smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164392239 718826105 /nfs/dbraw/zinc/82/61/05/718826105.db2.gz ZNJJRLPXHDXFJB-OALUTQOASA-N 1 0 430.886 4.062 20 0 IIADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413568 718881732 /nfs/dbraw/zinc/88/17/32/718881732.db2.gz JVTSRBFZGDHLRN-LBPRGKRZSA-N 1 0 442.816 4.025 20 0 IIADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(Cl)nn1 ZINC001164428874 718947460 /nfs/dbraw/zinc/94/74/60/718947460.db2.gz LLSBVGSVHMPPPG-FXAWDEMLSA-N 1 0 442.897 4.426 20 0 IIADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164429858 718955635 /nfs/dbraw/zinc/95/56/35/718955635.db2.gz QDEWDSLSWGKWHF-OAQYLSRUSA-N 1 0 442.003 4.467 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164619647 719007512 /nfs/dbraw/zinc/00/75/12/719007512.db2.gz WNHWOXYWJKZUIA-AUUYWEPGSA-N 1 0 448.341 4.083 20 0 IIADRO Clc1nc2c(c(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164628308 719044950 /nfs/dbraw/zinc/04/49/50/719044950.db2.gz XYLHAISYJZIGIY-ATIYNZHBSA-N 1 0 445.998 4.229 20 0 IIADRO O=C(c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCCC1 ZINC001164629075 719065182 /nfs/dbraw/zinc/06/51/82/719065182.db2.gz VJEJHWKAPLABLB-RBBKRZOGSA-N 1 0 439.003 4.462 20 0 IIADRO c1ccc(CN2CCc3c(ncnc3N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001164627182 719074314 /nfs/dbraw/zinc/07/43/14/719074314.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 1 0 439.607 4.136 20 0 IIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623327 719114451 /nfs/dbraw/zinc/11/44/51/719114451.db2.gz CMJJMTRBORUMOV-HZPDHXFCSA-N 1 0 449.958 4.471 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccccc43)CC2)c2ccccc21 ZINC001164681453 719659723 /nfs/dbraw/zinc/65/97/23/719659723.db2.gz PMQNGXIIKGENOX-QFIPXVFZSA-N 1 0 442.607 4.328 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164681122 719666227 /nfs/dbraw/zinc/66/62/27/719666227.db2.gz JWXQMSDXMCBUEQ-QFIPXVFZSA-N 1 0 446.639 4.054 20 0 IIADRO Cc1cc2c(ccnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC001164685513 719679198 /nfs/dbraw/zinc/67/91/98/719679198.db2.gz VEVSQJMVGJWXOS-HXUWFJFHSA-N 1 0 446.595 4.230 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(C4CC4)n3)CC2)c2ccccc21 ZINC001164685705 719682797 /nfs/dbraw/zinc/68/27/97/719682797.db2.gz LUYLHGSMMOIUKY-NRFANRHFSA-N 1 0 432.612 4.052 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164694488 719807400 /nfs/dbraw/zinc/80/74/00/719807400.db2.gz YWZWFEKZLDSGGS-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCC[C@@H](C)C4)ncn2)CC3)cs1 ZINC001164693930 719815278 /nfs/dbraw/zinc/81/52/78/719815278.db2.gz ZIQKVJGACAAQPE-GOSISDBHSA-N 1 0 426.634 4.113 20 0 IIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699781 719886698 /nfs/dbraw/zinc/88/66/98/719886698.db2.gz ILCYEEBAHSBNIB-UHFFFAOYSA-N 1 0 449.354 4.261 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694874 719886959 /nfs/dbraw/zinc/88/69/59/719886959.db2.gz GEERFDNTAHWDIK-UHFFFAOYSA-N 1 0 449.354 4.261 20 0 IIADRO Fc1cc2ncc(Cl)nc2cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707736 719899538 /nfs/dbraw/zinc/89/95/38/719899538.db2.gz WXHDUWSTYLOFHU-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805916 720090491 /nfs/dbraw/zinc/09/04/91/720090491.db2.gz APZNGFKXVAVDEL-LIRRHRJNSA-N 1 0 442.963 4.074 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164814904 720114244 /nfs/dbraw/zinc/11/42/44/720114244.db2.gz TYKNDWBAFXDWIX-SDWUMEBZSA-N 1 0 426.630 4.001 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813365 720128311 /nfs/dbraw/zinc/12/83/11/720128311.db2.gz QHROBNRWEOZTNI-KXBFYZLASA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164712744 720148493 /nfs/dbraw/zinc/14/84/93/720148493.db2.gz OVJWCHOTZATORC-HXUWFJFHSA-N 1 0 437.613 4.211 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164713614 720149181 /nfs/dbraw/zinc/14/91/81/720149181.db2.gz SVVNOBQIDMZDPC-QHCPKHFHSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164713039 720151790 /nfs/dbraw/zinc/15/17/90/720151790.db2.gz PEWMNZYLZJLCSU-NRFANRHFSA-N 1 0 435.597 4.108 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164712657 720153019 /nfs/dbraw/zinc/15/30/19/720153019.db2.gz NYPNWSCKAHNWNN-JOCHJYFZSA-N 1 0 431.584 4.149 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817475 720154121 /nfs/dbraw/zinc/15/41/21/720154121.db2.gz PNWJYUYZHFYTIM-PXDATVDWSA-N 1 0 442.003 4.499 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818452 720180100 /nfs/dbraw/zinc/18/01/00/720180100.db2.gz SVCGEMYDMDQKFP-WZONZLPQSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817120 720180675 /nfs/dbraw/zinc/18/06/75/720180675.db2.gz OAQWYJMGXGXGHI-HXOBKFHXSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811488 720197807 /nfs/dbraw/zinc/19/78/07/720197807.db2.gz IKTAFYUZCJDZSD-UZUQRXQVSA-N 1 0 446.954 4.246 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164726213 720317114 /nfs/dbraw/zinc/31/71/14/720317114.db2.gz YNYHKSRXWWECCQ-FYYLOGMGSA-N 1 0 438.620 4.036 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827268 720329804 /nfs/dbraw/zinc/32/98/04/720329804.db2.gz HIZRTGYPMBYXPT-DLBZAZTESA-N 1 0 433.021 4.170 20 0 IIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729621 720478841 /nfs/dbraw/zinc/47/88/41/720478841.db2.gz SAIAXVPHNQNLFP-UXHICEINSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1 ZINC001164729344 720513172 /nfs/dbraw/zinc/51/31/72/720513172.db2.gz MNZWZVHAGSQZLY-ZDUSSCGKSA-N 1 0 440.325 4.481 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1 ZINC001164732121 720529860 /nfs/dbraw/zinc/52/98/60/720529860.db2.gz CKHOYWKAFTZHRP-HNNXBMFYSA-N 1 0 449.908 4.481 20 0 IIADRO CC(C)(C)N([C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734022 720547948 /nfs/dbraw/zinc/54/79/48/720547948.db2.gz FZHUEOAJEYJYOV-UWJYYQICSA-N 1 0 448.970 4.441 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]21 ZINC001164835929 720598567 /nfs/dbraw/zinc/59/85/67/720598567.db2.gz CSSQZMDAHCOGSB-SGNDLWITSA-N 1 0 431.584 4.235 20 0 IIADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835935 720621872 /nfs/dbraw/zinc/62/18/72/720621872.db2.gz CWNWXKOUFUMRRD-GIFXNVAJSA-N 1 0 430.600 4.280 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(SCc4ccccc4)ncn3)CC[C@@H]21 