556630978 /nfs/dbraw/zinc/63/09/78/556630978.db2.gz FUEDFIVRNHUBGL-HXUWFJFHSA-N 0 3 437.475 2.424 40 0 IEABHN Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)n1 ZINC000019240914 556726867 /nfs/dbraw/zinc/72/68/67/556726867.db2.gz MIQKPJLANBAZPW-SFHVURJKSA-N 0 3 432.532 2.440 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587273 556823729 /nfs/dbraw/zinc/82/37/29/556823729.db2.gz WOVMGSVSPMTJJD-YLJYHZDGSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587273 556823732 /nfs/dbraw/zinc/82/37/32/556823732.db2.gz WOVMGSVSPMTJJD-YLJYHZDGSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O ZINC000019587273 556823734 /nfs/dbraw/zinc/82/37/34/556823734.db2.gz WOVMGSVSPMTJJD-YLJYHZDGSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019590797 556825302 /nfs/dbraw/zinc/82/53/02/556825302.db2.gz WHERDHRNTFYSDY-ROUUACIJSA-N 0 3 449.477 2.294 40 0 IEABHN COc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1OC ZINC000019590249 556825386 /nfs/dbraw/zinc/82/53/86/556825386.db2.gz ZFJJUQXVBOKMNT-MRXNPFEDSA-N 0 3 426.517 2.136 40 0 IEABHN COc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1OC ZINC000019590249 556825387 /nfs/dbraw/zinc/82/53/87/556825387.db2.gz ZFJJUQXVBOKMNT-MRXNPFEDSA-N 0 3 426.517 2.136 40 0 IEABHN COCCOc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593631 556829666 /nfs/dbraw/zinc/82/96/66/556829666.db2.gz LUHWGXQIBDYQDN-UHFFFAOYSA-N 0 3 436.512 2.467 40 0 IEABHN COCCOc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593631 556829668 /nfs/dbraw/zinc/82/96/68/556829668.db2.gz LUHWGXQIBDYQDN-UHFFFAOYSA-N 0 3 436.512 2.467 40 0 IEABHN O=C(CN1CCCCCC1)N1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697653 556855357 /nfs/dbraw/zinc/85/53/57/556855357.db2.gz WKHKVOUCFMMIKG-GOSISDBHSA-N 0 3 445.585 2.399 40 0 IEABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000019699646 556859334 /nfs/dbraw/zinc/85/93/34/556859334.db2.gz HHCYRDDPUWHSRI-HXUWFJFHSA-N 0 3 436.560 2.003 40 0 IEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 ZINC000019711369 556875774 /nfs/dbraw/zinc/87/57/74/556875774.db2.gz QKJUGUBAJJUNSM-UHFFFAOYSA-N 0 3 442.608 2.441 40 0 IEABHN O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CCN(C2CCCC2)CC1 ZINC000019751396 556895538 /nfs/dbraw/zinc/89/55/38/556895538.db2.gz WRHIWIHHNQMSEJ-UHFFFAOYSA-N 0 3 426.492 2.327 40 0 IEABHN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)C3CCN(C)CC3)CC2)n1 ZINC000072354980 556930154 /nfs/dbraw/zinc/93/01/54/556930154.db2.gz ZXDBVTWGEBJCGE-UHFFFAOYSA-N 0 3 437.588 2.473 40 0 IEABHN O=C(c1cnccn1)N1CCc2nc(C3CC[NH+](Cc4ccc(F)cc4)CC3)[n-]c(=O)c2C1 ZINC000072399014 556971330 /nfs/dbraw/zinc/97/13/30/556971330.db2.gz MRNNLCVRRACTSO-UHFFFAOYSA-N 0 3 448.502 2.277 40 0 IEABHN COc1ccc(OC)c(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1 ZINC000073329615 556976855 /nfs/dbraw/zinc/97/68/55/556976855.db2.gz YXNCNEACHWMYFR-KRWDZBQOSA-N 0 3 443.843 2.474 40 0 IEABHN C[C@@H]1CCN(C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C[C@H]1O ZINC000585103002 557037170 /nfs/dbraw/zinc/03/71/70/557037170.db2.gz AXNUXDVZSSKJNJ-WTIAFYNJSA-N 0 3 429.605 2.396 40 0 IEABHN COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(C2CCCCC2)CC1 ZINC000022928884 557049468 /nfs/dbraw/zinc/04/94/68/557049468.db2.gz IRAKABVEIGFNHF-JOCHJYFZSA-N 0 3 444.580 2.376 40 0 IEABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000006196617 557148963 /nfs/dbraw/zinc/14/89/63/557148963.db2.gz MHNINFMFLUGGMQ-LJQANCHMSA-N 0 3 432.590 2.344 40 0 IEABHN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036536 557163363 /nfs/dbraw/zinc/16/33/63/557163363.db2.gz ZJXYCEPOCFJPOP-FQEVSTJZSA-N 0 3 425.620 2.153 40 0 IEABHN Cn1cc(CN2C[C@@H]3CN(C(=O)C4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251464 557188540 /nfs/dbraw/zinc/18/85/40/557188540.db2.gz HHPDPYXQPVYBNY-QPPBQGQZSA-N 0 3 427.593 2.177 40 0 IEABHN O=C(COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 ZINC000585270454 557214238 /nfs/dbraw/zinc/21/42/38/557214238.db2.gz KOCAAVLNODWLTI-RUZDIDTESA-N 0 3 440.540 2.330 40 0 IEABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000585271429 557214532 /nfs/dbraw/zinc/21/45/32/557214532.db2.gz FQASGTIIDMMYGA-OAQYLSRUSA-N 0 3 430.545 2.278 40 0 IEABHN COc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272688 557217115 /nfs/dbraw/zinc/21/71/15/557217115.db2.gz LWXALSSGOLFYRW-OAQYLSRUSA-N 0 3 430.545 2.278 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585283585 557223101 /nfs/dbraw/zinc/22/31/01/557223101.db2.gz RZUPDAGUYMURHM-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286712 557225568 /nfs/dbraw/zinc/22/55/68/557225568.db2.gz HXSNSPLKETWIQY-DEOSSOPVSA-N 0 3 430.520 2.299 40 0 IEABHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000108204970 557338370 /nfs/dbraw/zinc/33/83/70/557338370.db2.gz IZHWGEWXDGHMMI-CQSZACIVSA-N 0 3 444.395 2.060 40 0 IEABHN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000224247054 557580958 /nfs/dbraw/zinc/58/09/58/557580958.db2.gz KKVGQITZILMYFJ-UHFFFAOYSA-N 0 3 445.585 2.344 40 0 IEABHN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)cc1 ZINC000224351421 557596569 /nfs/dbraw/zinc/59/65/69/557596569.db2.gz VLFHOTCFELKLMA-UHFFFAOYSA-N 0 3 425.938 2.465 40 0 IEABHN COc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCC(C)CC1 ZINC000585274396 568618729 /nfs/dbraw/zinc/61/87/29/568618729.db2.gz VXNKBTSTBHRYFE-VWLOTQADSA-N 0 3 447.620 2.075 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585287646 568619072 /nfs/dbraw/zinc/61/90/72/568619072.db2.gz PYHIPLQWOLGSKX-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN COc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585288270 568619309 /nfs/dbraw/zinc/61/93/09/568619309.db2.gz ZVDYTYYOJXICKA-RUZDIDTESA-N 0 3 442.556 2.169 40 0 IEABHN C[C@@H](N)C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 ZINC000257214182 568671764 /nfs/dbraw/zinc/67/17/64/568671764.db2.gz CKXMBUNYPVMHLI-WYIZHRONSA-N 0 3 438.609 2.378 40 0 IEABHN Cc1cn([C@H]2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]2O)c(=O)[nH]c1=O ZINC000257218810 568673655 /nfs/dbraw/zinc/67/36/55/568673655.db2.gz DEMJQGWRCLVIGZ-SFTDATJTSA-N 0 3 440.544 2.081 40 0 IEABHN CC(=O)Nc1nc2nc(C3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)ccc2s1 ZINC000257220299 568674296 /nfs/dbraw/zinc/67/42/96/568674296.db2.gz DKHVJLQBYWVREU-UHFFFAOYSA-N 0 3 437.591 2.253 40 0 IEABHN CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(C(C)(C)C)CC1 ZINC000257237676 568682779 /nfs/dbraw/zinc/68/27/79/568682779.db2.gz HHPBXTHUDWQAJY-SCPDWHHUSA-N 0 3 449.567 2.085 40 0 IEABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)ncn1 ZINC000257259947 568692947 /nfs/dbraw/zinc/69/29/47/568692947.db2.gz LASVFMMEXBQITR-RUZDIDTESA-N 0 3 437.588 2.139 40 0 IEABHN CC(C)(C)c1ccc(CN2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)c(OCC(N)=O)c1 ZINC000257270621 568697944 /nfs/dbraw/zinc/69/79/44/568697944.db2.gz MUYMKVGFMGGPCF-WOJBJXKFSA-N 0 3 430.593 2.152 40 0 IEABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)CN ZINC000257273647 568699226 /nfs/dbraw/zinc/69/92/26/568699226.db2.gz NHOMBPGSJSAPIL-QCFAMHMHSA-N 0 3 437.462 2.162 40 0 IEABHN Cc1[nH]ncc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257283101 568703648 /nfs/dbraw/zinc/70/36/48/568703648.db2.gz OWTLEINPDVCJDM-JOCHJYFZSA-N 0 3 448.951 2.270 40 0 IEABHN CN1CCC(C(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000257293543 568708202 /nfs/dbraw/zinc/70/82/02/568708202.db2.gz QPZGFXZVTKISMN-QGZVFWFLSA-N 0 3 442.585 2.426 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257304307 568713257 /nfs/dbraw/zinc/71/32/57/568713257.db2.gz SKZBOLJVQMJVLQ-FQEVSTJZSA-N 0 3 432.572 2.468 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257304308 568713346 /nfs/dbraw/zinc/71/33/46/568713346.db2.gz SKZBOLJVQMJVLQ-HXUWFJFHSA-N 0 3 432.572 2.468 40 0 IEABHN NC(=O)CCn1cc(CN2CCC[C@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)c2ccccc21 ZINC000257318563 568719352 /nfs/dbraw/zinc/71/93/52/568719352.db2.gz VOMKETXMVPYDRW-HSZRJFAPSA-N 0 3 437.500 2.078 40 0 IEABHN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000257320210 568719866 /nfs/dbraw/zinc/71/98/66/568719866.db2.gz VVUAYNORCODSMQ-DEOSSOPVSA-N 0 3 439.560 2.055 40 0 IEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3nccs3)CC1)CCN(Cc1cccnc1)C2 ZINC000306124707 568763208 /nfs/dbraw/zinc/76/32/08/568763208.db2.gz BXDKZHCYJTWXIA-UHFFFAOYSA-N 0 3 448.596 2.492 40 0 IEABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccc(C)s4)C2)C3)cc1 ZINC000306138713 568770653 /nfs/dbraw/zinc/77/06/53/568770653.db2.gz SFDIVIJOYHSAHN-QHCPKHFHSA-N 0 3 438.553 2.280 40 0 IEABHN Cc1ccc(CN2CC[C@@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 ZINC000306143229 568773123 /nfs/dbraw/zinc/77/31/23/568773123.db2.gz XWSZNWAGTNAJGK-HXUWFJFHSA-N 0 3 429.571 2.037 40 0 IEABHN CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773663 568909079 /nfs/dbraw/zinc/90/90/79/568909079.db2.gz CXNPNFWYIHIFCA-VXKWHMMOSA-N 0 3 439.556 2.102 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(C)cc(C)c2)cc1OC ZINC000010111580 569221154 /nfs/dbraw/zinc/22/11/54/569221154.db2.gz UCRLVNWZFGALCM-UHFFFAOYSA-N 0 3 449.573 2.194 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(Cl)cc2)cc1 ZINC000010111584 569221174 /nfs/dbraw/zinc/22/11/74/569221174.db2.gz WXAHXFYGPWUQSO-UHFFFAOYSA-N 0 3 425.938 2.222 40 0 IEABHN C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699329 569230454 /nfs/dbraw/zinc/23/04/54/569230454.db2.gz ZTPILHZUZBFEJL-RXVVDRJESA-N 0 3 438.572 2.263 40 0 IEABHN O=C(C1CCC1)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699853 569230854 /nfs/dbraw/zinc/23/08/54/569230854.db2.gz IIYDCDOSWLZRCF-NRFANRHFSA-N 0 3 438.572 2.407 40 0 IEABHN CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699961 569231043 /nfs/dbraw/zinc/23/10/43/569231043.db2.gz KDJILJSFNBEMRI-FQEVSTJZSA-N 0 3 426.561 2.263 40 0 IEABHN CC(C)C(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700708 569231284 /nfs/dbraw/zinc/23/12/84/569231284.db2.gz GLEDWIIMGLAEMX-UHFFFAOYSA-N 0 3 426.561 2.468 40 0 IEABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008254211 291338267 /nfs/dbraw/zinc/33/82/67/291338267.db2.gz VIPRPEBVRMSFFN-LSWJPFSZSA-N 0 3 432.528 2.279 40 0 biogenic,in-vitro IEABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ccncc3)C[C@H]2C1=O ZINC000012231888 520665902 /nfs/dbraw/zinc/66/59/02/520665902.db2.gz MRXZSRRCWJWLDD-OFVILXPXSA-N 0 3 435.572 2.391 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674743 521280293 /nfs/dbraw/zinc/28/02/93/521280293.db2.gz YLXNIKMINVGLMS-WOJBJXKFSA-N 0 3 442.466 2.493 40 0 IEABHN Cc1nn(-c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2CC(C)C)c(C)c1C ZINC000012518210 527570691 /nfs/dbraw/zinc/57/06/91/527570691.db2.gz XWXGBENLAUSKEH-UHFFFAOYSA-N 0 3 441.580 2.150 40 0 IEABHN O=C1N[C@@H]2c3c(I)sc(I)c3C(=O)C2O1 ZINC000005847535 556067573 /nfs/dbraw/zinc/06/75/73/556067573.db2.gz UWDMOILRXVLKCY-NQXXGFSBSA-N 0 3 446.991 2.303 40 0 IEABHN CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000009291325 556274289 /nfs/dbraw/zinc/27/42/89/556274289.db2.gz BTIJSQWBEYZNRE-UHFFFAOYSA-N 0 3 438.576 2.224 40 0 IEABHN CSCC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000036627021 556598901 /nfs/dbraw/zinc/59/89/01/556598901.db2.gz WIBGGHJXPAPRSW-SFHVURJKSA-N 0 3 445.564 2.064 40 0 IEABHN CN1CCN(CCCn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)CC1 ZINC000040398105 556640096 /nfs/dbraw/zinc/64/00/96/556640096.db2.gz PAMSEZAQYGBZDC-UHFFFAOYSA-N 0 3 437.935 2.397 40 0 IEABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257207394 556702034 /nfs/dbraw/zinc/70/20/34/556702034.db2.gz BHNZCISRLCTLSJ-DEOSSOPVSA-N 0 3 441.551 2.018 40 0 IEABHN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCc3ccccn3)cc2)[C@H](O)C1 ZINC000257216990 556703078 /nfs/dbraw/zinc/70/30/78/556703078.db2.gz CXAGOWTVTXWXMQ-CEMLEFRQSA-N 0 3 443.544 2.481 40 0 IEABHN OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(CC3=CCCOC3)C2)n1 ZINC000019404126 556754281 /nfs/dbraw/zinc/75/42/81/556754281.db2.gz IWUNBMUDSHSYRP-FQEVSTJZSA-N 0 3 438.576 2.459 40 0 IEABHN Cc1nonc1C(=O)NCC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019558852 556800703 /nfs/dbraw/zinc/80/07/03/556800703.db2.gz FISYUIPNDHLRKU-UHFFFAOYSA-N 0 3 445.951 2.464 40 0 IEABHN CN1CCN(c2nccc(CN3CCC[C@@H]3c3nnc(Cc4ccc(F)cc4)[nH]3)n2)CC1 ZINC000019590153 556824898 /nfs/dbraw/zinc/82/48/98/556824898.db2.gz KGMHPGICAKYTDJ-HXUWFJFHSA-N 0 3 436.539 2.414 40 0 IEABHN CN1CCN(c2nccc(CN3CCC[C@@H]3c3n[nH]c(Cc4ccc(F)cc4)n3)n2)CC1 ZINC000019590153 556824903 /nfs/dbraw/zinc/82/49/03/556824903.db2.gz KGMHPGICAKYTDJ-HXUWFJFHSA-N 0 3 436.539 2.414 40 0 IEABHN COCCNC(=O)[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593506 556829650 /nfs/dbraw/zinc/82/96/50/556829650.db2.gz FOQAQWHWRBLUIE-NHCUHLMSSA-N 0 3 439.560 2.064 40 0 IEABHN COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(Cc4ccc(F)cc4)CC3)nc21 ZINC000019743583 556888127 /nfs/dbraw/zinc/88/81/27/556888127.db2.gz CIRHKBTWCAQAEX-UHFFFAOYSA-N 0 3 426.492 2.260 40 0 IEABHN CN(C)c1nc2c(c(N3CCC(N4CCN(C)CC4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000072347605 556918477 /nfs/dbraw/zinc/91/84/77/556918477.db2.gz QGASLQNPOPGZJV-UHFFFAOYSA-N 0 3 449.647 2.317 40 0 IEABHN C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000072394922 556966210 /nfs/dbraw/zinc/96/62/10/556966210.db2.gz XVGAMVDAZYBJSP-FUHWJXTLSA-N 0 3 429.492 2.061 40 0 IEABHN CS(=O)(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000072399203 556971845 /nfs/dbraw/zinc/97/18/45/556971845.db2.gz NPDYXIIBLQUPKH-KRWDZBQOSA-N 0 3 436.603 2.350 40 0 IEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103142 557037148 /nfs/dbraw/zinc/03/71/48/557037148.db2.gz DNERTBHOYFIEJY-ZPMCFJSWSA-N 0 3 432.561 2.418 40 0 IEABHN COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4cccnc4)CC3)O2)c1 ZINC000096036644 557163803 /nfs/dbraw/zinc/16/38/03/557163803.db2.gz ULGWLYALDQKDHH-QFIPXVFZSA-N 0 3 447.539 2.493 40 0 IEABHN Cc1cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c(C)o1 ZINC000096083067 557168596 /nfs/dbraw/zinc/16/85/96/557168596.db2.gz OMXCRYJLFXGBBY-XXBNENTESA-N 0 3 427.549 2.073 40 0 IEABHN COc1ccc(C(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)cc1 ZINC000096143573 557170320 /nfs/dbraw/zinc/17/03/20/557170320.db2.gz PQTPCMKGLVORFK-FCHUYYIVSA-N 0 3 434.540 2.285 40 0 IEABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1 ZINC000585287180 557225973 /nfs/dbraw/zinc/22/59/73/557225973.db2.gz KFXIGUHYOXEZRL-VWLOTQADSA-N 0 3 426.557 2.469 40 0 IEABHN CCCCc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585290973 557228322 /nfs/dbraw/zinc/22/83/22/557228322.db2.gz YNKXQJZKHXXNRN-PKTZIBPZSA-N 0 3 432.586 2.305 40 0 IEABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cscn1)CC2 ZINC000107180602 557335625 /nfs/dbraw/zinc/33/56/25/557335625.db2.gz GCMOAILOOUJYIS-ZWKOTPCHSA-N 0 3 425.558 2.123 40 0 IEABHN O=C(NCCN1CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113416 557440286 /nfs/dbraw/zinc/44/02/86/557440286.db2.gz YRTJKCWLBXIGBZ-QFIPXVFZSA-N 0 3 443.569 2.386 40 0 IEABHN CN(c1ccc(OCC(=O)NCCCN2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000224246584 557580923 /nfs/dbraw/zinc/58/09/23/557580923.db2.gz FYSNIHKKZJZPQG-UHFFFAOYSA-N 0 3 431.558 2.026 40 0 IEABHN CS(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc2C1)Cc1ccccc1F ZINC000225028033 557679716 /nfs/dbraw/zinc/67/97/16/557679716.db2.gz UYHXSGKNSVKEHD-UHFFFAOYSA-N 0 3 433.549 2.152 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271114 568617636 /nfs/dbraw/zinc/61/76/36/568617636.db2.gz RELKELUOVSFARC-DEOSSOPVSA-N 0 3 436.560 2.442 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271122 568617842 /nfs/dbraw/zinc/61/78/42/568617842.db2.gz RELKELUOVSFARC-XMMPIXPASA-N 0 3 436.560 2.442 40 0 IEABHN Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585288143 568619358 /nfs/dbraw/zinc/61/93/58/568619358.db2.gz XOAKVKHARQIKPM-RUZDIDTESA-N 0 3 426.557 2.469 40 0 IEABHN Cc1cc(N2CCC(O)(CN(C)C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c2cnccc2n1 ZINC000257201100 568665432 /nfs/dbraw/zinc/66/54/32/568665432.db2.gz AGHFLPCKFQJXFB-NRFANRHFSA-N 0 3 449.555 2.004 40 0 IEABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ncc(C)s1)C2 ZINC000257204562 568667367 /nfs/dbraw/zinc/66/73/67/568667367.db2.gz AVEXHTNBIVZKOQ-UZKOGDIHSA-N 0 3 427.574 2.274 40 0 IEABHN CO[C@@H]1CCC[C@@H](N(C)Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)[C@H]1O ZINC000257213567 568671452 /nfs/dbraw/zinc/67/14/52/568671452.db2.gz CIDHSWZRMJHTDG-KIFXHHALSA-N 0 3 428.529 2.490 40 0 IEABHN CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000257216216 568672435 /nfs/dbraw/zinc/67/24/35/568672435.db2.gz CTPFCFQOQXHISK-REWPJTCUSA-N 0 3 443.588 2.406 40 0 IEABHN CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1[O-])[C@H](O)[C@@]1(O)[C@@H]3C[C@H](C[C@H]1O2)C3(C)C ZINC000257240289 568684045 /nfs/dbraw/zinc/68/40/45/568684045.db2.gz HSWQNUQSLFTZKC-UQJUYAFZSA-N 0 3 444.572 2.398 40 0 IEABHN Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cnccn3)C2)nn1C ZINC000257246682 568687045 /nfs/dbraw/zinc/68/70/45/568687045.db2.gz IVHBENFIFWGILG-NRFANRHFSA-N 0 3 433.560 2.134 40 0 IEABHN Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)nn1C ZINC000257246683 568687058 /nfs/dbraw/zinc/68/70/58/568687058.db2.gz IVHBENFIFWGILG-OAQYLSRUSA-N 0 3 433.560 2.134 40 0 IEABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccnn1C(C)C)C2 ZINC000257252594 568689689 /nfs/dbraw/zinc/68/96/89/568689689.db2.gz JVIDYDVHROYIOS-HUVFLSCGSA-N 0 3 438.576 2.286 40 0 IEABHN CN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc43)C2)cc1 ZINC000257256578 568691412 /nfs/dbraw/zinc/69/14/12/568691412.db2.gz KMBHBHFUSGDMON-RUZDIDTESA-N 0 3 449.555 2.284 40 0 IEABHN CC(=O)N[C@]12CN(CC(=O)Nc3ccnn3C(C)C)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257286129 568704773 /nfs/dbraw/zinc/70/47/73/568704773.db2.gz PKKUCPUQAAZGOM-AGILITTLSA-N 0 3 438.576 2.286 40 0 IEABHN NC(=O)CCn1cc(CN2CCC[C@@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)c2ccccc21 ZINC000257318564 568719437 /nfs/dbraw/zinc/71/94/37/568719437.db2.gz VOMKETXMVPYDRW-QHCPKHFHSA-N 0 3 437.500 2.078 40 0 IEABHN CCOc1ccc(CN2CC[C@@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO ZINC000257344980 568730835 /nfs/dbraw/zinc/73/08/35/568730835.db2.gz ZZLFUAIFISVXJW-GOSISDBHSA-N 0 3 439.560 2.303 40 0 IEABHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509271 568844834 /nfs/dbraw/zinc/84/48/34/568844834.db2.gz NSJGEXWTVXFQHP-CEXWTWQISA-N 0 3 437.606 2.380 40 0 IEABHN C[C@H]1Cc2cc([C@@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497860 569226795 /nfs/dbraw/zinc/22/67/95/569226795.db2.gz HLSNKMNTXWKVML-AOMKIAJQSA-N 0 3 449.617 2.201 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 ZINC000019692638 569228013 /nfs/dbraw/zinc/22/80/13/569228013.db2.gz CFBUKYSNKQYYBX-HXUWFJFHSA-N 0 3 427.549 2.460 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 ZINC000019692639 569228054 /nfs/dbraw/zinc/22/80/54/569228054.db2.gz CFBUKYSNKQYYBX-FQEVSTJZSA-N 0 3 427.549 2.460 40 0 IEABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ncc[nH]2)CC1 ZINC000019699366 569230500 /nfs/dbraw/zinc/23/05/00/569230500.db2.gz ADQJWKZXJKSVFQ-UHFFFAOYSA-N 0 3 436.560 2.003 40 0 IEABHN COc1ccc(C(=O)N2CCC(N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)CC2)cc1 ZINC000019699501 569230596 /nfs/dbraw/zinc/23/05/96/569230596.db2.gz LMBMYVYSMPRJCN-UHFFFAOYSA-N 0 3 428.533 2.095 40 0 IEABHN CC(=O)N1CCC(N2CCC(O)(c3csc(CN(C)Cc4cccnc4)n3)CC2)CC1 ZINC000225425602 291330306 /nfs/dbraw/zinc/33/03/06/291330306.db2.gz QOKLTNOSVWJJHE-UHFFFAOYSA-N 0 3 443.617 2.464 40 0 biogenic,in-vitro IEABHN CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298828 291330955 /nfs/dbraw/zinc/33/09/55/291330955.db2.gz MIXPHDZKQNEHJJ-KSZLIROESA-N 0 3 425.533 2.331 40 0 biogenic,in-vitro IEABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCN(C(C)=O)CC3)CC2)cs1 ZINC000225422728 291334215 /nfs/dbraw/zinc/33/42/15/291334215.db2.gz BBNDIEXUPLQQNQ-LJQANCHMSA-N 0 3 436.622 2.048 40 0 biogenic,in-vitro IEABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 ZINC000008254189 291335236 /nfs/dbraw/zinc/33/52/36/291335236.db2.gz QCCOIFVXUGDRON-VWPQPMDRSA-N 0 3 432.528 2.376 40 0 biogenic,in-vitro IEABHN OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(C2CCOCC2)CC1 ZINC000225427286 291339409 /nfs/dbraw/zinc/33/94/09/291339409.db2.gz DOVKRQDFVJAKIF-UHFFFAOYSA-N 0 3 443.617 2.323 40 0 biogenic,in-vitro IEABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012162921 519559221 /nfs/dbraw/zinc/55/92/21/519559221.db2.gz RKGBEDJZRZNOIE-ITSWEJNFSA-N 0 3 432.540 2.404 40 0 IEABHN CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000012162931 519560139 /nfs/dbraw/zinc/56/01/39/519560139.db2.gz RKGBEDJZRZNOIE-NIJIEXERSA-N 0 3 432.540 2.404 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674749 521279530 /nfs/dbraw/zinc/27/95/30/521279530.db2.gz YLXNIKMINVGLMS-UXHICEINSA-N 0 3 442.466 2.493 40 0 IEABHN CN(C)C(=O)[C@H]1CN(CCCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000012124406 524017577 /nfs/dbraw/zinc/01/75/77/524017577.db2.gz ZZKNDBZQIFESCF-HOYKHHGWSA-N 0 3 441.503 2.176 40 0 IEABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3cc(C)nc(N)n3)CC2)on1 ZINC000012232668 526046095 /nfs/dbraw/zinc/04/60/95/526046095.db2.gz ALHOBWLGJHHUIU-UHFFFAOYSA-N 0 3 436.520 2.341 40 0 IEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 ZINC000408710175 556116904 /nfs/dbraw/zinc/11/69/04/556116904.db2.gz RETMVCWBACIVRM-GOSISDBHSA-N 0 3 438.528 2.164 40 0 IEABHN O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964047 556631019 /nfs/dbraw/zinc/63/10/19/556631019.db2.gz FUEDFIVRNHUBGL-FQEVSTJZSA-N 0 3 437.475 2.424 40 0 IEABHN Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257328754 556705654 /nfs/dbraw/zinc/70/56/54/556705654.db2.gz XGZBRWJOFDNOIL-LSQMVHIFSA-N 0 3 437.588 2.004 40 0 IEABHN CN1CCC(Cc2ccccc2F)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257260278 556712344 /nfs/dbraw/zinc/71/23/44/556712344.db2.gz LCDBAHIJHLDRRA-DEOSSOPVSA-N 0 3 441.551 2.018 40 0 IEABHN O=C(NCc1ncc[nH]1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372473 556749149 /nfs/dbraw/zinc/74/91/49/556749149.db2.gz MPPXFBKTOBXWFV-PMACEKPBSA-N 0 3 431.544 2.332 40 0 IEABHN O=C(N[C@H]1CSC[C@@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372534 556749167 /nfs/dbraw/zinc/74/91/67/556749167.db2.gz QNFKTFHWBYMCQV-CGXNFDGLSA-N 0 3 428.529 2.349 40 0 IEABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]c(=O)c3C2)CC1 ZINC000019495970 556768736 /nfs/dbraw/zinc/76/87/36/556768736.db2.gz HJKOHZLEYWHRHS-CGZBRXJRSA-N 0 3 437.610 2.105 40 0 IEABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]c(=O)c3C2)CC1 ZINC000019495970 556768739 /nfs/dbraw/zinc/76/87/39/556768739.db2.gz HJKOHZLEYWHRHS-CGZBRXJRSA-N 0 3 437.610 2.105 40 0 IEABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000019572465 556812740 /nfs/dbraw/zinc/81/27/40/556812740.db2.gz XWHVIFMWTISNDS-JOCHJYFZSA-N 0 3 449.617 2.203 40 0 IEABHN CNC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591945 556827986 /nfs/dbraw/zinc/82/79/86/556827986.db2.gz SEQQHNPOKPRHME-QZTJIDSGSA-N 0 3 425.533 2.056 40 0 IEABHN O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1CC1CCN(c2ncccn2)CC1 ZINC000019700711 556860199 /nfs/dbraw/zinc/86/01/99/556860199.db2.gz POFAZDOLOCIWNQ-UHFFFAOYSA-N 0 3 434.544 2.280 40 0 IEABHN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)CC1 ZINC000019745093 556891654 /nfs/dbraw/zinc/89/16/54/556891654.db2.gz GNORTELEMCHWNH-LBPRGKRZSA-N 0 3 440.470 2.233 40 0 IEABHN Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CCN(CC(C)(C)CN2CCOCC2)C4)no1 ZINC000072339440 556911664 /nfs/dbraw/zinc/91/16/64/556911664.db2.gz XWSQGKGKIQFBHO-UHFFFAOYSA-N 0 3 426.521 2.115 40 0 IEABHN CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(Cc3cnn(C)c3)CC2)C1 ZINC000072372421 556942857 /nfs/dbraw/zinc/94/28/57/556942857.db2.gz LJXULDCESJQIQN-JOCHJYFZSA-N 0 3 437.588 2.456 40 0 IEABHN CCCC(=O)N1CCc2nc(C3CCN(Cc4cnn(CCC)c4)CC3)[nH]c(=O)c2C1 ZINC000072398998 556971062 /nfs/dbraw/zinc/97/10/62/556971062.db2.gz FLSSYNLLYIFESN-UHFFFAOYSA-N 0 3 426.565 2.441 40 0 IEABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)cc(=O)[n-]2)CC1 ZINC000072399216 556971790 /nfs/dbraw/zinc/97/17/90/556971790.db2.gz ZXVBNRBIQZERKL-HXUWFJFHSA-N 0 3 444.576 2.039 40 0 IEABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)cc(=O)[n-]2)CC1 ZINC000072399216 556971791 /nfs/dbraw/zinc/97/17/91/556971791.db2.gz ZXVBNRBIQZERKL-HXUWFJFHSA-N 0 3 444.576 2.039 40 0 IEABHN COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccncc4)CC3)O2)cc1 ZINC000096036701 557163833 /nfs/dbraw/zinc/16/38/33/557163833.db2.gz VZDZKIJZFUHZLB-QFIPXVFZSA-N 0 3 447.539 2.493 40 0 IEABHN COc1cccc(C(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 ZINC000096143572 557170480 /nfs/dbraw/zinc/17/04/80/557170480.db2.gz HUMBUCWOEFMUCN-FCHUYYIVSA-N 0 3 434.540 2.285 40 0 IEABHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1cccs1 ZINC000022107542 557177605 /nfs/dbraw/zinc/17/76/05/557177605.db2.gz FAXCDTLZDQMUMX-UHFFFAOYSA-N 0 3 437.909 2.474 40 0 IEABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)CCC2 ZINC000096251294 557188244 /nfs/dbraw/zinc/18/82/44/557188244.db2.gz IANZYWHTSXKXDD-XXBNENTESA-N 0 3 427.524 2.002 40 0 IEABHN CN(C)CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000010111523 557204084 /nfs/dbraw/zinc/20/40/84/557204084.db2.gz BXYIUVWCUARSJN-UHFFFAOYSA-N 0 3 440.363 2.322 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2F)cc1 ZINC000219141823 557227986 /nfs/dbraw/zinc/22/79/86/557227986.db2.gz BLGDGKNZUXTTLK-UHFFFAOYSA-N 0 3 435.521 2.240 40 0 IEABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382206 557237054 /nfs/dbraw/zinc/23/70/54/557237054.db2.gz KTOQDAWLCGBOMS-UAFMIMERSA-N 0 3 439.478 2.375 40 0 biogenic,in-vitro IEABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382669 557237103 /nfs/dbraw/zinc/23/71/03/557237103.db2.gz YIKMLBDCYOJWSY-HNBVOPMISA-N 0 3 439.478 2.375 40 0 biogenic,in-vitro IEABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1OC ZINC000113936439 557379437 /nfs/dbraw/zinc/37/94/37/557379437.db2.gz IQDSZDGMVYRSAU-UHFFFAOYSA-N 0 3 447.557 2.353 40 0 IEABHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000223708721 557504591 /nfs/dbraw/zinc/50/45/91/557504591.db2.gz OCSAOKVLOCTCRF-UHFFFAOYSA-N 0 3 438.571 2.042 40 0 IEABHN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000223826049 557517604 /nfs/dbraw/zinc/51/76/04/557517604.db2.gz SMZFBBKIZYHZMT-GOSISDBHSA-N 0 3 445.585 2.414 40 0 IEABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN1CCCC1 ZINC000585262270 568616434 /nfs/dbraw/zinc/61/64/34/568616434.db2.gz NLDZGQKKRMSZLN-SDZTWWDVSA-N 0 3 441.547 2.419 40 0 IEABHN CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257282553 568703282 /nfs/dbraw/zinc/70/32/82/568703282.db2.gz OUFLYLBALJIUPJ-DEOSSOPVSA-N 0 3 438.576 2.266 40 0 IEABHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@H]3N2CC2CC2)cc1 ZINC000306129000 568765412 /nfs/dbraw/zinc/76/54/12/568765412.db2.gz HQWJXWTVGAQMKF-QIJUGHKUSA-N 0 3 426.561 2.358 40 0 IEABHN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@@H]3N2CC2CC2)cc1 ZINC000306128999 568765495 /nfs/dbraw/zinc/76/54/95/568765495.db2.gz HQWJXWTVGAQMKF-NYVOZVTQSA-N 0 3 426.561 2.358 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccccc3Cl)C2)cs1 ZINC000306129677 568765952 /nfs/dbraw/zinc/76/59/52/568765952.db2.gz IJHDCWPQRLDMRN-NRFANRHFSA-N 0 3 443.960 2.419 40 0 IEABHN Cc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306130510 568766074 /nfs/dbraw/zinc/76/60/74/568766074.db2.gz JIRNUIOUBWMRII-JOCHJYFZSA-N 0 3 426.517 2.411 40 0 IEABHN Cn1cc(CN2CCC3(Cc4nc5c(c(=O)n4C3)CN(Cc3ccccc3)CC5)CC2)cn1 ZINC000306135604 568769205 /nfs/dbraw/zinc/76/92/05/568769205.db2.gz OVRALWHEEGJTMD-UHFFFAOYSA-N 0 3 444.583 2.374 40 0 IEABHN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCN3CCCC3)cn21 ZINC000306141498 568772228 /nfs/dbraw/zinc/77/22/28/568772228.db2.gz VYCOPWQFGWCVQH-NRFANRHFSA-N 0 3 439.608 2.032 40 0 IEABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426097 568865478 /nfs/dbraw/zinc/86/54/78/568865478.db2.gz MMPUDUGMLMZRFZ-SFHVURJKSA-N 0 3 439.603 2.145 40 0 IEABHN CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773671 568909189 /nfs/dbraw/zinc/90/91/89/568909189.db2.gz CXNPNFWYIHIFCA-YADHBBJMSA-N 0 3 439.556 2.102 40 0 IEABHN CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773674 568909228 /nfs/dbraw/zinc/90/92/28/568909228.db2.gz CXNPNFWYIHIFCA-FGZHOGPDSA-N 0 3 439.556 2.102 40 0 IEABHN CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 ZINC000248150806 569207286 /nfs/dbraw/zinc/20/72/86/569207286.db2.gz UCOUXTFXVNJXJE-JKFKMHIGSA-N 0 3 425.552 