ZINC001164836313 720628570 /nfs/dbraw/zinc/62/85/70/720628570.db2.gz FSJDLUSKVCZZTL-VJBWXMMDSA-N 1 0 448.640 4.343 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843193 720657018 /nfs/dbraw/zinc/65/70/18/720657018.db2.gz UVHVRVMIJGEXIS-IBGZPJMESA-N 1 0 443.975 4.172 20 0 IIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843297 720671828 /nfs/dbraw/zinc/67/18/28/720671828.db2.gz VYCDBVOGFFYBLK-GOSISDBHSA-N 1 0 436.934 4.243 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164842385 720707985 /nfs/dbraw/zinc/70/79/85/720707985.db2.gz YYYCCNAIHUKMSY-SFHVURJKSA-N 1 0 436.934 4.122 20 0 IIADRO O=C1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844795 720762598 /nfs/dbraw/zinc/76/25/98/720762598.db2.gz CZAFQADCCDOMMB-FTJBHMTQSA-N 1 0 438.575 4.414 20 0 IIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740001 720840193 /nfs/dbraw/zinc/84/01/93/720840193.db2.gz BKVSGGKUNIDVQK-TUNNFDKTSA-N 1 0 436.991 4.168 20 0 IIADRO c1ccc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164752931 720877895 /nfs/dbraw/zinc/87/78/95/720877895.db2.gz NNAIDNHPDQCQSL-BDYUSTAISA-N 1 0 428.580 4.385 20 0 IIADRO Fc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750768 720878988 /nfs/dbraw/zinc/87/89/88/720878988.db2.gz JRSMLOHDQPCTQP-XXBNENTESA-N 1 0 430.955 4.024 20 0 IIADRO c1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164751740 720882304 /nfs/dbraw/zinc/88/23/04/720882304.db2.gz DDXGVQRQKSVTFP-RDGATRHJSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755090 720886516 /nfs/dbraw/zinc/88/65/16/720886516.db2.gz KQCSTJGOIUOLBP-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO Cc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755984 720892762 /nfs/dbraw/zinc/89/27/62/720892762.db2.gz NXQKZYPXEMXCSW-RPLLCQBOSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)Oc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758170 720894712 /nfs/dbraw/zinc/89/47/12/720894712.db2.gz XIXDLPKQRPNPPD-ZEQKJWHPSA-N 1 0 436.600 4.019 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@H]2C ZINC001164862482 721012857 /nfs/dbraw/zinc/01/28/57/721012857.db2.gz QOKWUQDDKDWVST-INIZCTEOSA-N 1 0 449.584 4.478 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767612 721097691 /nfs/dbraw/zinc/09/76/91/721097691.db2.gz MNZJSPYKMDALAS-PMACEKPBSA-N 1 0 430.581 4.050 20 0 IIADRO c1cc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cs1 ZINC001164877031 721148951 /nfs/dbraw/zinc/14/89/51/721148951.db2.gz OARNFTGJGGXRFV-RTWAWAEBSA-N 1 0 443.576 4.233 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761645 721155250 /nfs/dbraw/zinc/15/52/50/721155250.db2.gz ABXQCZPRFOXSDD-ROUUACIJSA-N 1 0 431.918 4.125 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878939 721159294 /nfs/dbraw/zinc/15/92/94/721159294.db2.gz RAGJHKMQJVXUGX-DHIUTWEWSA-N 1 0 432.593 4.249 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872175 721166605 /nfs/dbraw/zinc/16/66/05/721166605.db2.gz GRWOIPVGPGEUBH-SFTDATJTSA-N 1 0 449.986 4.289 20 0 IIADRO Clc1ccc2ccc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880446 721181000 /nfs/dbraw/zinc/18/10/00/721181000.db2.gz WRWJLQXFKQCNCA-MSOLQXFVSA-N 1 0 429.351 4.416 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767633 721184034 /nfs/dbraw/zinc/18/40/34/721184034.db2.gz KFYMIQPOUHCFSN-SFTDATJTSA-N 1 0 437.975 4.006 20 0 IIADRO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1 ZINC001164773896 721192646 /nfs/dbraw/zinc/19/26/46/721192646.db2.gz XXYATHIGIWJLAV-PKTZIBPZSA-N 1 0 438.579 4.297 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC001164871690 721221702 /nfs/dbraw/zinc/22/17/02/721221702.db2.gz KOGPSVRZULJNKV-HSZRJFAPSA-N 1 0 435.616 4.289 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760720 721249494 /nfs/dbraw/zinc/24/94/94/721249494.db2.gz GHZKTCHNSIYOFA-IRXDYDNUSA-N 1 0 447.917 4.232 20 0 IIADRO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770565 721292962 /nfs/dbraw/zinc/29/29/62/721292962.db2.gz UGLXSVUIGRKRIO-UHFFFAOYSA-N 1 0 448.087 4.319 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776587 721338395 /nfs/dbraw/zinc/33/83/95/721338395.db2.gz GQDVQZNAYXBDIU-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO O=C1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884685 721355092 /nfs/dbraw/zinc/35/50/92/721355092.db2.gz WGJCKXQCOUIKOX-DHIUTWEWSA-N 1 0 430.577 4.086 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164787342 721442418 /nfs/dbraw/zinc/44/24/18/721442418.db2.gz WVEUBPYTLBWXBL-RPWUZVMVSA-N 1 0 446.599 4.078 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164787640 721447934 /nfs/dbraw/zinc/44/79/34/721447934.db2.gz OXTDITHVXQSLIC-IBGZPJMESA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164789841 721458533 /nfs/dbraw/zinc/45/85/33/721458533.db2.gz XQTGDLHHEWMUDO-HXUWFJFHSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164790643 721467874 /nfs/dbraw/zinc/46/78/74/721467874.db2.gz SZTIOEAFRFJKKI-QFIPXVFZSA-N 1 0 427.564 4.108 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793923 721475599 /nfs/dbraw/zinc/47/55/99/721475599.db2.gz ZYOOYNNHMYDQOW-HSZRJFAPSA-N 1 0 446.603 4.028 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164792125 721491843 /nfs/dbraw/zinc/49/18/43/721491843.db2.gz GTUNDZOVPVCMTO-UHFFFAOYSA-N 1 0 438.576 4.100 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164796688 721500816 /nfs/dbraw/zinc/50/08/16/721500816.db2.gz VIACNXICUVGADY-UHFFFAOYSA-N 1 0 447.961 4.440 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@@H+]3C2)c1 ZINC001164903836 721531748 /nfs/dbraw/zinc/53/17/48/721531748.db2.gz DGTIDJIBRGKHEY-QUCCMNQESA-N 1 0 429.499 4.106 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164808931 721541260 /nfs/dbraw/zinc/54/12/60/721541260.db2.gz SMPISOXJTQOLAA-LSWJPFSZSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@H]12 ZINC001164802632 721590938 /nfs/dbraw/zinc/59/09/38/721590938.db2.gz HKZUCHLLXXFUET-BOCKYXSRSA-N 1 0 444.913 4.430 20 0 IIADRO FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905357 721691843 /nfs/dbraw/zinc/69/18/43/721691843.db2.gz IRNIENGUWPBDGY-QHCPKHFHSA-N 1 0 437.494 4.402 20 0 IIADRO C[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007486 721692315 /nfs/dbraw/zinc/69/23/15/721692315.db2.gz CMJXSRMMFFZXKU-ICPLQIHGSA-N 1 0 428.964 4.263 20 0 IIADRO FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907116 721694397 /nfs/dbraw/zinc/69/43/97/721694397.db2.gz SFLKNROZKOAYMU-QHCPKHFHSA-N 1 0 437.494 4.402 20 0 IIADRO FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906244 721701886 /nfs/dbraw/zinc/70/18/86/721701886.db2.gz MPGYUOSLOWPPES-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906534 721708088 /nfs/dbraw/zinc/70/80/88/721708088.db2.gz MPAZTMFHAXRPBU-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906924 721723444 /nfs/dbraw/zinc/72/34/44/721723444.db2.gz PAFJXMOEXXKVGX-QFIPXVFZSA-N 1 0 441.551 4.313 20 0 IIADRO FC1(F)CCN(c2cc(-c3cccs3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911169 721726939 /nfs/dbraw/zinc/72/69/39/721726939.db2.gz IKHYRDUMEWUOQN-OAQYLSRUSA-N 1 0 427.524 4.338 20 0 IIADRO Cc1csc2nc(C)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909822 721730167 /nfs/dbraw/zinc/73/01/67/721730167.db2.gz DUWZAPZLGHYJAJ-NRFANRHFSA-N 1 0 429.540 4.441 20 0 IIADRO FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911807 721732734 /nfs/dbraw/zinc/73/27/34/721732734.db2.gz KLFXEIUEZHIRGC-OAQYLSRUSA-N 1 0 427.524 4.338 20 0 IIADRO CSc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913842 721735028 /nfs/dbraw/zinc/73/50/28/721735028.db2.gz YVWQRXYGUSMBBF-QFIPXVFZSA-N 1 0 441.551 4.484 20 0 IIADRO COCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccccc2)n1 ZINC001165027321 721802547 /nfs/dbraw/zinc/80/25/47/721802547.db2.gz VLIXZNKCKKUIMZ-TUSQITKMSA-N 1 0 443.595 4.422 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165025904 721808803 /nfs/dbraw/zinc/80/88/03/721808803.db2.gz ODYNQTNVCMHZNJ-OYDLWJJNSA-N 1 0 430.552 4.153 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028973 721817996 /nfs/dbraw/zinc/81/79/96/721817996.db2.gz YIAYOUMWDYXRMN-APTRMMRNSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001165025309 721820290 /nfs/dbraw/zinc/82/02/90/721820290.db2.gz MGLAVWMUJJLESZ-FVQBIDKESA-N 1 0 439.963 4.096 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]21 ZINC001165026318 721822568 /nfs/dbraw/zinc/82/25/68/721822568.db2.gz OUISPOFZCRGSMW-QFZWGZQFSA-N 1 0 442.611 4.362 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)s1 ZINC001165027479 721828443 /nfs/dbraw/zinc/82/84/43/721828443.db2.gz SEBZAALRQMKDEM-VCOUNFBDSA-N 1 0 434.613 4.349 20 0 IIADRO CCOC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1Cl ZINC001165019283 721838635 /nfs/dbraw/zinc/83/86/35/721838635.db2.gz CBVPQAFHXODJHG-UHFFFAOYSA-N 1 0 447.963 4.030 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1 ZINC001164925022 721840641 /nfs/dbraw/zinc/84/06/41/721840641.db2.gz ZRJFQFREFKBCOO-GGBSJPMNSA-N 1 0 436.600 4.083 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(Cl)ccnc3n2)CC1 ZINC001165022658 721842106 /nfs/dbraw/zinc/84/21/06/721842106.db2.gz RFUNCMUTPYUOHW-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccncc3)nc(C)c2C)CC1 ZINC001165031216 721844259 /nfs/dbraw/zinc/84/42/59/721844259.db2.gz YJZJWIOGSVBTGY-UHFFFAOYSA-N 1 0 447.583 4.273 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001165031177 721845007 /nfs/dbraw/zinc/84/50/07/721845007.db2.gz WUYFBVYYGAJQPA-UHFFFAOYSA-N 1 0 449.530 4.368 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927150 721855997 /nfs/dbraw/zinc/85/59/97/721855997.db2.gz JNZGMEMPSNQWST-VXKWHMMOSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164928060 721860129 /nfs/dbraw/zinc/86/01/29/721860129.db2.gz NAYVDDSADKBGNK-ROUUACIJSA-N 1 0 429.342 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929254 721879052 /nfs/dbraw/zinc/87/90/52/721879052.db2.gz AWAVGJCEEBSSQJ-RTBURBONSA-N 1 0 428.005 4.226 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929526 721879569 /nfs/dbraw/zinc/87/95/69/721879569.db2.gz BQHDMIHJEDBOCX-DLBZAZTESA-N 1 0 439.654 4.123 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164931886 721879750 /nfs/dbraw/zinc/87/97/50/721879750.db2.gz GOTLTZJGPOHCDG-DLBZAZTESA-N 1 0 427.643 4.251 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164933979 721890607 /nfs/dbraw/zinc/89/06/07/721890607.db2.gz NTQBLZGAHCGWJJ-SJORKVTESA-N 1 0 426.964 4.223 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5[nH]c6ccccc6c54)CC3)C2)cc1 ZINC001164938895 721927427 /nfs/dbraw/zinc/92/74/27/721927427.db2.gz ADQGOUVMVSBVGG-UHFFFAOYSA-N 1 0 427.552 4.291 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1Cl ZINC001164952017 722015063 /nfs/dbraw/zinc/01/50/63/722015063.db2.gz GAIWOCSWPRFOJU-UHFFFAOYSA-N 1 0 449.382 4.453 20 0 IIADRO COc1ccc(-c2csc3ncnc(N4CC[NH+](CCc5ccccn5)CC4)c23)cc1 ZINC001165054813 722017270 /nfs/dbraw/zinc/01/72/70/722017270.db2.gz DMKIVFGZRCJMAP-UHFFFAOYSA-N 1 0 431.565 4.127 20 0 IIADRO Clc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961164 722053410 /nfs/dbraw/zinc/05/34/10/722053410.db2.gz TVSLVKBILCDTNR-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO Clc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2ccsc2n1 ZINC001164963229 722054797 /nfs/dbraw/zinc/05/47/97/722054797.db2.gz JDOSEYSFBJPDOT-UHFFFAOYSA-N 1 0 428.989 4.464 20 0 IIADRO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963473 722058638 /nfs/dbraw/zinc/05/86/38/722058638.db2.gz ZMTVWAHRBQFUIA-UHFFFAOYSA-N 1 0 435.616 4.347 20 0 IIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985826 722101463 /nfs/dbraw/zinc/10/14/63/722101463.db2.gz XBMFDKXVGUEJHK-NVXWUHKLSA-N 1 0 443.325 4.056 20 0 IIADRO Cc1cccc(Sc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981783 722135150 /nfs/dbraw/zinc/13/51/50/722135150.db2.gz QLODRBAFNFMXIS-FYYLOGMGSA-N 1 0 447.608 4.059 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971133 722153972 /nfs/dbraw/zinc/15/39/72/722153972.db2.gz ATWXYHDTESNOJM-UNMCSNQZSA-N 1 0 442.007 4.300 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995938 722207745 /nfs/dbraw/zinc/20/77/45/722207745.db2.gz QEPMOLQBYVHOHS-FQRUVTKNSA-N 1 0 436.575 4.338 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997451 722210913 /nfs/dbraw/zinc/21/09/13/722210913.db2.gz QJYWUGKBZCYCFV-AREMUKBSSA-N 1 0 429.543 4.411 20 0 IIADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000466903318 1126094017 /nfs/dbraw/zinc/09/40/17/1126094017.db2.gz SAAXXMQXVBYSEV-JOCHJYFZSA-N 1 0 441.369 4.425 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000480471954 1126095008 /nfs/dbraw/zinc/09/50/08/1126095008.db2.gz QPJQDRWIWJWXDS-IBGZPJMESA-N 1 0 432.337 4.084 20 0 IIADRO CCCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000500227187 1126095270 /nfs/dbraw/zinc/09/52/70/1126095270.db2.gz DUUQNPAIDCFQGV-QGZVFWFLSA-N 1 0 426.326 4.079 20 0 IIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)c2)cc1 ZINC000522536370 1126095922 /nfs/dbraw/zinc/09/59/22/1126095922.db2.gz NSCXYPPVMVIOKU-QFIPXVFZSA-N 1 0 429.520 4.122 20 0 IIADRO Cc1ccc2c(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc(=O)oc2c1C ZINC001171949501 1126148613 /nfs/dbraw/zinc/14/86/13/1126148613.db2.gz UAHRZQUTQIJXIU-HSZRJFAPSA-N 1 0 442.353 4.182 20 0 IIADRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284684 1126153745 /nfs/dbraw/zinc/15/37/45/1126153745.db2.gz KMZVWQSTSIXSST-RDTXWAMCSA-N 1 0 448.279 4.090 20 0 IIADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025625 1126157124 /nfs/dbraw/zinc/15/71/24/1126157124.db2.gz XSCWQMKUYWVEET-QFBILLFUSA-N 1 0 425.392 4.228 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC001308480148 1126167042 /nfs/dbraw/zinc/16/70/42/1126167042.db2.gz TVKHKHLGQAKVPY-NRFANRHFSA-N 1 0 432.337 4.166 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)ccc2Cl)cc1OC ZINC001460869384 1126193018 /nfs/dbraw/zinc/19/30/18/1126193018.db2.gz NXRAAHPOZLVAFP-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC001473838142 1126199054 /nfs/dbraw/zinc/19/90/54/1126199054.db2.gz DCTRYOCRLMHRKQ-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461672213 1126195781 /nfs/dbraw/zinc/19/57/81/1126195781.db2.gz MMUXYLWICHLQDN-GOSISDBHSA-N 1 0 446.311 4.084 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(F)c1Br ZINC001461669920 1126195789 /nfs/dbraw/zinc/19/57/89/1126195789.db2.gz HWNNJTIOFDGHGY-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)ccc1Br ZINC001474225179 1126202764 /nfs/dbraw/zinc/20/27/64/1126202764.db2.gz VYWMOSAVEMJSTF-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc2C1 ZINC001474226773 1126203251 /nfs/dbraw/zinc/20/32/51/1126203251.db2.gz IHZWJASPGSHXLW-QHCPKHFHSA-N 1 0 434.577 4.264 20 0 IIADRO Cc1cc(Br)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001560458633 1126211005 /nfs/dbraw/zinc/21/10/05/1126211005.db2.gz ABDGVFSEEBHDED-OAHLLOKOSA-N 1 0 431.143 4.352 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(Br)c3ccccc3n2C)cc1OC ZINC001621057890 1126245801 /nfs/dbraw/zinc/24/58/01/1126245801.db2.gz WTOPJQMHDYKOFI-QFIPXVFZSA-N 1 0 447.373 4.041 20 0 IIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)nc12 ZINC001164387149 718814389 /nfs/dbraw/zinc/81/43/89/718814389.db2.gz DITIQQGUFHBLLP-AWEZNQCLSA-N 1 0 438.803 4.478 20 0 IIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164414765 718880962 /nfs/dbraw/zinc/88/09/62/718880962.db2.gz WXSSYCWNMGTFLR-AWEZNQCLSA-N 1 0 447.839 4.390 20 0 IIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164414624 718881431 /nfs/dbraw/zinc/88/14/31/718881431.db2.gz VFLCWHDYJFSRAS-AWEZNQCLSA-N 1 0 447.839 4.390 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC[C@H]5[NH2+]C[C@H]54)c23)c1 ZINC001164448273 719000623 /nfs/dbraw/zinc/00/06/23/719000623.db2.gz GRCNPXUUOCNPNJ-IAGOWNOFSA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164619381 719008941 /nfs/dbraw/zinc/00/89/41/719008941.db2.gz VWLRWXXKWFYCQB-LIRRHRJNSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)CC1 ZINC001164613720 719025217 /nfs/dbraw/zinc/02/52/17/719025217.db2.gz AJQBPISADVQYLJ-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625965 719048397 /nfs/dbraw/zinc/04/83/97/719048397.db2.gz QAMHOECOZDHZRT-VGSWGCGISA-N 1 0 441.913 4.320 20 0 IIADRO COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627932 719070356 /nfs/dbraw/zinc/07/03/56/719070356.db2.gz RLQGTJHBMUNMMU-APWZRJJASA-N 1 0 435.902 4.167 20 0 IIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627230 719078868 /nfs/dbraw/zinc/07/88/68/719078868.db2.gz PYQLMVHOEAETIY-IFMALSPDSA-N 1 0 447.583 4.079 20 0 IIADRO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1 ZINC001164627471 719103669 /nfs/dbraw/zinc/10/36/69/719103669.db2.gz KWDIGCNUYCOYAD-YKSBVNFPSA-N 1 0 430.552 4.262 20 0 IIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c2ccccc21 ZINC001164624804 719119391 /nfs/dbraw/zinc/11/93/91/719119391.db2.gz WCPSRBUXTJFRMV-DYVFJYSZSA-N 1 0 449.908 4.347 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC001164650533 719295283 /nfs/dbraw/zinc/29/52/83/719295283.db2.gz IONSTFSVFBIDKI-TWZJLLKVSA-N 1 0 436.600 4.367 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164685687 719614868 /nfs/dbraw/zinc/61/48/68/719614868.db2.gz VNHFSKBSWQKTIE-UHFFFAOYSA-N 1 0 439.778 4.262 20 0 IIADRO Cc1ccc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683409 719656785 /nfs/dbraw/zinc/65/67/85/719656785.db2.gz VIEYUMYGUQBJNI-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4ccccc4cn3)CC2)c2ccccc21 ZINC001164683388 719661794 /nfs/dbraw/zinc/66/17/94/719661794.db2.gz VEGTYAZLEPDFFL-QHCPKHFHSA-N 1 0 442.607 4.328 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C4CC4)ccn3)CC2)c2ccccc21 ZINC001164687001 719671066 /nfs/dbraw/zinc/67/10/66/719671066.db2.gz ZOJIALMNRCDLMH-QFIPXVFZSA-N 1 0 432.612 4.052 20 0 IIADRO FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695317 719888777 /nfs/dbraw/zinc/88/87/77/719888777.db2.gz NDIUNSAKQUGJDH-UHFFFAOYSA-N 1 0 429.920 4.093 20 0 IIADRO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699291 719892842 /nfs/dbraw/zinc/89/28/42/719892842.db2.gz ZCKUWRDSBVLWSM-UHFFFAOYSA-N 1 0 444.988 4.225 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164711613 720094436 /nfs/dbraw/zinc/09/44/36/720094436.db2.gz RRFOVMQOYXEOSK-HSZRJFAPSA-N 1 0 446.595 4.454 20 0 IIADRO CCOc1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719535 720114855 /nfs/dbraw/zinc/11/48/55/720114855.db2.gz YRDKNZYQCJIBQQ-IBGZPJMESA-N 1 0 430.980 4.036 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164718102 720121123 /nfs/dbraw/zinc/12/11/23/720121123.db2.gz RRMCOSLZBSTEPH-HXUWFJFHSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164710528 