2.487 40 0 IEABHN C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699331 569230367 /nfs/dbraw/zinc/23/03/67/569230367.db2.gz ZTPILHZUZBFEJL-GHTZIAJQSA-N 0 3 438.572 2.263 40 0 IEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699328 569230388 /nfs/dbraw/zinc/23/03/88/569230388.db2.gz ZTPILHZUZBFEJL-NQIIRXRSSA-N 0 3 438.572 2.263 40 0 IEABHN O=C(c1ccccn1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699865 569230872 /nfs/dbraw/zinc/23/08/72/569230872.db2.gz ZAKGKPXHOFICGX-FQEVSTJZSA-N 0 3 447.539 2.273 40 0 IEABHN Cc1cnc(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)NCCN(C)C)C2)cn1 ZINC000019701998 569231567 /nfs/dbraw/zinc/23/15/67/569231567.db2.gz MMMXTXQAIGSCKI-HNNXBMFYSA-N 0 3 438.557 2.316 40 0 IEABHN COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23C=C[C@@H]1[C@]1(C)Oc4c5c(ccc4OC)C[C@H]2N(C)CC[C@]513 ZINC000096316400 291333723 /nfs/dbraw/zinc/33/37/23/291333723.db2.gz QCYVGCPBTZGMEM-VYCIRWLBSA-N 0 3 439.508 2.109 40 0 biogenic,in-vitro IEABHN O=c1c([N-]S(=O)(=O)c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000003841465 291339216 /nfs/dbraw/zinc/33/92/16/291339216.db2.gz DNDSXQVJMVXMFD-LSDHHAIUSA-N 0 3 435.571 2.309 40 0 biogenic,in-vitro IEABHN O=c1c([N-]S(=O)(=O)c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000003841465 291339218 /nfs/dbraw/zinc/33/92/18/291339218.db2.gz DNDSXQVJMVXMFD-LSDHHAIUSA-N 0 3 435.571 2.309 40 0 biogenic,in-vitro IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674824 521092806 /nfs/dbraw/zinc/09/28/06/521092806.db2.gz YCFYSUODLCAMTQ-PMACEKPBSA-N 0 3 442.466 2.493 40 0 IEABHN O=C1N[C@@H]2c3c(I)sc(I)c3C(=O)C2O1 ZINC000005847530 556067648 /nfs/dbraw/zinc/06/76/48/556067648.db2.gz UWDMOILRXVLKCY-WUJLRWPWSA-N 0 3 446.991 2.303 40 0 IEABHN COc1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 ZINC000022936740 556455190 /nfs/dbraw/zinc/45/51/90/556455190.db2.gz SLZJTAKIRGHAKY-IMSXRSKXSA-N 0 3 448.567 2.096 40 0 biogenic,in-vitro IEABHN Cc1nc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)co1 ZINC000257216449 556703130 /nfs/dbraw/zinc/70/31/30/556703130.db2.gz CUOBPBDAZXCFIH-FIXSFTCYSA-N 0 3 426.561 2.202 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCN(c4cc(C)ncn4)C3)cc2)n1 ZINC000257320874 556704221 /nfs/dbraw/zinc/70/42/21/556704221.db2.gz VYZIKDKHXDQQOY-DEOSSOPVSA-N 0 3 436.560 2.408 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cncs3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257334783 556706302 /nfs/dbraw/zinc/70/63/02/556706302.db2.gz YHJQSDAGUHSPNA-JTAQYXEDSA-N 0 3 428.602 2.362 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)[C@@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232603 556709315 /nfs/dbraw/zinc/70/93/15/556709315.db2.gz GLPLWFNQUTZSIN-GIQJJWITSA-N 0 3 429.605 2.018 40 0 IEABHN O=C(CN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257239610 556710396 /nfs/dbraw/zinc/71/03/96/556710396.db2.gz HQCNLHVCIQOVNM-SONWIMMPSA-N 0 3 429.605 2.162 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)CC3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257276584 556714401 /nfs/dbraw/zinc/71/44/01/556714401.db2.gz NUJPHNRNEXBRFM-GNKBHMEESA-N 0 3 443.632 2.408 40 0 IEABHN O=C(NCCN1CCOCC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372562 556749072 /nfs/dbraw/zinc/74/90/72/556749072.db2.gz ALXOIFKQGHBBFS-DHIUTWEWSA-N 0 3 439.531 2.205 40 0 IEABHN NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019372500 556749181 /nfs/dbraw/zinc/74/91/81/556749181.db2.gz WSCWEUWMNULPQI-FGZHOGPDSA-N 0 3 437.515 2.481 40 0 IEABHN O=C(NCCn1ccnc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372471 556749214 /nfs/dbraw/zinc/74/92/14/556749214.db2.gz ABGYKCRALQWEDM-VXKWHMMOSA-N 0 3 445.571 2.305 40 0 IEABHN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019448431 556758087 /nfs/dbraw/zinc/75/80/87/556758087.db2.gz XBNRFFQUUJGMLB-IBGZPJMESA-N 0 3 432.546 2.071 40 0 IEABHN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019448431 556758088 /nfs/dbraw/zinc/75/80/88/556758088.db2.gz XBNRFFQUUJGMLB-IBGZPJMESA-N 0 3 432.546 2.071 40 0 IEABHN CCn1nc(C)c(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1C ZINC000019765779 556910797 /nfs/dbraw/zinc/91/07/97/556910797.db2.gz BVXNICDLZQWUCL-UHFFFAOYSA-N 0 3 426.565 2.349 40 0 IEABHN O=C(C1[C@@H]2CCCC[C@H]12)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000072398895 556971023 /nfs/dbraw/zinc/97/10/23/556971023.db2.gz BQVRWDZNERSIJN-QIDMFYOTSA-N 0 3 440.588 2.449 40 0 IEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106602 557040599 /nfs/dbraw/zinc/04/05/99/557040599.db2.gz CPZWSCXEGGLCMU-ZJSXRUAMSA-N 0 3 425.504 2.225 40 0 IEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107020 557041505 /nfs/dbraw/zinc/04/15/05/557041505.db2.gz OJZIKLNMDMVCCO-RCZVLFRGSA-N 0 3 439.531 2.153 40 0 IEABHN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1 ZINC000585112120 557044626 /nfs/dbraw/zinc/04/46/26/557044626.db2.gz LROJDCNSRLBHHM-JOCHJYFZSA-N 0 3 432.528 2.472 40 0 IEABHN CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCN(C(C)(C)C)CC2)cc1 ZINC000023093014 557063162 /nfs/dbraw/zinc/06/31/62/557063162.db2.gz JELDBPWNWDUHDU-NRFANRHFSA-N 0 3 436.560 2.315 40 0 IEABHN CN1CCN(c2ccc3c(c2)onc3-c2ncc(C(=O)N3CCCN(C)CC3)s2)CC1 ZINC000096154596 557178591 /nfs/dbraw/zinc/17/85/91/557178591.db2.gz NKBXJLWAWOGPNL-UHFFFAOYSA-N 0 3 440.573 2.481 40 0 IEABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000096242224 557185900 /nfs/dbraw/zinc/18/59/00/557185900.db2.gz SEDMIRPKHUZIKS-IBGZPJMESA-N 0 3 428.577 2.028 40 0 IEABHN COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4cnn(C)c4)CC3)O2)c1 ZINC000096262969 557190647 /nfs/dbraw/zinc/19/06/47/557190647.db2.gz UFGXOWQZXNCHDG-FQEVSTJZSA-N 0 3 436.516 2.154 40 0 IEABHN CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585282133 557221276 /nfs/dbraw/zinc/22/12/76/557221276.db2.gz HNBQZBWXVHPKGR-GOTSBHOMSA-N 0 3 436.499 2.282 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286893 557225627 /nfs/dbraw/zinc/22/56/27/557225627.db2.gz JWQGOHJVPOCUCJ-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3cc(C)ccc32)cc1 ZINC000219403452 557242771 /nfs/dbraw/zinc/24/27/71/557242771.db2.gz BWRCGYQBGQKWNF-QFIPXVFZSA-N 0 3 443.569 2.470 40 0 IEABHN CN1CCC(Oc2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC000219673704 557262069 /nfs/dbraw/zinc/26/20/69/557262069.db2.gz WGOYOYBQXQJQFF-UHFFFAOYSA-N 0 3 443.525 2.333 40 0 IEABHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000015935407 557466886 /nfs/dbraw/zinc/46/68/86/557466886.db2.gz ASODOHHSUUHRIJ-UHFFFAOYSA-N 0 3 443.635 2.356 40 0 IEABHN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000015935817 557467116 /nfs/dbraw/zinc/46/71/16/557467116.db2.gz YKMMCSYVHWJOLS-UHFFFAOYSA-N 0 3 443.635 2.260 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccccc1 ZINC000017100278 557488783 /nfs/dbraw/zinc/48/87/83/557488783.db2.gz JDOHYXNJOJZTRX-NHCUHLMSSA-N 0 3 436.512 2.224 40 0 IEABHN NC1(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095585229 563188827 /nfs/dbraw/zinc/18/88/27/563188827.db2.gz JDUBGYFRJFOXQC-QGZVFWFLSA-N 0 3 428.924 2.149 40 0 in-vitro IEABHN CN(C)CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc43)C2)c1 ZINC000257247093 568687014 /nfs/dbraw/zinc/68/70/14/568687014.db2.gz IXJWAUWMSOKNJX-VWLOTQADSA-N 0 3 449.555 2.284 40 0 IEABHN CC1(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 ZINC000257254390 568690638 /nfs/dbraw/zinc/69/06/38/568690638.db2.gz KCVXLHOKDHNSLT-VWLOTQADSA-N 0 3 435.572 2.105 40 0 IEABHN Cn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2n(C)c1=O ZINC000257281487 568702597 /nfs/dbraw/zinc/70/25/97/568702597.db2.gz OPKGOJHZUTXGJH-QWFCFKBJSA-N 0 3 434.544 2.196 40 0 IEABHN Cc1cnc(CN2CCC[C@]3(C2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cn1 ZINC000257311239 568716010 /nfs/dbraw/zinc/71/60/10/568716010.db2.gz UIQBNZNIXBZDAD-MGPWBUOISA-N 0 3 449.555 2.252 40 0 IEABHN CC(C)(C)c1ccc(CN2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)c(OCC(N)=O)c1 ZINC000257341826 568729367 /nfs/dbraw/zinc/72/93/67/568729367.db2.gz ZMCSIPJEZANFOB-FXAWDEMLSA-N 0 3 430.593 2.010 40 0 IEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306130849 568766465 /nfs/dbraw/zinc/76/64/65/568766465.db2.gz JRDVVFMPCXNNEH-INIZCTEOSA-N 0 3 441.532 2.348 40 0 IEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306135408 568768909 /nfs/dbraw/zinc/76/89/09/568768909.db2.gz OPZZYQAJTFWXKK-SJORKVTESA-N 0 3 434.500 2.247 40 0 IEABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 ZINC000306141627 568772331 /nfs/dbraw/zinc/77/23/31/568772331.db2.gz WCFNALFOIWQMLJ-DEOSSOPVSA-N 0 3 438.576 2.439 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 ZINC000019692636 569228050 /nfs/dbraw/zinc/22/80/50/569228050.db2.gz HHOLGXCMAGCSMF-HXUWFJFHSA-N 0 3 427.549 2.460 40 0 IEABHN O=C(c1ccncc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699335 569230357 /nfs/dbraw/zinc/23/03/57/569230357.db2.gz SBJSILPBZIUZHO-OAQYLSRUSA-N 0 3 447.539 2.273 40 0 IEABHN Cc1cnc(C(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)NCCN(C)C)C2)cn1 ZINC000019701997 569231690 /nfs/dbraw/zinc/23/16/90/569231690.db2.gz MMMXTXQAIGSCKI-OAHLLOKOSA-N 0 3 438.557 2.316 40 0 IEABHN CCN(CC)CC(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703957 569233154 /nfs/dbraw/zinc/23/31/54/569233154.db2.gz XFPDDVZEZMOZTC-INIZCTEOSA-N 0 3 430.574 2.426 40 0 IEABHN COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1 ZINC000096113487 291336294 /nfs/dbraw/zinc/33/62/94/291336294.db2.gz BYOOEPBHXHLXKZ-RTBURBONSA-N 0 3 428.533 2.415 40 0 biogenic,in-vitro IEABHN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)no1 ZINC000096113489 291337130 /nfs/dbraw/zinc/33/71/30/291337130.db2.gz TTWBSNICFXSPKQ-SJLPKXTDSA-N 0 3 442.516 2.135 40 0 biogenic,in-vitro IEABHN CCOc1cc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)ccc1OCC(N)=O ZINC000012155338 520697761 /nfs/dbraw/zinc/69/77/61/520697761.db2.gz ORULIYTYAGGQNX-UHFFFAOYSA-N 0 3 438.532 2.262 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674815 521281129 /nfs/dbraw/zinc/28/11/29/521281129.db2.gz YCFYSUODLCAMTQ-WOJBJXKFSA-N 0 3 442.466 2.493 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CCN(Cc4ccncc4)C3)nc2C1 ZINC000019347705 556743411 /nfs/dbraw/zinc/74/34/11/556743411.db2.gz RGOARHQOKSGFJC-KRWDZBQOSA-N 0 3 433.487 2.492 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CCN(Cc4ccccn4)C3)nc2C1 ZINC000019347693 556743587 /nfs/dbraw/zinc/74/35/87/556743587.db2.gz YNHKFVKFUIEBJX-INIZCTEOSA-N 0 3 433.487 2.492 40 0 IEABHN COc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC(C)C ZINC000019450776 556761496 /nfs/dbraw/zinc/76/14/96/556761496.db2.gz MTLSHHSJWGPNTA-UHFFFAOYSA-N 0 3 428.533 2.415 40 0 IEABHN COc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC(C)C ZINC000019450776 556761499 /nfs/dbraw/zinc/76/14/99/556761499.db2.gz MTLSHHSJWGPNTA-UHFFFAOYSA-N 0 3 428.533 2.415 40 0 IEABHN CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019589771 556824647 /nfs/dbraw/zinc/82/46/47/556824647.db2.gz KSOKEWYSXLCENQ-VXKWHMMOSA-N 0 3 434.588 2.066 40 0 IEABHN C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@H](NCCC[NH+](C)C)C(=O)[O-])CCCC1 ZINC000065090368 556832333 /nfs/dbraw/zinc/83/23/33/556832333.db2.gz GCYBDHBZLYISHM-KRWDZBQOSA-N 0 3 441.594 2.125 40 0 IEABHN CN(C)CCOc1ccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1 ZINC000019708110 556868183 /nfs/dbraw/zinc/86/81/83/556868183.db2.gz OWWSXCXJENOQAM-UHFFFAOYSA-N 0 3 446.573 2.413 40 0 IEABHN O=C(NCCO)c1cc([C@@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc21 ZINC000019762703 556907530 /nfs/dbraw/zinc/90/75/30/556907530.db2.gz BABCVWUOFOBKJX-GOSISDBHSA-N 0 3 446.555 2.337 40 0 IEABHN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC000072352316 556923854 /nfs/dbraw/zinc/92/38/54/556923854.db2.gz HWMJBVHPZWJXLA-INIZCTEOSA-N 0 3 445.585 2.050 40 0 IEABHN CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCN(C(C)(C)C)CC2)cc1 ZINC000023093015 557063159 /nfs/dbraw/zinc/06/31/59/557063159.db2.gz JELDBPWNWDUHDU-OAQYLSRUSA-N 0 3 436.560 2.315 40 0 IEABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144409 557172484 /nfs/dbraw/zinc/17/24/84/557172484.db2.gz PRNQZZXZUIVIIV-DEOSSOPVSA-N 0 3 425.577 2.434 40 0 IEABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCCSc3nnnn3C)o2)c1 ZINC000022108641 557177862 /nfs/dbraw/zinc/17/78/62/557177862.db2.gz SCEUNXRRLRKDPW-UHFFFAOYSA-N 0 3 445.501 2.315 40 0 IEABHN Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096251303 557188327 /nfs/dbraw/zinc/18/83/27/557188327.db2.gz JKWDJLFDLNKZSX-RDGATRHJSA-N 0 3 437.588 2.100 40 0 IEABHN CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)on1 ZINC000585261667 557195408 /nfs/dbraw/zinc/19/54/08/557195408.db2.gz PUAMBTTXPGZCQH-HWBMXIPRSA-N 0 3 440.588 2.456 40 0 IEABHN Cn1ccnc1COc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269663 557213791 /nfs/dbraw/zinc/21/37/91/557213791.db2.gz HIQSNHZPLGEULU-DQEYMECFSA-N 0 3 447.583 2.366 40 0 IEABHN O[C@H]1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282755 557222110 /nfs/dbraw/zinc/22/21/10/557222110.db2.gz NNJQGLJPIWFFOV-UPVQGACJSA-N 0 3 448.510 2.173 40 0 IEABHN Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)c1 ZINC000585284139 557222847 /nfs/dbraw/zinc/22/28/47/557222847.db2.gz VFLKQIAIJLIYGX-ZCYQVOJMSA-N 0 3 444.547 2.342 40 0 IEABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)cc1 ZINC000585284368 557224070 /nfs/dbraw/zinc/22/40/70/557224070.db2.gz XJACFQMWPSJDBH-ZCYQVOJMSA-N 0 3 444.547 2.342 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287199 557225884 /nfs/dbraw/zinc/22/58/84/557225884.db2.gz KWULLHISOFUOMA-XMMPIXPASA-N 0 3 430.520 2.299 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287558 557227648 /nfs/dbraw/zinc/22/76/48/557227648.db2.gz OJIWURFCMWEFEV-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1OC ZINC000113935415 557379028 /nfs/dbraw/zinc/37/90/28/557379028.db2.gz PCYWBCQYRSMZMQ-UHFFFAOYSA-N 0 3 447.557 2.110 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000113938109 557379465 /nfs/dbraw/zinc/37/94/65/557379465.db2.gz QDKXFWSODLCZNL-UHFFFAOYSA-N 0 3 431.558 2.409 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000113937084 557379469 /nfs/dbraw/zinc/37/94/69/557379469.db2.gz GNBGXYVTWXLFJQ-UHFFFAOYSA-N 0 3 435.521 2.240 40 0 IEABHN COCCn1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(C2CCCCC2)CC1 ZINC000019594036 557506322 /nfs/dbraw/zinc/50/63/22/557506322.db2.gz HYGFDBAFMHUPCE-NRFANRHFSA-N 0 3 444.580 2.376 40 0 IEABHN CC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585270821 568616830 /nfs/dbraw/zinc/61/68/30/568616830.db2.gz DFICNJNXGARAMF-RUZDIDTESA-N 0 3 441.572 2.101 40 0 IEABHN COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269951 568616879 /nfs/dbraw/zinc/61/68/79/568616879.db2.gz QWTWSALFFQAFQO-VWLOTQADSA-N 0 3 444.572 2.152 40 0 IEABHN C[C@@]1(O)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@H]1n1cnc2c1ncnc2N ZINC000257291834 568707503 /nfs/dbraw/zinc/70/75/03/568707503.db2.gz QIUNNTQVCQEBLF-NTKDMRAZSA-N 0 3 449.559 2.233 40 0 IEABHN CCn1cc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)N(C)C[C@]3(NC(C)=O)C2)c(C)n1 ZINC000257309866 568715384 /nfs/dbraw/zinc/71/53/84/568715384.db2.gz UCSKJKBBUFXVNG-HUVFLSCGSA-N 0 3 438.576 2.033 40 0 IEABHN Cc1ncc(-c2cc(CC3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)ccn2)n1C ZINC000257324151 568721992 /nfs/dbraw/zinc/72/19/92/568721992.db2.gz WNKFXXWTTRFEAM-UHFFFAOYSA-N 0 3 431.606 2.469 40 0 IEABHN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCCN2CCCC2)c1 ZINC000257327521 568723346 /nfs/dbraw/zinc/72/33/46/568723346.db2.gz XBRCTRNEFKOPDL-DEOSSOPVSA-N 0 3 439.560 2.055 40 0 IEABHN Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)C1 ZINC000257344808 568730460 /nfs/dbraw/zinc/73/04/60/568730460.db2.gz ZYTCZMDNTLDMOO-XMMPIXPASA-N 0 3 449.559 2.161 40 0 IEABHN Cc1ccc(CN2CC[C@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 ZINC000306143228 568773114 /nfs/dbraw/zinc/77/31/14/568773114.db2.gz XWSZNWAGTNAJGK-FQEVSTJZSA-N 0 3 429.571 2.037 40 0 IEABHN CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@@H]4C3)n2)CC1 ZINC000019590145 569227218 /nfs/dbraw/zinc/22/72/18/569227218.db2.gz UCOUXTFXVNJXJE-KUWBRRTOSA-N 0 3 425.552 2.487 40 0 IEABHN CC(C)C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699333 569230376 /nfs/dbraw/zinc/23/03/76/569230376.db2.gz XWKQBWDFICHJAP-UHFFFAOYSA-N 0 3 426.561 2.263 40 0 IEABHN O=C(c1cccnc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699634 569230621 /nfs/dbraw/zinc/23/06/21/569230621.db2.gz JIYALLSYDYCQJM-OAQYLSRUSA-N 0 3 447.539 2.273 40 0 IEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699642 569230715 /nfs/dbraw/zinc/23/07/15/569230715.db2.gz WILDIILMECNOTF-NRSPTQNISA-N 0 3 438.572 2.263 40 0 IEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 ZINC000019709644 569234704 /nfs/dbraw/zinc/23/47/04/569234704.db2.gz IKERSOZRQKQYKP-INIZCTEOSA-N 0 3 433.578 2.147 40 0 IEABHN COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23C=C[C@@H]1[C@@]1(C)Oc4c5c(ccc4OC)C[C@H]2N(C)CC[C@]513 ZINC000096316399 291333712 /nfs/dbraw/zinc/33/37/12/291333712.db2.gz QCYVGCPBTZGMEM-SZTGVVSUSA-N 0 3 439.508 2.109 40 0 biogenic,in-vitro IEABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013673277 556553447 /nfs/dbraw/zinc/55/34/47/556553447.db2.gz HDFDGKWDZFKENX-UHFFFAOYSA-N 0 3 425.938 2.222 40 0 IEABHN COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(C4CCC(F)(F)CC4)C3)C2)c1 ZINC000514289269 556625526 /nfs/dbraw/zinc/62/55/26/556625526.db2.gz KOUMWNSFRSGPLF-LEWJYISDSA-N 0 3 449.542 2.356 40 0 biogenic,in-vitro IEABHN CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1ccnc1C ZINC000257343935 556716803 /nfs/dbraw/zinc/71/68/03/556716803.db2.gz ZUZUGDNEBRIMGI-DEOSSOPVSA-N 0 3 445.567 2.355 40 0 IEABHN Cc1nc(C)n(CC(=O)N2CCCC[C@H]3CN(C(=O)c4ccc(CN(C)C)cc4)C[C@H]32)n1 ZINC000019285740 556727498 /nfs/dbraw/zinc/72/74/98/556727498.db2.gz OXVYQUXTLBTVBZ-FCHUYYIVSA-N 0 3 438.576 2.110 40 0 IEABHN O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N1CCN(C2CCCC2)CC1 ZINC000019292045 556731662 /nfs/dbraw/zinc/73/16/62/556731662.db2.gz KCUVWRKZHWZBKN-UHFFFAOYSA-N 0 3 441.620 2.236 40 0 IEABHN O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CCN(Cc4cccnc4)C3)nc2C1 ZINC000019347695 556743580 /nfs/dbraw/zinc/74/35/80/556743580.db2.gz KXGSNQFBLMTAOF-QGZVFWFLSA-N 0 3 433.487 2.492 40 0 IEABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)C3CCC3)C[C@H]2C1=O ZINC000019526390 556784512 /nfs/dbraw/zinc/78/45/12/556784512.db2.gz OWDRKLVOMKVBCU-CYFREDJKSA-N 0 3 426.561 2.122 40 0 IEABHN COc1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549805 556795037 /nfs/dbraw/zinc/79/50/37/556795037.db2.gz AAJHRUMUZORVFH-OAHLLOKOSA-N 0 3 425.493 2.068 40 0 IEABHN COCCn1c2nc([C@@H]3CCCN(Cc4ccc(OC)cc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743588 556888164 /nfs/dbraw/zinc/88/81/64/556888164.db2.gz JHWKDWBWYDICTA-GOSISDBHSA-N 0 3 438.528 2.130 40 0 IEABHN O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)N1CCN(C2CCCC2)CC1 ZINC000019750301 556894398 /nfs/dbraw/zinc/89/43/98/556894398.db2.gz OOFWIVYFQFUVDY-UHFFFAOYSA-N 0 3 426.492 2.327 40 0 IEABHN Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000019756469 556900165 /nfs/dbraw/zinc/90/01/65/556900165.db2.gz AQYNVFUIKCSXPA-UHFFFAOYSA-N 0 3 441.551 2.366 40 0 IEABHN CCOC(=O)[C@@H]1CN(Cc2ccc(CN(C)C)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334317 556906860 /nfs/dbraw/zinc/90/68/60/556906860.db2.gz FBVMZNZUCCVKCV-OFVILXPXSA-N 0 3 437.540 2.304 40 0 IEABHN CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3cnn(C)c3)CC2)C1 ZINC000072372420 556942808 /nfs/dbraw/zinc/94/28/08/556942808.db2.gz LJXULDCESJQIQN-QFIPXVFZSA-N 0 3 437.588 2.456 40 0 IEABHN COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393138 556964225 /nfs/dbraw/zinc/96/42/25/556964225.db2.gz AGXUJLJYYUXGNZ-SFHVURJKSA-N 0 3 449.511 2.084 40 0 IEABHN COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393138 556964227 /nfs/dbraw/zinc/96/42/27/556964227.db2.gz AGXUJLJYYUXGNZ-SFHVURJKSA-N 0 3 449.511 2.084 40 0 IEABHN O=C(C[C@H]1C=CCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000072398892 556971259 /nfs/dbraw/zinc/97/12/59/556971259.db2.gz KLGVZCLRDHWJCB-KRWDZBQOSA-N 0 3 426.561 2.369 40 0 IEABHN CS(=O)(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000072399204 556971817 /nfs/dbraw/zinc/97/18/17/556971817.db2.gz NPDYXIIBLQUPKH-QGZVFWFLSA-N 0 3 436.603 2.350 40 0 IEABHN O=C1C[C@@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000015080790 556977776 /nfs/dbraw/zinc/97/77/76/556977776.db2.gz QXPAJEDHDJWFNJ-LJQANCHMSA-N 0 3 447.944 2.415 40 0 IEABHN Cc1cc(C)cc(C(=O)N2CC[C@]3(C2)CCc2nnc(C(=O)NCCN(C)C)n2CC3)c1 ZINC000585106806 557041127 /nfs/dbraw/zinc/04/11/27/557041127.db2.gz SKLFOKDKRDSPPO-XMMPIXPASA-N 0 3 438.576 2.055 40 0 IEABHN CC(C)CCN1Cc2c(C(=O)N(C)CCN(C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147519 557177334 /nfs/dbraw/zinc/17/73/34/557177334.db2.gz NQTUDNCLBMVGHI-UHFFFAOYSA-N 0 3 433.578 2.056 40 0 IEABHN CCc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243757 557187658 /nfs/dbraw/zinc/18/76/58/557187658.db2.gz ZZQAFMSPQOYOTQ-AZUAARDMSA-N 0 3 428.533 2.224 40 0 IEABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O ZINC000096262672 557190034 /nfs/dbraw/zinc/19/00/34/557190034.db2.gz LSVYNPUKEJFRRD-QHCPKHFHSA-N 0 3 448.633 2.204 40 0 IEABHN COCC(=O)N1CCN(CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283094 557222449 /nfs/dbraw/zinc/22/24/49/557222449.db2.gz PSIGUOJXPVXYEO-RUZDIDTESA-N 0 3 448.604 2.289 40 0 IEABHN CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585270560 568617151 /nfs/dbraw/zinc/61/71/51/568617151.db2.gz ZRGGBZHMPVVRLB-RUZDIDTESA-N 0 3 438.572 2.198 40 0 IEABHN O[C@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274737 568618435 /nfs/dbraw/zinc/61/84/35/568618435.db2.gz ZUKKDSNWLJLQMC-QFIPXVFZSA-N 0 3 439.547 2.066 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585286032 568619075 /nfs/dbraw/zinc/61/90/75/568619075.db2.gz GYPLOCYCHBARBT-XMMPIXPASA-N 0 3 430.520 2.299 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287782 568619306 /nfs/dbraw/zinc/61/93/06/568619306.db2.gz RMXNEBCVJRXQRO-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)ncn1 ZINC000257259948 568693013 /nfs/dbraw/zinc/69/30/13/568693013.db2.gz LASVFMMEXBQITR-VWLOTQADSA-N 0 3 437.588 2.139 40 0 IEABHN CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1 ZINC000257266538 568696203 /nfs/dbraw/zinc/69/62/03/568696203.db2.gz MDKNOOATFBYZCD-GMAHTHKFSA-N 0 3 443.588 2.263 40 0 IEABHN CN(C)CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1 ZINC000257285900 568704792 /nfs/dbraw/zinc/70/47/92/568704792.db2.gz PJJJYWDXAADXJX-JOCHJYFZSA-N 0 3 448.527 2.275 40 0 IEABHN CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)no1 ZINC000257305177 568713602 /nfs/dbraw/zinc/71/36/02/568713602.db2.gz SOSQACBHFLKKFR-LSQMVHIFSA-N 0 3 440.588 2.456 40 0 IEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306141623 568772157 /nfs/dbraw/zinc/77/21/57/568772157.db2.gz WCEGGZIDLLWJSN-RBUKOAKNSA-N 0 3 431.496 2.241 40 0 IEABHN CCn1cc(CN(C)C(=O)[C@H]2CN(C(C)=O)C[C@@H]2c2ccc(CN(C)C)cc2)c(C)n1 ZINC000019699196 569230289 /nfs/dbraw/zinc/23/02/89/569230289.db2.gz NLQWXRQUPXUHMT-PKTZIBPZSA-N 0 3 425.577 2.494 40 0 IEABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2c[nH]cn2)CC1 ZINC000019699325 569230441 /nfs/dbraw/zinc/23/04/41/569230441.db2.gz ZREUWDKKTPLMLO-UHFFFAOYSA-N 0 3 436.560 2.003 40 0 IEABHN CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699960 569231034 /nfs/dbraw/zinc/23/10/34/569231034.db2.gz KDJILJSFNBEMRI-HXUWFJFHSA-N 0 3 426.561 2.263 40 0 IEABHN CCN(CC)CC(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703956 569233168 /nfs/dbraw/zinc/23/31/68/569233168.db2.gz XFPDDVZEZMOZTC-MRXNPFEDSA-N 0 3 430.574 2.426 40 0 IEABHN Cc1nc([C@H]2CCCN(Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O ZINC000019763693 569238082 /nfs/dbraw/zinc/23/80/82/569238082.db2.gz MJRAIGICJVGDGA-IBGZPJMESA-N 0 3 437.544 2.265 40 0 IEABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccccc1 ZINC000067870877 291338017 /nfs/dbraw/zinc/33/80/17/291338017.db2.gz FEFYAJMDOKWGIX-JAXLGGSGSA-N 0 3 435.576 2.131 40 0 biogenic,in-vitro IEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 ZINC000408710033 556116598 /nfs/dbraw/zinc/11/65/98/556116598.db2.gz MCVQXXAQTQDOPF-SFHVURJKSA-N 0 3 438.528 2.164 40 0 IEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 ZINC000408710176 556116924 /nfs/dbraw/zinc/11/69/24/556116924.db2.gz RETMVCWBACIVRM-SFHVURJKSA-N 0 3 438.528 2.164 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(Cl)c2)cc1 ZINC000010111607 556325966 /nfs/dbraw/zinc/32/59/66/556325966.db2.gz IBXIULNLUHTFQI-UHFFFAOYSA-N 0 3 425.938 2.222 40 0 IEABHN COc1ccc(N([C@@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000013680788 556556310 /nfs/dbraw/zinc/55/63/10/556556310.db2.gz GNIUZCHEANDQSR-HNNXBMFYSA-N 0 3 431.986 2.495 40 0 IEABHN CN1CCN(CCCn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)CC1 ZINC000040398103 556639977 /nfs/dbraw/zinc/63/99/77/556639977.db2.gz GGZCMHNPJRHVOI-UHFFFAOYSA-N 0 3 437.935 2.397 40 0 IEABHN CC(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019017824 556692796 /nfs/dbraw/zinc/69/27/96/556692796.db2.gz KNJGTYWTWMEUDV-DHIUTWEWSA-N 0 3 437.515 2.447 40 0 IEABHN OCCCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257335326 556706320 /nfs/dbraw/zinc/70/63/20/556706320.db2.gz YJRXSLUCVRRULX-VWLOTQADSA-N 0 3 425.573 2.207 40 0 IEABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 ZINC000257234832 556709662 /nfs/dbraw/zinc/70/96/62/556709662.db2.gz GVGUOVDVZJVZMF-QFIPXVFZSA-N 0 3 442.556 2.413 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCCN(c4cnccn4)C3)cc2)n1 ZINC000257238707 556710073 /nfs/dbraw/zinc/71/00/73/556710073.db2.gz HMDWFPINJINIPB-DEOSSOPVSA-N 0 3 436.560 2.490 40 0 IEABHN Cc1ncc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cn1 ZINC000257276952 556714622 /nfs/dbraw/zinc/71/46/22/556714622.db2.gz NVWIUEQTMRVUED-LSQMVHIFSA-N 0 3 437.588 2.004 40 0 IEABHN Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257286206 556715680 /nfs/dbraw/zinc/71/56/80/556715680.db2.gz PKSLPRLYSSNKDT-DEOSSOPVSA-N 0 3 439.560 2.021 40 0 IEABHN O=C(c1cccc(F)c1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000019293589 556733110 /nfs/dbraw/zinc/73/31/10/556733110.db2.gz WQYVGWCZEZSOSA-UHFFFAOYSA-N 0 3 440.519 2.466 40 0 IEABHN O=C(CCCN1C(=O)CNC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019332747 556737551 /nfs/dbraw/zinc/73/75/51/556737551.db2.gz ZAPMSXDWJWTBKY-UHFFFAOYSA-N 0 3 432.952 2.284 40 0 IEABHN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019333289 556737863 /nfs/dbraw/zinc/73/78/63/556737863.db2.gz NSZQWTOTGHZPIB-NRFANRHFSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019333289 556737865 /nfs/dbraw/zinc/73/78/65/556737865.db2.gz NSZQWTOTGHZPIB-NRFANRHFSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(NCCN1CCCC1=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372560 556749119 /nfs/dbraw/zinc/74/91/19/556749119.db2.gz XRKXHHVLBGZUAD-FGZHOGPDSA-N 0 3 437.515 2.495 40 0 IEABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450497 556761444 /nfs/dbraw/zinc/76/14/44/556761444.db2.gz SIJJJVNXCPINPE-UHFFFAOYSA-N 0 3 428.533 2.415 40 0 IEABHN COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450497 556761446 /nfs/dbraw/zinc/76/14/46/556761446.db2.gz SIJJJVNXCPINPE-UHFFFAOYSA-N 0 3 428.533 2.415 40 0 IEABHN CC1CCC([N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495948 556768431 /nfs/dbraw/zinc/76/84/31/556768431.db2.gz QDZJYYKEFVCNAI-AQFXKWCLSA-N 0 3 437.610 2.105 40 0 IEABHN CC1CCC([N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495948 556768433 /nfs/dbraw/zinc/76/84/33/556768433.db2.gz QDZJYYKEFVCNAI-AQFXKWCLSA-N 0 3 437.610 2.105 40 0 IEABHN C[C@H]1Cc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497862 556770331 /nfs/dbraw/zinc/77/03/31/556770331.db2.gz HLSNKMNTXWKVML-KSFYIVLOSA-N 0 3 449.617 2.201 40 0 IEABHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499915 556771772 /nfs/dbraw/zinc/77/17/72/556771772.db2.gz PUJXXFUBRSZFKN-HTAPYJJXSA-N 0 3 436.560 2.315 40 0 IEABHN CCOc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)ccc1OCC(N)=O ZINC000019532219 556792623 /nfs/dbraw/zinc/79/26/23/556792623.db2.gz HOONNJBKEWILRF-VGSWGCGISA-N 0 3 433.455 2.337 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587271 556823586 /nfs/dbraw/zinc/82/35/86/556823586.db2.gz WOVMGSVSPMTJJD-FXAWDEMLSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587271 556823589 /nfs/dbraw/zinc/82/35/89/556823589.db2.gz WOVMGSVSPMTJJD-FXAWDEMLSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O ZINC000019587271 556823592 /nfs/dbraw/zinc/82/35/92/556823592.db2.gz WOVMGSVSPMTJJD-FXAWDEMLSA-N 0 3 441.576 2.262 40 0 IEABHN COCCOc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593625 556829745 /nfs/dbraw/zinc/82/97/45/556829745.db2.gz XYOWDHNOCMIRDM-UHFFFAOYSA-N 0 3 428.533 2.005 40 0 IEABHN COCCOc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019593625 556829749 /nfs/dbraw/zinc/82/97/49/556829749.db2.gz XYOWDHNOCMIRDM-UHFFFAOYSA-N 0 3 428.533 2.005 40 0 IEABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 ZINC000019707480 556867503 /nfs/dbraw/zinc/86/75/03/556867503.db2.gz MBYQCXCZDLYZTD-GOSISDBHSA-N 0 3 443.573 2.082 40 0 IEABHN CC[C@@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1)N1CCCC1 ZINC000019710958 556875093 /nfs/dbraw/zinc/87/50/93/556875093.db2.gz LEUAEDMUZSMBGD-FQEVSTJZSA-N 0 3 428.581 2.003 40 0 IEABHN O=C(Cn1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750806 556894794 /nfs/dbraw/zinc/89/47/94/556894794.db2.gz FPZXAYGYHVCASI-UHFFFAOYSA-N 0 3 440.519 2.004 40 0 IEABHN O=C(NCCO)c1cc([C@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc21 ZINC000019762705 556907468 /nfs/dbraw/zinc/90/74/68/556907468.db2.gz BABCVWUOFOBKJX-SFHVURJKSA-N 0 3 446.555 2.337 40 0 IEABHN CCCNC(=O)CN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C1=O ZINC000072341884 556914344 /nfs/dbraw/zinc/91/43/44/556914344.db2.gz WRDMBXWXWAUMCI-CPJSRVTESA-N 0 3 434.540 2.180 40 0 IEABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CN3CCCCCC3)C2)c1 ZINC000072346137 556917469 /nfs/dbraw/zinc/91/74/69/556917469.db2.gz MJTZVCWNDQYDDH-IBGZPJMESA-N 0 3 436.560 2.407 40 0 IEABHN C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000072394920 556966217 /nfs/dbraw/zinc/96/62/17/556966217.db2.gz XVGAMVDAZYBJSP-WMZOPIPTSA-N 0 3 429.492 2.061 40 0 IEABHN Cc1cccnc1C[NH+]1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccnc2)CC3)CC1 ZINC000072399012 556971223 /nfs/dbraw/zinc/97/12/23/556971223.db2.gz ORRLVFLZWGQAHW-UHFFFAOYSA-N 0 3 444.539 2.446 40 0 IEABHN C[C@@H]1CCN(C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C[C@H]1O ZINC000585102996 557036796 /nfs/dbraw/zinc/03/67/96/557036796.db2.gz AXNUXDVZSSKJNJ-UEVCKROQSA-N 0 3 429.605 2.396 40 0 IEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103138 557037078 /nfs/dbraw/zinc/03/70/78/557037078.db2.gz DNERTBHOYFIEJY-VOQZNFBZSA-N 0 3 432.561 2.418 40 0 IEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107021 557041382 /nfs/dbraw/zinc/04/13/82/557041382.db2.gz OJZIKLNMDMVCCO-RDGATRHJSA-N 0 3 439.531 2.153 40 0 IEABHN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036537 557163381 /nfs/dbraw/zinc/16/33/81/557163381.db2.gz ZJXYCEPOCFJPOP-HXUWFJFHSA-N 0 3 425.620 2.153 40 0 IEABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccccc1F)CCC2 ZINC000096083066 557168513 /nfs/dbraw/zinc/16/85/13/557168513.db2.gz TYVLEAWEROVGPB-JPYJTQIMSA-N 0 3 427.524 2.002 40 0 IEABHN COc1cccc(CC(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 ZINC000096143577 557170485 /nfs/dbraw/zinc/17/04/85/557170485.db2.gz HTFOQYKQVUERPM-XZOQPEGZSA-N 0 3 448.567 2.214 40 0 IEABHN O=C(COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 ZINC000585270458 557214208 /nfs/dbraw/zinc/21/42/08/557214208.db2.gz KOCAAVLNODWLTI-VWLOTQADSA-N 0 3 440.540 2.330 40 0 IEABHN CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)c1 ZINC000585283756 557223078 /nfs/dbraw/zinc/22/30/78/557223078.db2.gz UMYQORAFXUSNKM-GOTSBHOMSA-N 0 3 436.499 2.282 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585283579 557223179 /nfs/dbraw/zinc/22/31/79/557223179.db2.gz RZUPDAGUYMURHM-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN COc1ccc(N2C(=O)C[C@@H](N3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)C2=O)cc1 ZINC000102405573 557301560 /nfs/dbraw/zinc/30/15/60/557301560.db2.gz WTNIDTAHQKVOAE-LJQANCHMSA-N 0 3 432.484 2.387 40 0 IEABHN COc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCC(C)CC1 ZINC000585274395 568618405 /nfs/dbraw/zinc/61/84/05/568618405.db2.gz VXNKBTSTBHRYFE-RUZDIDTESA-N 0 3 447.620 2.075 40 0 IEABHN CN1CCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@@H]2O)CC1 ZINC000257201960 568666191 /nfs/dbraw/zinc/66/61/91/568666191.db2.gz AJUUNWUUDNHIFS-SFTDATJTSA-N 0 3 433.593 2.020 40 0 IEABHN CN1CC[NH+]([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@@H]2O)CC1 ZINC000257201960 568666192 /nfs/dbraw/zinc/66/61/92/568666192.db2.gz AJUUNWUUDNHIFS-SFTDATJTSA-N 0 3 433.593 2.020 40 0 IEABHN CN1C(=O)CCC[C@]12CN(Cc1ccnc(N3CCOCC3)n1)C[C@H]2c1ccc(F)cc1 ZINC000257203377 568666770 /nfs/dbraw/zinc/66/67/70/568666770.db2.gz APSUBVMXBHVWLG-XUZZJYLKSA-N 0 3 439.535 2.433 40 0 IEABHN Cc1cccc(NC(=O)CCCC(=O)N2[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]2c2ccccc2)n1 ZINC000257217444 568673222 /nfs/dbraw/zinc/67/32/22/568673222.db2.gz CYYVJIHCUTWDSR-MSYCTHLASA-N 0 3 437.544 2.257 40 0 IEABHN CN(CC1CC[NH+](C)CC1)C(=O)c1c([O-])ccc2c1O[C@@H]1C[C@H]3C[C@H](C3(C)C)[C@]1(O)[C@H]2O ZINC000257231586 568679777 /nfs/dbraw/zinc/67/97/77/568679777.db2.gz GHJJUNOUMIRJLJ-UQJUYAFZSA-N 0 3 444.572 2.398 40 0 IEABHN CN(C)CCOc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc43)C2)cc1 ZINC000257256579 568691599 /nfs/dbraw/zinc/69/15/99/568691599.db2.gz KMBHBHFUSGDMON-VWLOTQADSA-N 0 3 449.555 2.284 40 0 IEABHN CN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1 ZINC000257285901 568704739 /nfs/dbraw/zinc/70/47/39/568704739.db2.gz PJJJYWDXAADXJX-QFIPXVFZSA-N 0 3 448.527 2.275 40 0 IEABHN Cc1cnc(CN2CCC[C@@]3(C2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cn1 ZINC000257311240 568715932 /nfs/dbraw/zinc/71/59/32/568715932.db2.gz UIQBNZNIXBZDAD-YQRKEEQESA-N 0 3 449.555 2.252 40 0 IEABHN Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1 ZINC000257312773 568716872 /nfs/dbraw/zinc/71/68/72/568716872.db2.gz UPLKKOJBLMUNJP-DEOSSOPVSA-N 0 3 439.560 2.021 40 0 IEABHN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCCN2CCCC2)c1 ZINC000257327522 568723474 /nfs/dbraw/zinc/72/34/74/568723474.db2.gz XBRCTRNEFKOPDL-XMMPIXPASA-N 0 3 439.560 2.055 40 0 IEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccsc3)CC1)CCN(c1ncccn1)C2 ZINC000306124346 568763186 /nfs/dbraw/zinc/76/31/86/568763186.db2.gz BNFNWBJVVIYDTO-UHFFFAOYSA-N 0 3 434.569 2.496 40 0 IEABHN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@H]3N2CC2CC2)cc1 ZINC000306128997 568765490 /nfs/dbraw/zinc/76/54/90/568765490.db2.gz HQWJXWTVGAQMKF-BWAGFHJFSA-N 0 3 426.561 2.358 40 0 IEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3cccnc3)CC1)CCN(Cc1cccnc1)C2 ZINC000306140842 568772027 /nfs/dbraw/zinc/77/20/27/568772027.db2.gz VFDYXTLBSKYBAL-UHFFFAOYSA-N 0 3 442.567 2.430 40 0 IEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306141622 568772109 /nfs/dbraw/zinc/77/21/09/568772109.db2.gz WCEGGZIDLLWJSN-OALUTQOASA-N 0 3 431.496 2.241 40 0 IEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306141621 568772233 /nfs/dbraw/zinc/77/22/33/568772233.db2.gz WCEGGZIDLLWJSN-MOPGFXCFSA-N 0 3 431.496 2.241 40 0 IEABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010733 568809321 /nfs/dbraw/zinc/80/93/21/568809321.db2.gz MAVJADRHLFHDDL-INIZCTEOSA-N 0 3 425.455 2.450 40 0 IEABHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509270 568844831 /nfs/dbraw/zinc/84/48/31/568844831.db2.gz NSJGEXWTVXFQHP-OTWHNJEPSA-N 0 3 437.606 2.380 40 0 IEABHN C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699330 569230462 /nfs/dbraw/zinc/23/04/62/569230462.db2.gz ZTPILHZUZBFEJL-WIYYLYMNSA-N 0 3 438.572 2.263 40 0 IEABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O ZINC000019699826 569230899 /nfs/dbraw/zinc/23/08/99/569230899.db2.gz YLEZBLUNJWFVPA-GOSISDBHSA-N 0 3 430.524 2.156 40 0 IEABHN C[N@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870725 291332770 /nfs/dbraw/zinc/33/27/70/291332770.db2.gz MOPCRIUPXFIAMN-CMKODMSKSA-N 0 3 434.631 2.306 40 0 biogenic,in-vitro IEABHN C[N@@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870725 291332772 /nfs/dbraw/zinc/33/27/72/291332772.db2.gz MOPCRIUPXFIAMN-CMKODMSKSA-N 0 3 434.631 2.306 40 0 biogenic,in-vitro IEABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299846 291336472 /nfs/dbraw/zinc/33/64/72/291336472.db2.gz BRWNLAZCMASSRZ-SXLOBPIMSA-N 0 3 439.560 2.075 40 0 biogenic,in-vitro IEABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000012602094 291337330 /nfs/dbraw/zinc/33/73/30/291337330.db2.gz RYNAMFLNIVKKOC-SXLOBPIMSA-N 0 3 427.524 2.446 40 0 biogenic,in-vitro IEABHN OCC1CCC(NC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)CC1 ZINC000067898461 291339419 /nfs/dbraw/zinc/33/94/19/291339419.db2.gz QJPDJZLYYUVIMK-UHFFFAOYSA-N 0 3 440.588 2.449 40 0 biogenic,in-vitro IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674818 521093237 /nfs/dbraw/zinc/09/32/37/521093237.db2.gz YCFYSUODLCAMTQ-VQTJNVASSA-N 0 3 442.466 2.493 40 0 IEABHN Cc1ccc(OCCCN2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C(=O)N3)cc1 ZINC000012124394 525411399 /nfs/dbraw/zinc/41/13/99/525411399.db2.gz UORPZFVNZGSGRK-PXDATVDWSA-N 0 3 437.540 2.345 40 0 IEABHN COc1ccc2c(c1)C(=O)N[C@]1(CN(Cc3ccccc3OC)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012124679 525508941 /nfs/dbraw/zinc/50/89/41/525508941.db2.gz VWNXDDHYGDHXMX-BWKNWUBXSA-N 0 3 437.540 2.339 40 0 IEABHN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(c3cc(C)nc(N)n3)C2)on1 ZINC000012184485 556402781 /nfs/dbraw/zinc/40/27/81/556402781.db2.gz OXPJPMSMERSAOG-KRWDZBQOSA-N 0 3 449.563 2.256 40 0 IEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000257232257 556709337 /nfs/dbraw/zinc/70/93/37/556709337.db2.gz GJZUULNNCLKBDR-VWLOTQADSA-N 0 3 441.547 2.367 40 0 IEABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 ZINC000257234831 556709621 /nfs/dbraw/zinc/70/96/21/556709621.db2.gz GVGUOVDVZJVZMF-JOCHJYFZSA-N 0 3 442.556 2.413 40 0 IEABHN Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 ZINC000257286207 556715727 /nfs/dbraw/zinc/71/57/27/556715727.db2.gz PKSLPRLYSSNKDT-XMMPIXPASA-N 0 3 439.560 2.021 40 0 IEABHN O=C(c1ccc(F)cc1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000019332112 556737265 /nfs/dbraw/zinc/73/72/65/556737265.db2.gz MNXUZKXWBKVAIO-UHFFFAOYSA-N 0 3 440.519 2.466 40 0 IEABHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019333292 556737784 /nfs/dbraw/zinc/73/77/84/556737784.db2.gz NSZQWTOTGHZPIB-OAQYLSRUSA-N 0 3 440.519 2.352 40 0 IEABHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019333292 556737788 /nfs/dbraw/zinc/73/77/88/556737788.db2.gz NSZQWTOTGHZPIB-OAQYLSRUSA-N 0 3 440.519 2.352 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587275 556823766 /nfs/dbraw/zinc/82/37/66/556823766.db2.gz WOVMGSVSPMTJJD-PXNSSMCTSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587275 556823767 /nfs/dbraw/zinc/82/37/67/556823767.db2.gz WOVMGSVSPMTJJD-PXNSSMCTSA-N 0 3 441.576 2.262 40 0 IEABHN CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O ZINC000019587275 556823769 /nfs/dbraw/zinc/82/37/69/556823769.db2.gz WOVMGSVSPMTJJD-PXNSSMCTSA-N 0 3 441.576 2.262 40 0 IEABHN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C1)CO2 ZINC000019590213 556825264 /nfs/dbraw/zinc/82/52/64/556825264.db2.gz VLERZGFULWJPFQ-OAHLLOKOSA-N 0 3 436.512 2.361 40 0 IEABHN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C1)CO2 ZINC000019590213 556825268 /nfs/dbraw/zinc/82/52/68/556825268.db2.gz VLERZGFULWJPFQ-OAHLLOKOSA-N 0 3 436.512 2.361 40 0 IEABHN CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)CN3CCCCCC3)n2)CC1=O ZINC000019697410 556854527 /nfs/dbraw/zinc/85/45/27/556854527.db2.gz WPQJRPUFUKHVSD-GOSISDBHSA-N 0 3 430.597 2.101 40 0 IEABHN COc1cc(C)ccc1CNCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 ZINC000019697813 556855781 /nfs/dbraw/zinc/85/57/81/556855781.db2.gz QAAPAAMKCRRSOG-UHFFFAOYSA-N 0 3 439.560 2.199 40 0 IEABHN CC[C@@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701059 556860909 /nfs/dbraw/zinc/86/09/09/556860909.db2.gz DMDNNLHHQRCVAP-LJQANCHMSA-N 0 3 436.560 2.138 40 0 IEABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000019707110 556866304 /nfs/dbraw/zinc/86/63/04/556866304.db2.gz URFJYWJVSSQVHX-MRXNPFEDSA-N 0 3 431.562 2.315 40 0 IEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)c(C)c1)CC2 ZINC000019711372 556875875 /nfs/dbraw/zinc/87/58/75/556875875.db2.gz GMPGAUJHDVKLPC-UHFFFAOYSA-N 0 3 445.589 2.392 40 0 IEABHN COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392982 556964202 /nfs/dbraw/zinc/96/42/02/556964202.db2.gz LMSRNCGXBVDDCT-SFHVURJKSA-N 0 3 449.511 2.084 40 0 IEABHN COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392982 556964207 /nfs/dbraw/zinc/96/42/07/556964207.db2.gz LMSRNCGXBVDDCT-SFHVURJKSA-N 0 3 449.511 2.084 40 0 IEABHN COCc1ccc(OC)c(CN2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c1 ZINC000072395416 556967218 /nfs/dbraw/zinc/96/72/18/556967218.db2.gz NOBOGHSPGXJJRW-ICPLQIHGSA-N 0 3 429.517 2.378 40 0 IEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106599 557040573 /nfs/dbraw/zinc/04/05/73/557040573.db2.gz CPZWSCXEGGLCMU-QPPBQGQZSA-N 0 3 425.504 2.225 40 0 IEABHN Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)cc1 ZINC000585106741 557040837 /nfs/dbraw/zinc/04/08/37/557040837.db2.gz HAJDXASMFRHZFM-OZXSUGGESA-N 0 3 435.568 2.323 40 0 IEABHN Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4Cc3ccnc(N4CCOCC4)c3)cn2c1 ZINC000585109014 557044432 /nfs/dbraw/zinc/04/44/32/557044432.db2.gz NXCDCPAVZGWGMF-VXKWHMMOSA-N 0 3 446.555 2.250 40 0 IEABHN O=C(NCCc1cccnc1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1 ZINC000096156186 557180859 /nfs/dbraw/zinc/18/08/59/557180859.db2.gz SSGNPLWEFMRIDL-FQEVSTJZSA-N 0 3 427.512 2.481 40 0 IEABHN CCc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243759 557187586 /nfs/dbraw/zinc/18/75/86/557187586.db2.gz ZZQAFMSPQOYOTQ-UYAOXDASSA-N 0 3 428.533 2.224 40 0 IEABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000585272097 557216699 /nfs/dbraw/zinc/21/66/99/557216699.db2.gz IYDUAOBLZFXYCX-NRFANRHFSA-N 0 3 430.545 2.278 40 0 IEABHN CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585272036 557216838 /nfs/dbraw/zinc/21/68/38/557216838.db2.gz IPSYWCPJRJOSPA-DQEYMECFSA-N 0 3 425.573 2.469 40 0 IEABHN COc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272686 557217219 /nfs/dbraw/zinc/21/72/19/557217219.db2.gz LWXALSSGOLFYRW-NRFANRHFSA-N 0 3 430.545 2.278 40 0 IEABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585283582 557223113 /nfs/dbraw/zinc/22/31/13/557223113.db2.gz FEPCDNXJHPQFSM-HKUYNNGSSA-N 0 3 434.886 2.481 40 0 IEABHN COc1ccc(CNC[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)cc1OC