720132052 /nfs/dbraw/zinc/13/20/52/720132052.db2.gz CBOYVCKTODRTDN-JOCHJYFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164712201 720138557 /nfs/dbraw/zinc/13/85/57/720138557.db2.gz KWFFMNTZPZDWIW-DEOSSOPVSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164713029 720147765 /nfs/dbraw/zinc/14/77/65/720147765.db2.gz PDHNDUHLRXZPSG-NRFANRHFSA-N 1 0 449.624 4.416 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817397 720156773 /nfs/dbraw/zinc/15/67/73/720156773.db2.gz PFSVUSVUNLVYHB-KXBFYZLASA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001164820257 720167640 /nfs/dbraw/zinc/16/76/40/720167640.db2.gz ZWBFKWFDJRPTOE-DVBNTOJCSA-N 1 0 449.643 4.193 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816829 720259958 /nfs/dbraw/zinc/25/99/58/720259958.db2.gz MYHUHLAXBIYAJQ-VSKRKVRLSA-N 1 0 439.629 4.163 20 0 IIADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2cc(Cl)ccc12 ZINC001164827888 720327421 /nfs/dbraw/zinc/32/74/21/720327421.db2.gz IZMOXQZAKSUSBI-VXKWHMMOSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2c(Cl)cccc12 ZINC001164831317 720330714 /nfs/dbraw/zinc/33/07/14/720330714.db2.gz QQVRDTKJDNTULR-SFTDATJTSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2c(Cl)cccc12 ZINC001164831315 720331229 /nfs/dbraw/zinc/33/12/29/720331229.db2.gz QQVRDTKJDNTULR-RTWAWAEBSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001164827500 720350883 /nfs/dbraw/zinc/35/08/83/720350883.db2.gz MJYJCCRYCWEZRC-RBUKOAKNSA-N 1 0 447.410 4.453 20 0 IIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164724713 720375487 /nfs/dbraw/zinc/37/54/87/720375487.db2.gz LCQGAAYNKUIZAR-ZEQRLZLVSA-N 1 0 434.547 4.454 20 0 IIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164727100 720438601 /nfs/dbraw/zinc/43/86/01/720438601.db2.gz DBEZNSIQAUOFAP-DNQXCXABSA-N 1 0 438.579 4.345 20 0 IIADRO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735677 720462277 /nfs/dbraw/zinc/46/22/77/720462277.db2.gz XLIZRUDWJISTLG-RBUKOAKNSA-N 1 0 430.537 4.108 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730213 720466198 /nfs/dbraw/zinc/46/61/98/720466198.db2.gz SVAFRMMDVUXVNU-UIOOFZCWSA-N 1 0 440.595 4.382 20 0 IIADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164834382 720525829 /nfs/dbraw/zinc/52/58/29/720525829.db2.gz FTNMDXVAQHPOLA-SOLBZPMBSA-N 1 0 431.009 4.227 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)C1 ZINC001164734016 720531576 /nfs/dbraw/zinc/53/15/76/720531576.db2.gz FXMXSGPGWUUWNW-MRXNPFEDSA-N 1 0 447.917 4.221 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(Cl)nn2)c1 ZINC001164736527 720535942 /nfs/dbraw/zinc/53/59/42/720535942.db2.gz ZCESWWYOETXNLP-MRXNPFEDSA-N 1 0 446.933 4.045 20 0 IIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164733001 720544530 /nfs/dbraw/zinc/54/45/30/720544530.db2.gz ADUQYQOODDEHMD-CQSZACIVSA-N 1 0 442.913 4.483 20 0 IIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164734053 720545635 /nfs/dbraw/zinc/54/56/35/720545635.db2.gz GTZGCCXQEUNJMD-AWEZNQCLSA-N 1 0 440.922 4.224 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835816 720552594 /nfs/dbraw/zinc/55/25/94/720552594.db2.gz HWPGYCUAMJKFMB-NWSQWKLXSA-N 1 0 433.604 4.121 20 0 IIADRO Cc1nc2sc3c(c2c(N2CCc4ncc(C[NH+]5CCCC5)n4CC2)n1)CCCCC3 ZINC001164736996 720583434 /nfs/dbraw/zinc/58/34/34/720583434.db2.gz XUNBFTOGEYUWMQ-UHFFFAOYSA-N 1 0 436.629 4.124 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3OCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835928 720597236 /nfs/dbraw/zinc/59/72/36/720597236.db2.gz CSSQZMDAHCOGSB-KMDXXIMOSA-N 1 0 431.584 4.235 20 0 IIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164844187 720616013 /nfs/dbraw/zinc/61/60/13/720616013.db2.gz ZSHQOQFHGCBEDY-WRALFONMSA-N 1 0 430.600 4.335 20 0 IIADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164837265 720627830 /nfs/dbraw/zinc/62/78/30/720627830.db2.gz HVZGODCPRSFEIK-GMKZXUHWSA-N 1 0 445.615 4.209 20 0 IIADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841530 720641066 /nfs/dbraw/zinc/64/10/66/720641066.db2.gz SPZNOUGBKFWOID-MIZPHKNDSA-N 1 0 434.563 4.165 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164844230 720658237 /nfs/dbraw/zinc/65/82/37/720658237.db2.gz YUTSXIYLBJTEIC-FQEVSTJZSA-N 1 0 443.975 4.172 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164841759 720672436 /nfs/dbraw/zinc/67/24/36/720672436.db2.gz PVNUPAWRKJDHBC-LJQANCHMSA-N 1 0 426.992 4.269 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164840467 720672925 /nfs/dbraw/zinc/67/29/25/720672925.db2.gz MRBWCOWKLPSQBQ-XMMPIXPASA-N 1 0 444.579 4.316 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841250 720682502 /nfs/dbraw/zinc/68/25/02/720682502.db2.gz IPOICGXYBPDGTE-HSZRJFAPSA-N 1 0 445.563 4.281 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164841840 720690848 /nfs/dbraw/zinc/69/08/48/720690848.db2.gz JGYUBQDTILEQOJ-QFIPXVFZSA-N 1 0 437.584 4.297 20 0 IIADRO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840534 720700437 /nfs/dbraw/zinc/70/04/37/720700437.db2.gz FYYPTCUPVNULOY-LJQANCHMSA-N 1 0 436.531 4.037 20 0 IIADRO CCCN(CCC)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836996 720702449 /nfs/dbraw/zinc/70/24/49/720702449.db2.gz COGYDWJTNFRIFR-HSZRJFAPSA-N 1 0 437.632 4.363 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164842384 720708474 /nfs/dbraw/zinc/70/84/74/720708474.db2.gz YYYCCNAIHUKMSY-GOSISDBHSA-N 1 0 436.934 4.122 20 0 IIADRO COc1ccc(-c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncn2)cc1 ZINC001164838369 720714435 /nfs/dbraw/zinc/71/44/35/720714435.db2.gz IHROSEVKOBSUOL-HSZRJFAPSA-N 1 0 444.579 4.412 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842306 720715038 /nfs/dbraw/zinc/71/50/38/720715038.db2.gz YCKKNPKBUSUZOR-JOCHJYFZSA-N 1 0 445.563 4.281 20 0 IIADRO COc1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(C)nc2c1 ZINC001164841638 720717509 /nfs/dbraw/zinc/71/75/09/720717509.db2.gz VFUHZURGAISNJU-NRFANRHFSA-N 1 0 432.568 4.207 20 0 IIADRO Cc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754097 720868051 /nfs/dbraw/zinc/86/80/51/720868051.db2.gz RBSLLLIGNZMSLE-OFVILXPXSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1nc2ccsc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755517 