ZINC000585284019 557223483 /nfs/dbraw/zinc/22/34/83/557223483.db2.gz DXZXFSADYBBHQV-IRLDBZIGSA-N 0 3 434.920 2.085 40 0 IEABHN CN1CCC(Oc2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000219271897 557235081 /nfs/dbraw/zinc/23/50/81/557235081.db2.gz VDMHDEPLXOXIGD-OAQYLSRUSA-N 0 3 445.541 2.325 40 0 IEABHN COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccccc4C)[C@@H](O)[C@H]3O2)cc1 ZINC000604381188 557236141 /nfs/dbraw/zinc/23/61/41/557236141.db2.gz FKNYXBJJWNIHCD-YQSOIZMPSA-N 0 3 440.540 2.086 40 0 biogenic,in-vitro IEABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000108204973 557338396 /nfs/dbraw/zinc/33/83/96/557338396.db2.gz IZHWGEWXDGHMMI-AWEZNQCLSA-N 0 3 444.395 2.060 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640120 557385005 /nfs/dbraw/zinc/38/50/05/557385005.db2.gz KOXGTAGMXWZOKV-RTBURBONSA-N 0 3 441.919 2.263 40 0 IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccccc1 ZINC000017100280 557488750 /nfs/dbraw/zinc/48/87/50/557488750.db2.gz JDOHYXNJOJZTRX-LEWJYISDSA-N 0 3 436.512 2.224 40 0 IEABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212138 557700846 /nfs/dbraw/zinc/70/08/46/557700846.db2.gz BYPMINHKVLJGJV-INIZCTEOSA-N 0 3 437.562 2.282 40 0 IEABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585270562 568617333 /nfs/dbraw/zinc/61/73/33/568617333.db2.gz ZRGGBZHMPVVRLB-VWLOTQADSA-N 0 3 438.572 2.198 40 0 IEABHN O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271217 568617730 /nfs/dbraw/zinc/61/77/30/568617730.db2.gz UONFVRMLUGWTAT-XMMPIXPASA-N 0 3 442.535 2.343 40 0 IEABHN O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271212 568617782 /nfs/dbraw/zinc/61/77/82/568617782.db2.gz UONFVRMLUGWTAT-DEOSSOPVSA-N 0 3 442.535 2.343 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585287647 568619065 /nfs/dbraw/zinc/61/90/65/568619065.db2.gz PYHIPLQWOLGSKX-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287773 568619533 /nfs/dbraw/zinc/61/95/33/568619533.db2.gz RAIVCLYPSMPJEP-RUZDIDTESA-N 0 3 426.557 2.469 40 0 IEABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)[C@@H]32)cc1 ZINC000257223837 568675982 /nfs/dbraw/zinc/67/59/82/568675982.db2.gz DZCRQMGJWHUXAS-JMUQELJHSA-N 0 3 435.528 2.366 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257319928 568719890 /nfs/dbraw/zinc/71/98/90/568719890.db2.gz VUQIOLXKDGNLEP-OAQYLSRUSA-N 0 3 432.572 2.468 40 0 IEABHN Cc1ocnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257331305 568724999 /nfs/dbraw/zinc/72/49/99/568724999.db2.gz XSHDANGQQFZHNN-HFMPRLQTSA-N 0 3 426.561 2.202 40 0 IEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306135406 568768896 /nfs/dbraw/zinc/76/88/96/568768896.db2.gz OPZZYQAJTFWXKK-IAGOWNOFSA-N 0 3 434.500 2.247 40 0 IEABHN CN1CCn2c(C(=O)NCCc3cccnc3)nnc2C12CCN(Cc1ccccc1)CC2 ZINC000306135507 568768944 /nfs/dbraw/zinc/76/89/44/568768944.db2.gz OTKFPNUHPXTFRW-UHFFFAOYSA-N 0 3 445.571 2.082 40 0 IEABHN O=C(N[C@H]1CSC[C@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372532 569226615 /nfs/dbraw/zinc/22/66/15/569226615.db2.gz QNFKTFHWBYMCQV-MXEMCNAFSA-N 0 3 428.529 2.349 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 ZINC000019692637 569228059 /nfs/dbraw/zinc/22/80/59/569228059.db2.gz HHOLGXCMAGCSMF-FQEVSTJZSA-N 0 3 427.549 2.460 40 0 IEABHN O=C(c1ccncc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699444 569230636 /nfs/dbraw/zinc/23/06/36/569230636.db2.gz HNJJYNRQEMWNLI-UHFFFAOYSA-N 0 3 447.539 2.273 40 0 IEABHN O=C(c1cccnc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699635 569230767 /nfs/dbraw/zinc/23/07/67/569230767.db2.gz JIYALLSYDYCQJM-NRFANRHFSA-N 0 3 447.539 2.273 40 0 IEABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)N3CCOCC3)n(C)n2)cc1 ZINC000008635369 291334894 /nfs/dbraw/zinc/33/48/94/291334894.db2.gz MADYDRQOURSWCF-ZVDOUQERSA-N 0 3 439.560 2.315 40 0 biogenic,in-vitro IEABHN CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000012162935 519545120 /nfs/dbraw/zinc/54/51/20/519545120.db2.gz RKGBEDJZRZNOIE-GRWTVWFQSA-N 0 3 432.540 2.404 40 0 IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674673 521092317 /nfs/dbraw/zinc/09/23/17/521092317.db2.gz FXLXXRLTQAYOKT-LEWJYISDSA-N 0 3 438.503 2.350 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674670 521280573 /nfs/dbraw/zinc/28/05/73/521280573.db2.gz FXLXXRLTQAYOKT-NHCUHLMSSA-N 0 3 438.503 2.350 40 0 IEABHN Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C ZINC000012087637 556400890 /nfs/dbraw/zinc/40/08/90/556400890.db2.gz WFGXRENLENWDCU-UHFFFAOYSA-N 0 3 436.564 2.057 40 0 IEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1I ZINC000013612656 556535062 /nfs/dbraw/zinc/53/50/62/556535062.db2.gz GAFLYHWVTVDWJN-UHFFFAOYSA-N 0 3 438.331 2.454 40 0 IEABHN CN(C)CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000013673946 556553571 /nfs/dbraw/zinc/55/35/71/556553571.db2.gz UZLKNSWXBNNBRB-UHFFFAOYSA-N 0 3 440.363 2.322 40 0 IEABHN Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)on1 ZINC000257330949 556705948 /nfs/dbraw/zinc/70/59/48/556705948.db2.gz XQSZATUWWPMBNR-HFMPRLQTSA-N 0 3 426.561 2.202 40 0 IEABHN CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1ccnc1C ZINC000257343936 556717147 /nfs/dbraw/zinc/71/71/47/556717147.db2.gz ZUZUGDNEBRIMGI-XMMPIXPASA-N 0 3 445.567 2.355 40 0 IEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257304004 556717880 /nfs/dbraw/zinc/71/78/80/556717880.db2.gz SJRLFUOQQHALIH-JOCHJYFZSA-N 0 3 437.540 2.372 40 0 IEABHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499914 556771743 /nfs/dbraw/zinc/77/17/43/556771743.db2.gz PUJXXFUBRSZFKN-VGOFRKELSA-N 0 3 436.560 2.315 40 0 IEABHN Cc1nn(C)cc1CN1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019583926 556821379 /nfs/dbraw/zinc/82/13/79/556821379.db2.gz FTGNLFVZIXJKOJ-WOJBJXKFSA-N 0 3 425.581 2.249 40 0 IEABHN COCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019593208 556829322 /nfs/dbraw/zinc/82/93/22/556829322.db2.gz YDBUHSQCRPOUTK-KRWDZBQOSA-N 0 3 428.508 2.210 40 0 IEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 ZINC000019711379 556875785 /nfs/dbraw/zinc/87/57/85/556875785.db2.gz WXJUMGPHWWCDHP-UHFFFAOYSA-N 0 3 429.590 2.258 40 0 IEABHN COCCn1c2nc(C3CCN(Cc4ccc(OC)cc4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743251 556887641 /nfs/dbraw/zinc/88/76/41/556887641.db2.gz GVDLSEDSTVAUHV-UHFFFAOYSA-N 0 3 438.528 2.130 40 0 IEABHN COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)nc21 ZINC000019743581 556888261 /nfs/dbraw/zinc/88/82/61/556888261.db2.gz MNONEYYAQDULAD-QGZVFWFLSA-N 0 3 426.492 2.260 40 0 IEABHN O=C(Cn1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1 ZINC000019750117 556894374 /nfs/dbraw/zinc/89/43/74/556894374.db2.gz GSUJTYOFROMCFU-UHFFFAOYSA-N 0 3 426.492 2.327 40 0 IEABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)c1 ZINC000072346136 556917453 /nfs/dbraw/zinc/91/74/53/556917453.db2.gz MJTZVCWNDQYDDH-LJQANCHMSA-N 0 3 436.560 2.407 40 0 IEABHN COc1ccc(CN(C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(N)=O)cc2)cc1OC ZINC000072370201 556933903 /nfs/dbraw/zinc/93/39/03/556933903.db2.gz VRFWAPDYIBWYGA-RTWAWAEBSA-N 0 3 425.529 2.383 40 0 IEABHN Cc1cnccc1C[NH+]1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccnc2)CC3)CC1 ZINC000072398755 556970783 /nfs/dbraw/zinc/97/07/83/556970783.db2.gz OGSWPZHRIVGOHZ-UHFFFAOYSA-N 0 3 444.539 2.446 40 0 IEABHN O=C(C[C@@H]1C=CCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000072398891 556971048 /nfs/dbraw/zinc/97/10/48/556971048.db2.gz KLGVZCLRDHWJCB-QGZVFWFLSA-N 0 3 426.561 2.369 40 0 IEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106600 557040474 /nfs/dbraw/zinc/04/04/74/557040474.db2.gz CPZWSCXEGGLCMU-URXFXBBRSA-N 0 3 425.504 2.225 40 0 IEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107022 557041393 /nfs/dbraw/zinc/04/13/93/557041393.db2.gz OJZIKLNMDMVCCO-WIOPSUGQSA-N 0 3 439.531 2.153 40 0 IEABHN CN1CCN(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000022933941 557051603 /nfs/dbraw/zinc/05/16/03/557051603.db2.gz UUEZSABQAWYFNS-QHCPKHFHSA-N 0 3 442.585 2.421 40 0 IEABHN COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cccnc4)CC3)O2)c1 ZINC000096036645 557163809 /nfs/dbraw/zinc/16/38/09/557163809.db2.gz ULGWLYALDQKDHH-JOCHJYFZSA-N 0 3 447.539 2.493 40 0 IEABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1CCOCC1)CCC2 ZINC000096056096 557166901 /nfs/dbraw/zinc/16/69/01/557166901.db2.gz ANIXOSLICPUJMD-YKSBVNFPSA-N 0 3 429.561 2.420 40 0 IEABHN Cc1noc(C)c1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145918 557175990 /nfs/dbraw/zinc/17/59/90/557175990.db2.gz MQOFJWRGFKXZIC-PMACEKPBSA-N 0 3 448.589 2.269 40 0 IEABHN CN1CCC(Oc2ccc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000096234481 557185293 /nfs/dbraw/zinc/18/52/93/557185293.db2.gz MSPLIWFHDWCAMF-UHFFFAOYSA-N 0 3 431.558 2.242 40 0 IEABHN Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251458 557188556 /nfs/dbraw/zinc/18/85/56/557188556.db2.gz CTMCHYZGGDBPCM-YKSBVNFPSA-N 0 3 439.560 2.202 40 0 IEABHN CCCCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306421 557195792 /nfs/dbraw/zinc/19/57/92/557195792.db2.gz QZLKWFPOMPMMDH-UHFFFAOYSA-N 0 3 438.576 2.368 40 0 IEABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000585262439 557201822 /nfs/dbraw/zinc/20/18/22/557201822.db2.gz KGOMDKCJKLTKEC-HTDNTCHWSA-N 0 3 438.503 2.220 40 0 IEABHN COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 ZINC000585269632 557212241 /nfs/dbraw/zinc/21/22/41/557212241.db2.gz DPGDEQJMBMSFFG-XMMPIXPASA-N 0 3 430.545 2.144 40 0 IEABHN COc1cc(CN2CCC[C@@]2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1 ZINC000585273452 557215968 /nfs/dbraw/zinc/21/59/68/557215968.db2.gz OKWRUBIBRIKSJE-DEOSSOPVSA-N 0 3 433.593 2.269 40 0 IEABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274214 557218508 /nfs/dbraw/zinc/21/85/08/557218508.db2.gz UQWLBXQOIKGVQV-XMMPIXPASA-N 0 3 444.551 2.005 40 0 IEABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274211 557218567 /nfs/dbraw/zinc/21/85/67/557218567.db2.gz UQWLBXQOIKGVQV-DEOSSOPVSA-N 0 3 444.551 2.005 40 0 IEABHN O[C@H]1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585281858 557220074 /nfs/dbraw/zinc/22/00/74/557220074.db2.gz CVSFTGMGHJVVLK-UPVQGACJSA-N 0 3 448.510 2.173 40 0 IEABHN Cc1cc(OC[C@@]2(O)CN(Cc3cccc(OCCN(C)C)c3)CC[C@@H]2O)ccc1F ZINC000585281828 557220155 /nfs/dbraw/zinc/22/01/55/557220155.db2.gz BQUITADESDDQEF-ZEQRLZLVSA-N 0 3 432.536 2.451 40 0 IEABHN Cc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585284146 557221303 /nfs/dbraw/zinc/22/13/03/557221303.db2.gz VHWHNPPWRLXARL-ZCYQVOJMSA-N 0 3 444.547 2.342 40 0 IEABHN COc1cc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc(OC)c1 ZINC000585286347 557225208 /nfs/dbraw/zinc/22/52/08/557225208.db2.gz ZDSXOFHAURURLE-UNMCSNQZSA-N 0 3 434.920 2.085 40 0 IEABHN CN(CC1(c2ccccc2)CCCC1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290923 557228359 /nfs/dbraw/zinc/22/83/59/557228359.db2.gz HHCGRCLXARPDOZ-VWNXMTODSA-N 0 3 444.597 2.227 40 0 IEABHN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000223188329 557443148 /nfs/dbraw/zinc/44/31/48/557443148.db2.gz FOWGSXVHEIWWOY-UHFFFAOYSA-N 0 3 447.557 2.427 40 0 IEABHN Cc1ccc(CN(CC(=O)NCCCN2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000224176835 557571059 /nfs/dbraw/zinc/57/10/59/557571059.db2.gz UCJCUDQDJVCPRM-UHFFFAOYSA-N 0 3 429.586 2.321 40 0 IEABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc1 ZINC000224250735 557581221 /nfs/dbraw/zinc/58/12/21/557581221.db2.gz BRBPFQYCVRTZID-UHFFFAOYSA-N 0 3 425.938 2.465 40 0 IEABHN CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257282554 568703347 /nfs/dbraw/zinc/70/33/47/568703347.db2.gz OUFLYLBALJIUPJ-XMMPIXPASA-N 0 3 438.576 2.266 40 0 IEABHN NC(=O)c1cnn2c1nccc2[C@H]1CCCN1C(=O)COc1ccc(CN2CCCC2)cc1 ZINC000257288829 568706156 /nfs/dbraw/zinc/70/61/56/568706156.db2.gz PVWTTWOUVHVZHP-HXUWFJFHSA-N 0 3 448.527 2.167 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257319927 568719879 /nfs/dbraw/zinc/71/98/79/568719879.db2.gz VUQIOLXKDGNLEP-NRFANRHFSA-N 0 3 432.572 2.468 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cccc(Cl)c3)C2)cs1 ZINC000306123367 568762812 /nfs/dbraw/zinc/76/28/12/568762812.db2.gz ALFXJEOIJNIDMF-OAQYLSRUSA-N 0 3 443.960 2.419 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccc(Cl)cc3)C2)cs1 ZINC000306125039 568763686 /nfs/dbraw/zinc/76/36/86/568763686.db2.gz CFJDUXRZTMZBBK-OAQYLSRUSA-N 0 3 443.960 2.419 40 0 IEABHN COc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 ZINC000306128973 568765428 /nfs/dbraw/zinc/76/54/28/568765428.db2.gz HPWCNQFQONIFFW-XMMPIXPASA-N 0 3 436.487 2.049 40 0 IEABHN Cc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306130511 568766060 /nfs/dbraw/zinc/76/60/60/568766060.db2.gz JIRNUIOUBWMRII-QFIPXVFZSA-N 0 3 426.517 2.411 40 0 IEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306135407 568769010 /nfs/dbraw/zinc/76/90/10/568769010.db2.gz OPZZYQAJTFWXKK-IRXDYDNUSA-N 0 3 434.500 2.247 40 0 IEABHN O=C1C[C@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100227727 568791547 /nfs/dbraw/zinc/79/15/47/568791547.db2.gz QXPAJEDHDJWFNJ-IBGZPJMESA-N 0 3 447.944 2.415 40 0 IEABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426096 568865484 /nfs/dbraw/zinc/86/54/84/568865484.db2.gz MMPUDUGMLMZRFZ-GOSISDBHSA-N 0 3 439.603 2.145 40 0 IEABHN O=C(c1ccncc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699336 569230479 /nfs/dbraw/zinc/23/04/79/569230479.db2.gz SBJSILPBZIUZHO-NRFANRHFSA-N 0 3 447.539 2.273 40 0 IEABHN O=C(C1CCC1)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699852 569230885 /nfs/dbraw/zinc/23/08/85/569230885.db2.gz IIYDCDOSWLZRCF-OAQYLSRUSA-N 0 3 438.572 2.407 40 0 IEABHN Cc1nc([C@@H]2CCCN(Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O ZINC000019763691 569237985 /nfs/dbraw/zinc/23/79/85/569237985.db2.gz MJRAIGICJVGDGA-LJQANCHMSA-N 0 3 437.544 2.265 40 0 IEABHN CCOc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O ZINC000012275576 520699719 /nfs/dbraw/zinc/69/97/19/520699719.db2.gz JHLQYFXDYHIAOP-KRWDZBQOSA-N 0 3 438.532 2.262 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674676 521279872 /nfs/dbraw/zinc/27/98/72/521279872.db2.gz FXLXXRLTQAYOKT-RTWAWAEBSA-N 0 3 438.503 2.350 40 0 IEABHN O=C1N[C@H]2c3c(I)sc(I)c3C(=O)C2O1 ZINC000005847544 556067634 /nfs/dbraw/zinc/06/76/34/556067634.db2.gz UWDMOILRXVLKCY-UCORVYFPSA-N 0 3 446.991 2.303 40 0 IEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC ZINC000408710146 556116935 /nfs/dbraw/zinc/11/69/35/556116935.db2.gz QDMWLJVHTLIBMK-GOSISDBHSA-N 0 3 438.528 2.164 40 0 IEABHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1CN1CCCCC1 ZINC000031524937 556524110 /nfs/dbraw/zinc/52/41/10/556524110.db2.gz XWIAPTYRVFPCQN-UHFFFAOYSA-N 0 3 427.526 2.133 40 0 IEABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257207395 556702044 /nfs/dbraw/zinc/70/20/44/556702044.db2.gz BHNZCISRLCTLSJ-XMMPIXPASA-N 0 3 441.551 2.018 40 0 IEABHN O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 ZINC000257339741 556706975 /nfs/dbraw/zinc/70/69/75/556706975.db2.gz ZCZRBLVCUHNDGZ-XMMPIXPASA-N 0 3 439.560 2.103 40 0 IEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257274109 556714025 /nfs/dbraw/zinc/71/40/25/556714025.db2.gz NJPNKVHXEQJGDC-XMMPIXPASA-N 0 3 436.560 2.490 40 0 IEABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]c(=O)c3C2)CC1 ZINC000019495969 556768836 /nfs/dbraw/zinc/76/88/36/556768836.db2.gz HJKOHZLEYWHRHS-AQFXKWCLSA-N 0 3 437.610 2.105 40 0 IEABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]c(=O)c3C2)CC1 ZINC000019495969 556768838 /nfs/dbraw/zinc/76/88/38/556768838.db2.gz HJKOHZLEYWHRHS-AQFXKWCLSA-N 0 3 437.610 2.105 40 0 IEABHN CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522877 556780214 /nfs/dbraw/zinc/78/02/14/556780214.db2.gz VDXBRRIOVOGLFH-SFHVURJKSA-N 0 3 430.574 2.030 40 0 IEABHN CCc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522877 556780217 /nfs/dbraw/zinc/78/02/17/556780217.db2.gz VDXBRRIOVOGLFH-SFHVURJKSA-N 0 3 430.574 2.030 40 0 IEABHN COc1ccccc1C1(O)CCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 ZINC000019569262 556809422 /nfs/dbraw/zinc/80/94/22/556809422.db2.gz IYZONFARVDWUQB-UHFFFAOYSA-N 0 3 440.540 2.416 40 0 IEABHN CN1CCN(c2nccc(CN3CCC[C@H]3c3nnc(Cc4ccc(F)cc4)[nH]3)n2)CC1 ZINC000019590154 556824969 /nfs/dbraw/zinc/82/49/69/556824969.db2.gz KGMHPGICAKYTDJ-FQEVSTJZSA-N 0 3 436.539 2.414 40 0 IEABHN CN1CCN(c2nccc(CN3CCC[C@H]3c3n[nH]c(Cc4ccc(F)cc4)n3)n2)CC1 ZINC000019590154 556824973 /nfs/dbraw/zinc/82/49/73/556824973.db2.gz KGMHPGICAKYTDJ-FQEVSTJZSA-N 0 3 436.539 2.414 40 0 IEABHN CNC(=O)[C@@H]1CN(Cc2cccc(OC)c2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591947 556827921 /nfs/dbraw/zinc/82/79/21/556827921.db2.gz RULNJEPCXBEDTB-QZTJIDSGSA-N 0 3 425.533 2.056 40 0 IEABHN COCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019593206 556829418 /nfs/dbraw/zinc/82/94/18/556829418.db2.gz HSJIKIQBOOFLHJ-KRWDZBQOSA-N 0 3 428.508 2.210 40 0 IEABHN COCCOc1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)ccc1OC ZINC000019593621 556829847 /nfs/dbraw/zinc/82/98/47/556829847.db2.gz UVOMCOFYEWXHDU-GOSISDBHSA-N 0 3 439.520 2.076 40 0 IEABHN COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019593761 556830041 /nfs/dbraw/zinc/83/00/41/556830041.db2.gz PYGNJLCBCBEQEY-UHFFFAOYSA-N 0 3 428.533 2.005 40 0 IEABHN COCCOc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019593761 556830043 /nfs/dbraw/zinc/83/00/43/556830043.db2.gz PYGNJLCBCBEQEY-UHFFFAOYSA-N 0 3 428.533 2.005 40 0 IEABHN CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CN3CCCCCC3)n2)CC1=O ZINC000019697409 556854499 /nfs/dbraw/zinc/85/44/99/556854499.db2.gz WPQJRPUFUKHVSD-SFHVURJKSA-N 0 3 430.597 2.101 40 0 IEABHN O=C(c1cnc(N2CCOCC2)nc1CCNCc1ccnc2ccccc12)N1CCCC1 ZINC000019697754 556855545 /nfs/dbraw/zinc/85/55/45/556855545.db2.gz MBXUQGLTENOWIF-UHFFFAOYSA-N 0 3 446.555 2.430 40 0 IEABHN O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000019699647 556859432 /nfs/dbraw/zinc/85/94/32/556859432.db2.gz HHCYRDDPUWHSRI-FQEVSTJZSA-N 0 3 436.560 2.003 40 0 IEABHN CC[C@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701060 556860952 /nfs/dbraw/zinc/86/09/52/556860952.db2.gz DMDNNLHHQRCVAP-IBGZPJMESA-N 0 3 436.560 2.138 40 0 IEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000019710491 556873478 /nfs/dbraw/zinc/87/34/78/556873478.db2.gz KTHQSHFZHMHDEN-UHFFFAOYSA-N 0 3 431.562 2.083 40 0 IEABHN CC[C@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1)N1CCCC1 ZINC000019710957 556875135 /nfs/dbraw/zinc/87/51/35/556875135.db2.gz LEUAEDMUZSMBGD-HXUWFJFHSA-N 0 3 428.581 2.003 40 0 IEABHN COCCn1c2nc([C@H]3CCCN(Cc4ccc(OC)cc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743589 556888217 /nfs/dbraw/zinc/88/82/17/556888217.db2.gz JHWKDWBWYDICTA-SFHVURJKSA-N 0 3 438.528 2.130 40 0 IEABHN COc1cccc(CN2C[C@H](C(=O)N(C)C)[C@@]3(C2)CCc2ccc(OC)cc2C(=O)N3)c1 ZINC000072334372 556906911 /nfs/dbraw/zinc/90/69/11/556906911.db2.gz KPZSPOLZFQWXKS-RDGATRHJSA-N 0 3 437.540 2.339 40 0 IEABHN Cc1cc2c(cc1CN1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C ZINC000019763058 556908031 /nfs/dbraw/zinc/90/80/31/556908031.db2.gz MTCQRYADHFQNLA-KRWDZBQOSA-N 0 3 436.560 2.365 40 0 IEABHN COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392983 556964444 /nfs/dbraw/zinc/96/44/44/556964444.db2.gz LMSRNCGXBVDDCT-GOSISDBHSA-N 0 3 449.511 2.084 40 0 IEABHN COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392983 556964448 /nfs/dbraw/zinc/96/44/48/556964448.db2.gz LMSRNCGXBVDDCT-GOSISDBHSA-N 0 3 449.511 2.084 40 0 IEABHN O=C(NC1CC2(C1)CCN(Cc1ccc(-n3ccnc3)cc1)CC2)[C@@H]1CCCS1(=O)=O ZINC000585102760 557036890 /nfs/dbraw/zinc/03/68/90/557036890.db2.gz DZFXNSNKKQAPHU-NRFANRHFSA-N 0 3 442.585 2.310 40 0 IEABHN Cn1cnc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)n1 ZINC000585106363 557039831 /nfs/dbraw/zinc/03/98/31/557039831.db2.gz CNHUCGNODPEQAH-UHFFFAOYSA-N 0 3 447.543 2.298 40 0 IEABHN CN1CCN(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000022933945 557051593 /nfs/dbraw/zinc/05/15/93/557051593.db2.gz UUEZSABQAWYFNS-HSZRJFAPSA-N 0 3 442.585 2.421 40 0 IEABHN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022933927 557051670 /nfs/dbraw/zinc/05/16/70/557051670.db2.gz BEEZDGFJETZPOE-UHFFFAOYSA-N 0 3 444.601 2.187 40 0 IEABHN Cn1cc(CN2C[C@@H]3CN(C(=O)c4cccs4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096083086 557168628 /nfs/dbraw/zinc/16/86/28/557168628.db2.gz ICONDUPKPLCORW-XXBNENTESA-N 0 3 441.601 2.362 40 0 IEABHN CCc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243760 557187627 /nfs/dbraw/zinc/18/76/27/557187627.db2.gz ZZQAFMSPQOYOTQ-QUCCMNQESA-N 0 3 428.533 2.224 40 0 IEABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000585271417 557214581 /nfs/dbraw/zinc/21/45/81/557214581.db2.gz FQASGTIIDMMYGA-NRFANRHFSA-N 0 3 430.545 2.278 40 0 IEABHN CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210870 557341107 /nfs/dbraw/zinc/34/11/07/557341107.db2.gz VYFYCKXSHDIEAJ-UHFFFAOYSA-N 0 3 425.352 2.074 40 0 IEABHN COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269947 568616705 /nfs/dbraw/zinc/61/67/05/568616705.db2.gz QWTWSALFFQAFQO-RUZDIDTESA-N 0 3 444.572 2.152 40 0 IEABHN O=C1NCCN1CCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585270612 568617055 /nfs/dbraw/zinc/61/70/55/568617055.db2.gz ADXMFSWFQQZEFX-DEOSSOPVSA-N 0 3 425.529 2.497 40 0 IEABHN COc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585288272 568619384 /nfs/dbraw/zinc/61/93/84/568619384.db2.gz ZVDYTYYOJXICKA-VWLOTQADSA-N 0 3 442.556 2.169 40 0 IEABHN CC(=O)N[C@]12CN(C(=O)c3ccc(-n4cccn4)nc3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257200895 568665416 /nfs/dbraw/zinc/66/54/16/568665416.db2.gz AFHBHDRGMCRUGL-GZGNHOFSSA-N 0 3 444.539 2.291 40 0 IEABHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@@H]21 ZINC000257212542 568671118 /nfs/dbraw/zinc/67/11/18/568671118.db2.gz CDXPIWNZGUAZCS-ZSRRYNJHSA-N 0 3 429.561 2.393 40 0 IEABHN CN1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257212837 568671161 /nfs/dbraw/zinc/67/11/61/568671161.db2.gz CFDRDRPGGLOFNO-QGZVFWFLSA-N 0 3 444.539 2.449 40 0 IEABHN CN1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257212836 568671182 /nfs/dbraw/zinc/67/11/82/568671182.db2.gz CFDRDRPGGLOFNO-KRWDZBQOSA-N 0 3 444.539 2.449 40 0 IEABHN O[C@@]1(Cn2cccn2)CN(Cc2ccccc2)CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257225221 568676779 /nfs/dbraw/zinc/67/67/79/568676779.db2.gz FFIVOPGZBCCYHU-VWLOTQADSA-N 0 3 447.587 2.022 40 0 IEABHN CN1CC[NH+]([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)[O-])CC[C@@H]2O)CC1 ZINC000257232672 568680430 /nfs/dbraw/zinc/68/04/30/568680430.db2.gz GLWYYESCSVNUGS-SFTDATJTSA-N 0 3 433.593 2.020 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccc(Cl)cc3)C2)cs1 ZINC000306125038 568763810 /nfs/dbraw/zinc/76/38/10/568763810.db2.gz CFJDUXRZTMZBBK-NRFANRHFSA-N 0 3 443.960 2.419 40 0 IEABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010735 568809249 /nfs/dbraw/zinc/80/92/49/568809249.db2.gz MAVJADRHLFHDDL-MRXNPFEDSA-N 0 3 425.455 2.450 40 0 IEABHN CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773665 568909194 /nfs/dbraw/zinc/90/91/94/568909194.db2.gz CXNPNFWYIHIFCA-FCHUYYIVSA-N 0 3 439.556 2.102 40 0 IEABHN O=C(N[C@@H]1CSC[C@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372537 569226550 /nfs/dbraw/zinc/22/65/50/569226550.db2.gz QNFKTFHWBYMCQV-XRXFAXGQSA-N 0 3 428.529 2.349 40 0 IEABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497859 569226813 /nfs/dbraw/zinc/22/68/13/569226813.db2.gz HLSNKMNTXWKVML-ZHRRBRCNSA-N 0 3 449.617 2.201 40 0 IEABHN CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699959 569231020 /nfs/dbraw/zinc/23/10/20/569231020.db2.gz ROXLPMNXYWIVKT-FQEVSTJZSA-N 0 3 426.561 2.407 40 0 IEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)n1 ZINC000019709556 569234725 /nfs/dbraw/zinc/23/47/25/569234725.db2.gz CUBWOWJIKPBQMM-SFHVURJKSA-N 0 3 428.556 2.239 40 0 IEABHN CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3ccc(F)c(F)c3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283808 291336497 /nfs/dbraw/zinc/33/64/97/291336497.db2.gz ZTYXOYCGBZCSRS-AERCQKQUSA-N 0 3 441.496 2.039 40 0 biogenic,in-vitro IEABHN CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 ZINC000012162941 519546668 /nfs/dbraw/zinc/54/66/68/519546668.db2.gz RKGBEDJZRZNOIE-CGYQNGNCSA-N 0 3 432.540 2.404 40 0 IEABHN O=C1N[C@H]2c3c(I)sc(I)c3C(=O)C2O1 ZINC000005847550 556067641 /nfs/dbraw/zinc/06/76/41/556067641.db2.gz UWDMOILRXVLKCY-WVZVXSGGSA-N 0 3 446.991 2.303 40 0 IEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 ZINC000408710032 556116506 /nfs/dbraw/zinc/11/65/06/556116506.db2.gz MCVQXXAQTQDOPF-GOSISDBHSA-N 0 3 438.528 2.164 40 0 IEABHN CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@](O)(c5ccc(F)cc5)[C@@H]4C3)n2)CC1 ZINC000036719131 556309661 /nfs/dbraw/zinc/30/96/61/556309661.db2.gz UCOUXTFXVNJXJE-ANJVHQHFSA-N 0 3 425.552 2.487 40 0 IEABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000072345342 556609697 /nfs/dbraw/zinc/60/96/97/556609697.db2.gz WILDIILMECNOTF-HLAWJBBLSA-N 0 3 438.572 2.263 40 0 IEABHN CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Cn2ccnc2C)c1 ZINC000257200405 556700958 /nfs/dbraw/zinc/70/09/58/556700958.db2.gz ADDUCESBPXBJSP-DEOSSOPVSA-N 0 3 445.567 2.355 40 0 IEABHN CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCc4nccn4C)cc3)[C@@H]2C[C@@]1(C)O ZINC000257244251 556710769 /nfs/dbraw/zinc/71/07/69/556710769.db2.gz IKNDHQZXCQCBSB-GBEXAXCTSA-N 0 3 442.560 2.008 40 0 IEABHN CN1CCC(Cc2ccccc2F)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257260279 556712256 /nfs/dbraw/zinc/71/22/56/556712256.db2.gz LCDBAHIJHLDRRA-XMMPIXPASA-N 0 3 441.551 2.018 40 0 IEABHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499916 556771797 /nfs/dbraw/zinc/77/17/97/556771797.db2.gz PUJXXFUBRSZFKN-VGSWGCGISA-N 0 3 436.560 2.315 40 0 IEABHN CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531978 556792342 /nfs/dbraw/zinc/79/23/42/556792342.db2.gz JHXPUTRDRVCNBH-GOSISDBHSA-N 0 3 428.533 2.393 40 0 IEABHN CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531978 556792344 /nfs/dbraw/zinc/79/23/44/556792344.db2.gz JHXPUTRDRVCNBH-GOSISDBHSA-N 0 3 428.533 2.393 40 0 IEABHN CN(C)c1ncc2c(cc(C3CCN(C(=O)CCN(C)Cc4cccnc4)CC3)[nH]c2=O)n1 ZINC000019585706 556822945 /nfs/dbraw/zinc/82/29/45/556822945.db2.gz YXZSKIDJXJMHBU-UHFFFAOYSA-N 0 3 449.559 2.420 40 0 IEABHN COc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1OC ZINC000019590250 556825363 /nfs/dbraw/zinc/82/53/63/556825363.db2.gz ZFJJUQXVBOKMNT-INIZCTEOSA-N 0 3 426.517 2.136 40 0 IEABHN COc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1OC ZINC000019590250 556825364 /nfs/dbraw/zinc/82/53/64/556825364.db2.gz ZFJJUQXVBOKMNT-INIZCTEOSA-N 0 3 426.517 2.136 40 0 IEABHN COCCNC(=O)[C@@H]1CN(Cc2ccccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593508 556829802 /nfs/dbraw/zinc/82/98/02/556829802.db2.gz SJIQEWYQGITAIR-WOJBJXKFSA-N 0 3 439.560 2.064 40 0 IEABHN C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@@H](NCCC[NH+](C)C)C(=O)[O-])CCCC1 ZINC000065090370 556832424 /nfs/dbraw/zinc/83/24/24/556832424.db2.gz GCYBDHBZLYISHM-QGZVFWFLSA-N 0 3 441.594 2.125 40 0 IEABHN CN(C)CCOc1cccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000019708133 556868136 /nfs/dbraw/zinc/86/81/36/556868136.db2.gz LYVNOIJGRINDBP-UHFFFAOYSA-N 0 3 446.573 2.413 40 0 IEABHN O=C(CN1CCCC1)N1CCC(Cc2ncncc2C(=O)NCc2ccccc2F)CC1 ZINC000019752195 556896114 /nfs/dbraw/zinc/89/61/14/556896114.db2.gz FDQVOWPYFHTFGK-UHFFFAOYSA-N 0 3 439.535 2.423 40 0 IEABHN Cc1cc2c(cc1CN1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C ZINC000019763056 556907729 /nfs/dbraw/zinc/90/77/29/556907729.db2.gz MTCQRYADHFQNLA-QGZVFWFLSA-N 0 3 436.560 2.365 40 0 IEABHN NC(=O)C1CCN(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)CC1 ZINC000072393504 556964771 /nfs/dbraw/zinc/96/47/71/556964771.db2.gz MASYKHQKAITLDA-UHFFFAOYSA-N 0 3 444.595 2.415 40 0 IEABHN C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000072394921 556966178 /nfs/dbraw/zinc/96/61/78/556966178.db2.gz XVGAMVDAZYBJSP-AEFFLSMTSA-N 0 3 429.492 2.061 40 0 IEABHN Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)cc1 ZINC000585106739 557040804 /nfs/dbraw/zinc/04/08/04/557040804.db2.gz HAJDXASMFRHZFM-BVAGGSTKSA-N 0 3 435.568 2.323 40 0 IEABHN Cc1cc(C)cc(C(=O)N2CC[C@@]3(C2)CCc2nnc(C(=O)NCCN(C)C)n2CC3)c1 ZINC000585106804 557041051 /nfs/dbraw/zinc/04/10/51/557041051.db2.gz SKLFOKDKRDSPPO-DEOSSOPVSA-N 0 3 438.576 2.055 40 0 IEABHN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1 ZINC000585112121 557044558 /nfs/dbraw/zinc/04/45/58/557044558.db2.gz LROJDCNSRLBHHM-QFIPXVFZSA-N 0 3 432.528 2.472 40 0 IEABHN COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(C2CCCCC2)CC1 ZINC000022928881 557049353 /nfs/dbraw/zinc/04/93/53/557049353.db2.gz