720869001 /nfs/dbraw/zinc/86/90/01/720869001.db2.gz YCYNDEWIPCTINY-PXDATVDWSA-N 1 0 449.624 4.150 20 0 IIADRO Fc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753364 720873085 /nfs/dbraw/zinc/87/30/85/720873085.db2.gz PENRHTGEVUHFQV-CVDCTZTESA-N 1 0 430.955 4.024 20 0 IIADRO Cc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754585 720879130 /nfs/dbraw/zinc/87/91/30/720879130.db2.gz SBQGTOVLJMEMGX-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748413 720879929 /nfs/dbraw/zinc/87/99/29/720879929.db2.gz DQXFMICVFNKZEP-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757461 720885020 /nfs/dbraw/zinc/88/50/20/720885020.db2.gz VBKFUVOTYSLZON-SHQCIBLASA-N 1 0 432.612 4.111 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164857726 720894775 /nfs/dbraw/zinc/89/47/75/720894775.db2.gz JFOTYRHYWYIFHV-QHCPKHFHSA-N 1 0 433.600 4.156 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752836 720897966 /nfs/dbraw/zinc/89/79/66/720897966.db2.gz GAZOLMDQDAXUCR-NVQXNPDNSA-N 1 0 431.584 4.021 20 0 IIADRO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753747 720935183 /nfs/dbraw/zinc/93/51/83/720935183.db2.gz SLYYTYWSFIQRGP-ZEQKJWHPSA-N 1 0 435.616 4.059 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@H]2C ZINC001164857978 721001830 /nfs/dbraw/zinc/00/18/30/721001830.db2.gz FLZMXCSTUHRZPQ-SFHVURJKSA-N 1 0 427.556 4.310 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)c(F)c5c4C(=O)NC5)CC3)CC2)cc1 ZINC001164759509 721044457 /nfs/dbraw/zinc/04/44/57/721044457.db2.gz NROZDWKNZTYWQK-UHFFFAOYSA-N 1 0 442.966 4.309 20 0 IIADRO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759827 721044608 /nfs/dbraw/zinc/04/46/08/721044608.db2.gz QTTJMXPIJOSWMN-UHFFFAOYSA-N 1 0 445.567 4.002 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767617 721097349 /nfs/dbraw/zinc/09/73/49/721097349.db2.gz MNZJSPYKMDALAS-UXHICEINSA-N 1 0 430.581 4.050 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766680 721166643 /nfs/dbraw/zinc/16/66/43/721166643.db2.gz IZUODXFCWLNUNF-ZWKOTPCHSA-N 1 0 431.918 4.125 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766674 721167068 /nfs/dbraw/zinc/16/70/68/721167068.db2.gz IZUODXFCWLNUNF-ROUUACIJSA-N 1 0 431.918 4.125 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763956 721236372 /nfs/dbraw/zinc/23/63/72/721236372.db2.gz OMOSBOPJKUDCMT-HZPDHXFCSA-N 1 0 431.918 4.167 20 0 IIADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767118 721282657 /nfs/dbraw/zinc/28/26/57/721282657.db2.gz GPIMHDWWAQOKDC-UHFFFAOYSA-N 1 0 430.552 4.140 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782311 721354268 /nfs/dbraw/zinc/35/42/68/721354268.db2.gz MYNRZKLDZJPAAN-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786137 721376896 /nfs/dbraw/zinc/37/68/96/721376896.db2.gz SRZUQGNZEQTHSE-QHCPKHFHSA-N 1 0 432.996 4.190 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887106 721401329 /nfs/dbraw/zinc/40/13/29/721401329.db2.gz LAGJXSQMOVMZRD-MBSDFSHPSA-N 1 0 449.426 4.307 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164787331 721442410 /nfs/dbraw/zinc/44/24/10/721442410.db2.gz WVEUBPYTLBWXBL-BJKOFHAPSA-N 1 0 446.599 4.078 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164786873 721452792 /nfs/dbraw/zinc/45/27/92/721452792.db2.gz OEPDSEZFEUPWEH-HXUWFJFHSA-N 1 0 444.645 4.042 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164785446 721461891 /nfs/dbraw/zinc/46/18/91/721461891.db2.gz LHENETLEGRULAX-OAQYLSRUSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164783938 721464549 /nfs/dbraw/zinc/46/45/49/721464549.db2.gz GLHRLBJZHPLAHC-GOSISDBHSA-N 1 0 442.431 4.431 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1C)CC2 ZINC001164782707 721464666 /nfs/dbraw/zinc/46/46/66/721464666.db2.gz BCACMYYSZXAFSA-SFHVURJKSA-N 1 0 442.431 4.431 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164792503 721493362 /nfs/dbraw/zinc/49/33/62/721493362.db2.gz PUZBTFYZIZPROX-UHFFFAOYSA-N 1 0 438.576 4.100 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164808933 721541916 /nfs/dbraw/zinc/54/19/16/721541916.db2.gz SMPISOXJTQOLAA-WPYKKVEZSA-N 1 0 426.923 4.291 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@@H+]3C2)c1 ZINC001164909188 721567107 /nfs/dbraw/zinc/56/71/07/721567107.db2.gz SPRNLYPONPKNLL-PKOBYXMFSA-N 1 0 437.893 4.336 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@@H+]3C2)c1 ZINC001164908030 721567169 /nfs/dbraw/zinc/56/71/69/721567169.db2.gz PGXFYVMDMLLISZ-MJGOQNOKSA-N 1 0 437.893 4.336 20 0 IIADRO FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906311 721584164 /nfs/dbraw/zinc/58/41/64/721584164.db2.gz ZXLGWHOWMNPBKW-GOSISDBHSA-N 1 0 428.861 4.413 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164811304 721587803 /nfs/dbraw/zinc/58/78/03/721587803.db2.gz XFPJRMQJIABWEB-BHDDXSALSA-N 1 0 426.923 4.291 20 0 IIADRO FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904070 721693188 /nfs/dbraw/zinc/69/31/88/721693188.db2.gz CVDKPUABICLWDF-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907050 721699348 /nfs/dbraw/zinc/69/93/48/721699348.db2.gz QNBQANWTJGAEJT-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905568 721713230 /nfs/dbraw/zinc/71/32/30/721713230.db2.gz HPOAQSSOMIJTOS-NRFANRHFSA-N 1 0 427.524 4.338 20 0 IIADRO Fc1ccc(-c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910556 721727368 /nfs/dbraw/zinc/72/73/68/721727368.db2.gz FXVVFJXWIGZIMU-QHCPKHFHSA-N 1 0 439.485 4.415 20 0 IIADRO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913784 721729657 /nfs/dbraw/zinc/72/96/57/721729657.db2.gz XRXWKIQZXCOQHJ-JOCHJYFZSA-N 1 0 425.483 4.178 20 0 IIADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026614 721799071 /nfs/dbraw/zinc/79/90/71/721799071.db2.gz ROFTUYUCCGHDDD-BUKVSMQUSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@H]21 ZINC001165020309 721805900 /nfs/dbraw/zinc/80/59/00/721805900.db2.gz FDEPDAOCGKDFBR-FRFSOERESA-N 1 0 442.341 4.460 20 0 IIADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025860 721811532 /nfs/dbraw/zinc/81/15/32/721811532.db2.gz NZBWMGKAFSTSAS-PWIZWCRZSA-N 1 0 437.975 4.424 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021667 721815278 /nfs/dbraw/zinc/81/52/78/721815278.db2.gz