IRAKABVEIGFNHF-QFIPXVFZSA-N 0 3 444.580 2.376 40 0 IEABHN CN1CCN(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022934826 557052073 /nfs/dbraw/zinc/05/20/73/557052073.db2.gz DYLLMGYWVKKITB-UHFFFAOYSA-N 0 3 444.601 2.020 40 0 IEABHN CN1CCN(CCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022935101 557052471 /nfs/dbraw/zinc/05/24/71/557052471.db2.gz XLHXZBVRRBXZRA-UHFFFAOYSA-N 0 3 444.601 2.020 40 0 IEABHN Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC000096090879 557168847 /nfs/dbraw/zinc/16/88/47/557168847.db2.gz UFKQIDZZLYSFHN-RDGATRHJSA-N 0 3 437.588 2.480 40 0 IEABHN CN(C)CCN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145914 557176072 /nfs/dbraw/zinc/17/60/72/557176072.db2.gz LHVMEBFPOQTUHG-PMACEKPBSA-N 0 3 430.574 2.060 40 0 IEABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000096242223 557185923 /nfs/dbraw/zinc/18/59/23/557185923.db2.gz SEDMIRPKHUZIKS-LJQANCHMSA-N 0 3 428.577 2.028 40 0 IEABHN Cc1occc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251457 557188592 /nfs/dbraw/zinc/18/85/92/557188592.db2.gz XSPVKBVEVGGETL-YKSBVNFPSA-N 0 3 439.560 2.202 40 0 IEABHN CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000585261760 557196680 /nfs/dbraw/zinc/19/66/80/557196680.db2.gz HWDPIFAVOSCZQB-RUZDIDTESA-N 0 3 439.531 2.356 40 0 IEABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000585272100 557216743 /nfs/dbraw/zinc/21/67/43/557216743.db2.gz IYDUAOBLZFXYCX-OAQYLSRUSA-N 0 3 430.545 2.278 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286894 557225582 /nfs/dbraw/zinc/22/55/82/557225582.db2.gz JWQGOHJVPOCUCJ-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287197 557225959 /nfs/dbraw/zinc/22/59/59/557225959.db2.gz KWULLHISOFUOMA-DEOSSOPVSA-N 0 3 430.520 2.299 40 0 IEABHN COc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1OC ZINC000585289109 557226555 /nfs/dbraw/zinc/22/65/55/557226555.db2.gz DVSPSFMDZYHEIW-UNMCSNQZSA-N 0 3 434.920 2.085 40 0 IEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000013640126 557384988 /nfs/dbraw/zinc/38/49/88/557384988.db2.gz KOXGTAGMXWZOKV-MOPGFXCFSA-N 0 3 441.919 2.263 40 0 IEABHN CC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270823 568617245 /nfs/dbraw/zinc/61/72/45/568617245.db2.gz DFICNJNXGARAMF-VWLOTQADSA-N 0 3 441.572 2.101 40 0 IEABHN Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC[C@@H]1O ZINC000257206150 568667907 /nfs/dbraw/zinc/66/79/07/568667907.db2.gz BCBQZZMICKIWRZ-PMACEKPBSA-N 0 3 449.559 2.233 40 0 IEABHN C[C@H](N)C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 ZINC000257214181 568671721 /nfs/dbraw/zinc/67/17/21/568671721.db2.gz CKXMBUNYPVMHLI-FPZPBXSISA-N 0 3 438.609 2.378 40 0 IEABHN CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257234724 568681377 /nfs/dbraw/zinc/68/13/77/568681377.db2.gz GUVZOFHXVQGHHK-HXUWFJFHSA-N 0 3 432.572 2.468 40 0 IEABHN O=C(CN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257239611 568683455 /nfs/dbraw/zinc/68/34/55/568683455.db2.gz HQCNLHVCIQOVNM-VDKIKQQVSA-N 0 3 429.605 2.162 40 0 IEABHN CN(C)CCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc43)C2)c1 ZINC000257247092 568687065 /nfs/dbraw/zinc/68/70/65/568687065.db2.gz IXJWAUWMSOKNJX-RUZDIDTESA-N 0 3 449.555 2.284 40 0 IEABHN Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)no1 ZINC000257290271 568706728 /nfs/dbraw/zinc/70/67/28/568706728.db2.gz QCFRKCXWJBFSBS-FIXSFTCYSA-N 0 3 426.561 2.202 40 0 IEABHN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000257320211 568720012 /nfs/dbraw/zinc/72/00/12/568720012.db2.gz VVUAYNORCODSMQ-XMMPIXPASA-N 0 3 439.560 2.055 40 0 IEABHN CCc1nccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257339163 568728223 /nfs/dbraw/zinc/72/82/23/568728223.db2.gz ZALBTNMKLZEQLF-WRALFONMSA-N 0 3 440.588 2.135 40 0 IEABHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@@H]3N2CC2CC2)cc1 ZINC000306128998 568765514 /nfs/dbraw/zinc/76/55/14/568765514.db2.gz HQWJXWTVGAQMKF-COPCDDAFSA-N 0 3 426.561 2.358 40 0 IEABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccccc3Cl)C2)cs1 ZINC000306129678 568765831 /nfs/dbraw/zinc/76/58/31/568765831.db2.gz IJHDCWPQRLDMRN-OAQYLSRUSA-N 0 3 443.960 2.419 40 0 IEABHN CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 ZINC000248150811 569207281 /nfs/dbraw/zinc/20/72/81/569207281.db2.gz UCOUXTFXVNJXJE-OEOAZWSVSA-N 0 3 425.552 2.487 40 0 IEABHN Cc1nnsc1C(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000019702237 569231773 /nfs/dbraw/zinc/23/17/73/569231773.db2.gz BIWVRFRJEBUQHG-ZDUSSCGKSA-N 0 3 444.586 2.377 40 0 IEABHN Cc1nnsc1C(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000019702236 569231806 /nfs/dbraw/zinc/23/18/06/569231806.db2.gz BIWVRFRJEBUQHG-CYBMUJFWSA-N 0 3 444.586 2.377 40 0 IEABHN O=C(CS(=O)(=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 ZINC000077301715 569293404 /nfs/dbraw/zinc/29/34/04/569293404.db2.gz XJYKZWIKCBSALL-DJWKRKHSSA-N 0 3 447.557 2.327 40 0 in-vitro IEABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)CCCNc2ncnc3ccccc32)[C@H]1c1ccccc1 ZINC000585262201 569582943 /nfs/dbraw/zinc/58/29/43/569582943.db2.gz LNTQMTVJXCQDLM-GIWBLDEGSA-N 0 3 446.555 2.580 40 0 IEABHN Cn1cc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)cn1 ZINC000096113514 291333101 /nfs/dbraw/zinc/33/31/01/291333101.db2.gz HGOKVEHXQISPML-YLJYHZDGSA-N 0 3 433.503 2.122 40 0 biogenic,in-vitro IEABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccco1 ZINC000006198579 193892170 /nfs/dbraw/zinc/89/21/70/193892170.db2.gz TZOFBSUZUPJEAN-UHFFFAOYSA-N 0 3 428.514 2.288 40 0 IEABHN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1)N1CCCC1 ZINC000035311614 527279346 /nfs/dbraw/zinc/27/93/46/527279346.db2.gz XPDWBFNIHZRZCW-UHFFFAOYSA-N 0 3 441.619 2.110 40 0 IEABHN CC(C)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNC(C)C)cc2)cc1 ZINC000001580998 555704161 /nfs/dbraw/zinc/70/41/61/555704161.db2.gz GSFHVBVBBLUMGE-UHFFFAOYSA-N 0 3 446.573 2.392 40 0 IEABHN COc1ccc(N([C@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000013680791 556556766 /nfs/dbraw/zinc/55/67/66/556556766.db2.gz GNIUZCHEANDQSR-OAHLLOKOSA-N 0 3 431.986 2.495 40 0 IEABHN O[C@H]1[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)OC[C@@H]1NCc1ccccn1 ZINC000514289058 556625522 /nfs/dbraw/zinc/62/55/22/556625522.db2.gz PLKLJDNAOXENBO-PCCBWWKXSA-N 0 3 436.478 2.141 40 0 biogenic,in-vitro IEABHN O=C1CCCN1CCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257219031 556700694 /nfs/dbraw/zinc/70/06/94/556700694.db2.gz DFIOAEKPNJPKEX-SFTDATJTSA-N 0 3 437.531 2.354 40 0 IEABHN COCCOc1cc(CN2C[C@@H](O)[C@H](N(C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000257213474 556702722 /nfs/dbraw/zinc/70/27/22/556702722.db2.gz CHSMXPKHMBZUJB-FGZHOGPDSA-N 0 3 430.545 2.406 40 0 IEABHN COc1ccc(CN(C)[C@H]2CN(Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)cc1 ZINC000257336322 556706300 /nfs/dbraw/zinc/70/63/00/556706300.db2.gz YNXSGRVSOYZWSO-DQEYMECFSA-N 0 3 425.573 2.205 40 0 IEABHN O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 ZINC000257339740 556707013 /nfs/dbraw/zinc/70/70/13/556707013.db2.gz ZCZRBLVCUHNDGZ-DEOSSOPVSA-N 0 3 439.560 2.103 40 0 IEABHN CN1CCN([C@H]2CC[C@](CNC(=O)[C@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232604 556709430 /nfs/dbraw/zinc/70/94/30/556709430.db2.gz GLPLWFNQUTZSIN-IVIIFCHOSA-N 0 3 429.605 2.018 40 0 IEABHN Cc1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cn1 ZINC000257239415 556710380 /nfs/dbraw/zinc/71/03/80/556710380.db2.gz HPDNMDWZKXDWBP-LSQMVHIFSA-N 0 3 437.588 2.004 40 0 IEABHN OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(CC3=CCCOC3)C2)n1 ZINC000019404123 556754257 /nfs/dbraw/zinc/75/42/57/556754257.db2.gz IWUNBMUDSHSYRP-HXUWFJFHSA-N 0 3 438.576 2.459 40 0 IEABHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019448429 556757943 /nfs/dbraw/zinc/75/79/43/556757943.db2.gz XBNRFFQUUJGMLB-LJQANCHMSA-N 0 3 432.546 2.071 40 0 IEABHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019448429 556757944 /nfs/dbraw/zinc/75/79/44/556757944.db2.gz XBNRFFQUUJGMLB-LJQANCHMSA-N 0 3 432.546 2.071 40 0 IEABHN CN1CCN(c2nccc(CN3CCC4(CC3)Nc3ccccc3C3=NCCCN34)n2)CC1 ZINC000019590150 556824844 /nfs/dbraw/zinc/82/48/44/556824844.db2.gz QLJHUWDPZUPKFC-UHFFFAOYSA-N 0 3 446.603 2.099 40 0 IEABHN COCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019593205 556829491 /nfs/dbraw/zinc/82/94/91/556829491.db2.gz HSJIKIQBOOFLHJ-QGZVFWFLSA-N 0 3 428.508 2.210 40 0 IEABHN COc1ccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)C2)cc1 ZINC000019699835 556859596 /nfs/dbraw/zinc/85/95/96/556859596.db2.gz OEVHMCBWAHGUPR-SFHVURJKSA-N 0 3 428.533 2.095 40 0 IEABHN O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)N1CCN(C2CCCC2)CC1 ZINC000019751394 556895451 /nfs/dbraw/zinc/89/54/51/556895451.db2.gz LHAMGNHNMWUZJF-UHFFFAOYSA-N 0 3 440.519 2.004 40 0 IEABHN Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CN(CC(C)(C)CN2CCOCC2)CC4)no1 ZINC000072337118 556909822 /nfs/dbraw/zinc/90/98/22/556909822.db2.gz BKCUHSWIVXDCLL-UHFFFAOYSA-N 0 3 426.521 2.115 40 0 IEABHN COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393139 556964278 /nfs/dbraw/zinc/96/42/78/556964278.db2.gz AGXUJLJYYUXGNZ-GOSISDBHSA-N 0 3 449.511 2.084 40 0 IEABHN COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393139 556964281 /nfs/dbraw/zinc/96/42/81/556964281.db2.gz AGXUJLJYYUXGNZ-GOSISDBHSA-N 0 3 449.511 2.084 40 0 IEABHN COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccncc4)CC3)O2)cc1 ZINC000096036702 557163747 /nfs/dbraw/zinc/16/37/47/557163747.db2.gz VZDZKIJZFUHZLB-JOCHJYFZSA-N 0 3 447.539 2.493 40 0 IEABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000096143578 557170495 /nfs/dbraw/zinc/17/04/95/557170495.db2.gz BSDMCARPEBZXEI-XZOQPEGZSA-N 0 3 447.583 2.389 40 0 IEABHN CC(C)CCN1Cc2c(C(=O)N3CC[C@@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147518 557177323 /nfs/dbraw/zinc/17/73/23/557177323.db2.gz XIZGTPKCINPFMJ-QGZVFWFLSA-N 0 3 445.589 2.199 40 0 IEABHN Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251310 557188229 /nfs/dbraw/zinc/18/82/29/557188229.db2.gz NQPXUFRPPLOYHY-GCJKJVERSA-N 0 3 429.590 2.233 40 0 IEABHN CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000585261762 557196654 /nfs/dbraw/zinc/19/66/54/557196654.db2.gz HWDPIFAVOSCZQB-VWLOTQADSA-N 0 3 439.531 2.356 40 0 IEABHN Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)cc1 ZINC000585287179 557225920 /nfs/dbraw/zinc/22/59/20/557225920.db2.gz KFXIGUHYOXEZRL-RUZDIDTESA-N 0 3 426.557 2.469 40 0 IEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1C ZINC000219141626 557227572 /nfs/dbraw/zinc/22/75/72/557227572.db2.gz OFDCYCKZKCFBEO-UHFFFAOYSA-N 0 3 431.558 2.409 40 0 IEABHN OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 ZINC000585287516 557227705 /nfs/dbraw/zinc/22/77/05/557227705.db2.gz NOCZGYIWIGQHPO-DEOSSOPVSA-N 0 3 448.510 2.438 40 0 IEABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000585291470 557228968 /nfs/dbraw/zinc/22/89/68/557228968.db2.gz QFLHBVBBUWEHRO-CTNGQTDRSA-N 0 3 436.961 2.105 40 0 IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000013640128 557384852 /nfs/dbraw/zinc/38/48/52/557384852.db2.gz KOXGTAGMXWZOKV-OALUTQOASA-N 0 3 441.919 2.263 40 0 IEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000013640123 557384871 /nfs/dbraw/zinc/38/48/71/557384871.db2.gz KOXGTAGMXWZOKV-RBUKOAKNSA-N 0 3 441.919 2.263 40 0 IEABHN COCCn1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(C2CCCCC2)CC1 ZINC000019594038 557506328 /nfs/dbraw/zinc/50/63/28/557506328.db2.gz HYGFDBAFMHUPCE-OAQYLSRUSA-N 0 3 444.580 2.376 40 0 IEABHN O=C1NCCN1CCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585270614 568617202 /nfs/dbraw/zinc/61/72/02/568617202.db2.gz ADXMFSWFQQZEFX-XMMPIXPASA-N 0 3 425.529 2.497 40 0 IEABHN O[C@@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274733 568618468 /nfs/dbraw/zinc/61/84/68/568618468.db2.gz ZUKKDSNWLJLQMC-JOCHJYFZSA-N 0 3 439.547 2.066 40 0 IEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287783 568619438 /nfs/dbraw/zinc/61/94/38/568619438.db2.gz RMXNEBCVJRXQRO-XMMPIXPASA-N 0 3 448.510 2.438 40 0 IEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 ZINC000257202689 568666415 /nfs/dbraw/zinc/66/64/15/568666415.db2.gz AMWNPZJKXPSSET-XMMPIXPASA-N 0 3 441.551 2.318 40 0 IEABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)CCC(N)=O)CC1 ZINC000257202505 568666430 /nfs/dbraw/zinc/66/64/30/568666430.db2.gz AMDPXIAGZJOCJC-GNRVTEMESA-N 0 3 449.567 2.215 40 0 IEABHN O[C@]1(Cn2cccn2)CN(Cc2ccccc2)CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257225220 568676822 /nfs/dbraw/zinc/67/68/22/568676822.db2.gz FFIVOPGZBCCYHU-RUZDIDTESA-N 0 3 447.587 2.022 40 0 IEABHN Cc1[nH]ncc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257283102 568703521 /nfs/dbraw/zinc/70/35/21/568703521.db2.gz OWTLEINPDVCJDM-QFIPXVFZSA-N 0 3 448.951 2.270 40 0 IEABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000257306643 568714048 /nfs/dbraw/zinc/71/40/48/568714048.db2.gz SVEAJGYIROAODI-VJBWXMMDSA-N 0 3 435.572 2.051 40 0 IEABHN Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000257320406 568720119 /nfs/dbraw/zinc/72/01/19/568720119.db2.gz VWQSUMNBQHMARK-HSZRJFAPSA-N 0 3 439.491 2.337 40 0 IEABHN COc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 ZINC000306128972 568765467 /nfs/dbraw/zinc/76/54/67/568765467.db2.gz HPWCNQFQONIFFW-DEOSSOPVSA-N 0 3 436.487 2.049 40 0 IEABHN O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129954 568765998 /nfs/dbraw/zinc/76/59/98/568765998.db2.gz ISGBEDFNZSJXKA-RCZVLFRGSA-N 0 3 447.539 2.447 40 0 IEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306141624 568772164 /nfs/dbraw/zinc/77/21/64/568772164.db2.gz WCEGGZIDLLWJSN-RTBURBONSA-N 0 3 431.496 2.241 40 0 IEABHN O=C(C1CCC1)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699321 569230403 /nfs/dbraw/zinc/23/04/03/569230403.db2.gz ZJQJUOWHHWHHRO-UHFFFAOYSA-N 0 3 438.572 2.407 40 0 IEABHN CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699958 569231007 /nfs/dbraw/zinc/23/10/07/569231007.db2.gz ROXLPMNXYWIVKT-HXUWFJFHSA-N 0 3 426.561 2.407 40 0 IEABHN CCN(CC)CC(=O)N1CCO[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703121 569232761 /nfs/dbraw/zinc/23/27/61/569232761.db2.gz VNKRFQUKRHLDQC-QGZVFWFLSA-N 0 3 446.573 2.010 40 0 IEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)n1 ZINC000019709555 569234758 /nfs/dbraw/zinc/23/47/58/569234758.db2.gz CUBWOWJIKPBQMM-GOSISDBHSA-N 0 3 428.556 2.239 40 0 IEABHN