FXBCECOXXZQING-DZFGPLHGSA-N 1 0 442.991 4.352 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165024225 721815770 /nfs/dbraw/zinc/81/57/70/721815770.db2.gz JZHZQLZFGWOAIM-JQHSSLGASA-N 1 0 436.934 4.420 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]21 ZINC001165025307 721820233 /nfs/dbraw/zinc/82/02/33/721820233.db2.gz MGLAVWMUJJLESZ-CWRNSKLLSA-N 1 0 439.963 4.096 20 0 IIADRO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165026121 721825486 /nfs/dbraw/zinc/82/54/86/721825486.db2.gz OFEQIUFAMBTSAY-BPUDTRNYSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]21 ZINC001165024432 721825762 /nfs/dbraw/zinc/82/57/62/721825762.db2.gz JVQAVYVCBJFCPQ-QILLFSRXSA-N 1 0 446.933 4.288 20 0 IIADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028381 721827416 /nfs/dbraw/zinc/82/74/16/721827416.db2.gz VRLXYVZYFOKASP-FJIJXJHWSA-N 1 0 428.584 4.287 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022029 721842094 /nfs/dbraw/zinc/84/20/94/721842094.db2.gz NBVLMDLONYNMLE-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO COc1ccc(OC)c(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164959849 722022743 /nfs/dbraw/zinc/02/27/43/722022743.db2.gz JAYPZFOJPBYYPY-UHFFFAOYSA-N 1 0 445.567 4.048 20 0 IIADRO Cc1sc2nc(C)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1C ZINC001164964861 722055805 /nfs/dbraw/zinc/05/58/05/722055805.db2.gz YSILHFMSKBYOSI-UHFFFAOYSA-N 1 0 437.613 4.131 20 0 IIADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962262 722056324 /nfs/dbraw/zinc/05/63/24/722056324.db2.gz CATSKYZNEOKDQQ-UHFFFAOYSA-N 1 0 436.934 4.102 20 0 IIADRO Clc1cccc(-c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)c1 ZINC001164962603 722060173 /nfs/dbraw/zinc/06/01/73/722060173.db2.gz UTVZTURYCXKGFG-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975003 722110152 /nfs/dbraw/zinc/11/01/52/722110152.db2.gz JFBDYWWBKRNOLN-JXFKEZNVSA-N 1 0 444.366 4.059 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984191 722130740 /nfs/dbraw/zinc/13/07/40/722130740.db2.gz WIFYVBWNFUHEJU-AVRDEDQJSA-N 1 0 438.959 4.019 20 0 IIADRO CC(C)(C)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978059 722138858 /nfs/dbraw/zinc/13/88/58/722138858.db2.gz JLUOJQWYQAMCEW-LEWJYISDSA-N 1 0 437.632 4.194 20 0 IIADRO Clc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979592 722150390 /nfs/dbraw/zinc/15/03/90/722150390.db2.gz LKSHWVQVKWUBKZ-OXQOHEQNSA-N 1 0 444.366 4.059 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972231 722153541 /nfs/dbraw/zinc/15/35/41/722153541.db2.gz HKYFBYDGARBSAI-PWIZWCRZSA-N 1 0 429.996 4.074 20 0 IIADRO Fc1ccc(F)c2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975321 722156928 /nfs/dbraw/zinc/15/69/28/722156928.db2.gz SHSCPZJOKWWIDQ-OXQOHEQNSA-N 1 0 444.913 4.289 20 0 IIADRO Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972745 722157235 /nfs/dbraw/zinc/15/72/35/722157235.db2.gz JKQATRCQNKMTEL-LPHOPBHVSA-N 1 0 444.366 4.059 20 0 IIADRO O=C1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc2N1CC1CC1 ZINC001164973029 722161092 /nfs/dbraw/zinc/16/10/92/722161092.db2.gz KEIZCHRXLRPTSN-UHFFFAOYSA-N 1 0 430.596 4.362 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999081 722227426 /nfs/dbraw/zinc/22/74/26/722227426.db2.gz IBJRBWAIVWSRAV-FCHUYYIVSA-N 1 0 438.620 4.233 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165001717 722248308 /nfs/dbraw/zinc/24/83/08/722248308.db2.gz UBXINQXSMWBSBU-NRFANRHFSA-N 1 0 446.555 4.217 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc3ccccc3nc1Cl)CCC2 ZINC001165001642 722254895 /nfs/dbraw/zinc/25/48/95/722254895.db2.gz DWIYXVIPPLJMNG-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Br ZINC000320728962 1126079601 /nfs/dbraw/zinc/07/96/01/1126079601.db2.gz NFDBGNWKNSNYJU-OAHLLOKOSA-N 1 0 443.179 4.304 20 0 IIADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc(Br)c1OC(F)F ZINC000466911647 1126094092 /nfs/dbraw/zinc/09/40/92/1126094092.db2.gz WNRMDSJDEXHXOM-OAHLLOKOSA-N 1 0 430.289 4.061 20 0 IIADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000479454454 1126094653 /nfs/dbraw/zinc/09/46/53/1126094653.db2.gz OUQHHULMHYJZJB-OAQYLSRUSA-N 1 0 427.342 4.116 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@H](CO)Cc4c[nH]c5ccccc45)cc3)nc12 ZINC000522536303 1126095932 /nfs/dbraw/zinc/09/59/32/1126095932.db2.gz HVGKLBYHPMPEFS-QFIPXVFZSA-N 1 0 440.547 4.396 20 0 IIADRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171949483 1126148584 /nfs/dbraw/zinc/14/85/84/1126148584.db2.gz SPCVQQDXKZBZNG-HSZRJFAPSA-N 1 0 446.385 4.414 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001175707418 1126149159 /nfs/dbraw/zinc/14/91/59/1126149159.db2.gz LCOQMPZQYYUVOW-XMMPIXPASA-N 1 0 426.944 4.406 20 0 IIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC001178508965 1126151138 /nfs/dbraw/zinc/15/11/38/1126151138.db2.gz DFWVZISBETVQFA-VWLOTQADSA-N 1 0 427.548 4.300 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC001179277072 1126151505 /nfs/dbraw/zinc/15/15/05/1126151505.db2.gz ACRSKSXUGCWFCC-OAQYLSRUSA-N 1 0 448.792 4.431 20 0 IIADRO CC1(C)OCc2cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)ccc2O1 ZINC001182881219 1126153139 /nfs/dbraw/zinc/15/31/39/1126153139.db2.gz KZGQWZWKEPKQRQ-JOCHJYFZSA-N 1 0 432.358 4.104 20 0 IIADRO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)on1 ZINC001183419204 1126153269 /nfs/dbraw/zinc/15/32/69/1126153269.db2.gz JCBIMXLEAVTFQM-QFIPXVFZSA-N 1 0 437.968 4.171 20 0 IIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)c1 ZINC001308117814 1126163592 /nfs/dbraw/zinc/16/35/92/1126163592.db2.gz MYUGOCACWBLGMG-JOCHJYFZSA-N 1 0 430.957 4.333 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)cnc1Cl ZINC001308479733 1126166776 /nfs/dbraw/zinc/16/67/76/1126166776.db2.gz LPVXQHJSHZAMDD-INIZCTEOSA-N 1 0 448.586 4.343 20 0 IIADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001308494378 1126167335 /nfs/dbraw/zinc/16/73/35/1126167335.db2.gz IGIVWCMUHPDVPF-DEOSSOPVSA-N 1 0 426.944 4.406 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)ccc2Cl)cc1OC ZINC001460869398 1126192984 /nfs/dbraw/zinc/19/29/84/1126192984.db2.gz NXRAAHPOZLVAFP-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1Br ZINC001461431361 1126194316 /nfs/dbraw/zinc/19/43/16/1126194316.db2.gz HRWLRGPETPVJTK-HNNXBMFYSA-N 1 0 443.179 4.222 20 0 IIADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3F)cc2)cc1 ZINC001473839414 1126199900 /nfs/dbraw/zinc/19/99/00/1126199900.db2.gz ARTWYPPRDKQCJQ-DEOSSOPVSA-N 1 0 427.541 4.050 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001461698084 1126196469 /nfs/dbraw/zinc/19/64/69/1126196469.db2.gz TWTHCYFLOXCEKA-JOCHJYFZSA-N 1 0 434.367 4.352 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1Br ZINC001473999898 1126201415 /nfs/dbraw/zinc/20/14/15/1126201415.db2.gz VMHRDBCTHNKCQY-OAHLLOKOSA-N 1 0 438.163 4.386 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC001474113256 1126201584 /nfs/dbraw/zinc/20/15/84/1126201584.db2.gz MOEOAQVXZQPBAV-FQEVSTJZSA-N 1 0 428.374 4.253 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001474227262 1126203378 /nfs/dbraw/zinc/20/33/78/1126203378.db2.gz RRLVRRVXSFQPOM-JOCHJYFZSA-N 1 0 433.474 4.042 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC ZINC001474257267 1126203805 /nfs/dbraw/zinc/20/38/05/1126203805.db2.gz FEKVPLLPWMCHTI-DEOSSOPVSA-N 1 0 430.545 4.134 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccccc2OCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC001559998085 1126207299 /nfs/dbraw/zinc/20/72/99/1126207299.db2.gz QCLKADHMVLVJDJ-LJQANCHMSA-N 1 0 444.291 4.400 20 0 IIADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(Br)c1 ZINC001560182239 1126208454 /nfs/dbraw/zinc/20/84/54/1126208454.db2.gz BQBWOEGLEQXIIT-SFHVURJKSA-N 1 0 443.179 4.304 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ncc(Br)cc1Cl ZINC001620624517 1126241896 /nfs/dbraw/zinc/24/18/96/1126241896.db2.gz ZASSGJBJIGUZOR-INIZCTEOSA-N 1 0 448.586 4.343 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(F)ccc1Br ZINC001620624373 1126241692 /nfs/dbraw/zinc/24/16/92/1126241692.db2.gz VQTVWVMUAVEBFS-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001621022421 1126244589 /nfs/dbraw/zinc/24/45/89/1126244589.db2.gz WMITXRZRTLXLKX-GOSISDBHSA-N 1 0 448.279 4.440 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(O)ccc1Br ZINC001621022205 1126244697 /nfs/dbraw/zinc/24/46/97/1126244697.db2.gz NFCALKQODHSJCL-KRWDZBQOSA-N 1 0 429.152 4.001 20 0 IIADRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925307 563025861 /nfs/dbraw/zinc/02/58/61/563025861.db2.gz ZZHKHRXDQLQSFW-MHZLTWQESA-N 1 0 430.592 4.014 20 0 IIADRO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000048285645 569588109 /nfs/dbraw/zinc/58/81/09/569588109.db2.gz XAMRXACHKMHXSP-UHFFFAOYSA-N 1 0 448.611 4.263 20 0 IIADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCC5(CC([NH3+])C5)CC3)n2)CCC4)CC1 ZINC001164386949 718802225 /nfs/dbraw/zinc/80/22/25/718802225.db2.gz HTNHGUZFHLRFBP-UHFFFAOYSA-N 1 0 425.646 4.120 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)c2nc3ccsc3c(Cl)n2)CCC12CC[NH2+]CC2 ZINC001164389648 718814301 /nfs/dbraw/zinc/81/43/01/718814301.db2.gz XINJTFPIUGDJSC-LBPRGKRZSA-N 1 0 426.842 4.400 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164614217 719006768 /nfs/dbraw/zinc/00/67/68/719006768.db2.gz DJKNFYQKXVXNJT-AUUYWEPGSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164618184 719007184 /nfs/dbraw/zinc/00/71/84/719007184.db2.gz QQUUYXLZJVGREF-BEFAXECRSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)CC1 ZINC001164613787 719021805 /nfs/dbraw/zinc/02/18/05/719021805.db2.gz DSCSVNGEKIGWLY-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)CC1 ZINC001164613823 719021896 /nfs/dbraw/zinc/02/18/96/719021896.db2.gz GIDBGZOZKLGGFW-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC2)CC1 ZINC001164618382 719026173 /nfs/dbraw/zinc/02/61/73/719026173.db2.gz VFKBUQOASPHONP-MRXNPFEDSA-N 1 0 442.629 4.060 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618334 719047773 /nfs/dbraw/zinc/04/77/73/719047773.db2.gz AQTROHAOPUJTMJ-GCJKJVERSA-N 1 0 441.913 4.320 20 0 IIADRO O=C(c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCCC1 ZINC001164629073 719064868 /nfs/dbraw/zinc/06/48/68/719064868.db2.gz VJEJHWKAPLABLB-IFMALSPDSA-N 1 0 439.003 4.462 20 0 IIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627234 719078999 /nfs/dbraw/zinc/07/89/99/719078999.db2.gz PYQLMVHOEAETIY-RBBKRZOGSA-N 1 0 447.583 4.079 20 0 IIADRO O=C(c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630515 719099750 /nfs/dbraw/zinc/09/97/50/719099750.db2.gz WTZCIHIBTHLVQG-NFBKMPQASA-N 1 0 439.003 4.462 20 0 IIADRO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1 ZINC001164627467 719103366 /nfs/dbraw/zinc/10/33/66/719103366.db2.gz KWDIGCNUYCOYAD-HYBUGGRVSA-N 1 0 430.552 4.262 20 0 IIADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164622601 719122375 /nfs/dbraw/zinc/12/23/75/719122375.db2.gz PMNFLEQKKUJDLY-SJLPKXTDSA-N 1 0 443.636 4.069 20 0 IIADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164622599 719122765 /nfs/dbraw/zinc/12/27/65/719122765.db2.gz PMNFLEQKKUJDLY-FUHWJXTLSA-N 1 0 443.636 4.069 20 0 IIADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164622603 719122802 /nfs/dbraw/zinc/12/28/02/719122802.db2.gz PMNFLEQKKUJDLY-WMZOPIPTSA-N 1 0 443.636 4.069 20 0 IIADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681050 719659516 /nfs/dbraw/zinc/65/95/16/719659516.db2.gz LYOAUSLRQYHWBR-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO Cc1ccc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680981 719661588 /nfs/dbraw/zinc/66/15/88/719661588.db2.gz KNOSLMDKYRQQIB-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)CC2 ZINC001164684526 719719179 /nfs/dbraw/zinc/71/91/79/719719179.db2.gz HQABTGNCZGFMLF-UHFFFAOYSA-N 1 0 449.986 4.131 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccccc3)c3ccc(OC)cc3n1)CC2 ZINC001164689408 719739424 /nfs/dbraw/zinc/73/94/24/719739424.db2.gz FPKCRBXVFJZODQ-UHFFFAOYSA-N 1 0 444.579 4.091 20 0 IIADRO CCOC(=O)c1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncc1Cl ZINC001164691033 719804517 /nfs/dbraw/zinc/80/45/17/719804517.db2.gz DEFZETPXOQCQEQ-UHFFFAOYSA-N 1 0 434.993 4.312 20 0 IIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4ccccc4)nc(N(C)C)n2)CC3)cs1 ZINC001164694525 719810612 /nfs/dbraw/zinc/81/06/12/719810612.db2.gz ZNNUVMFTJVJXDZ-UHFFFAOYSA-N 1 0 449.628 4.005 20 0 IIADRO CCOC(=O)/C=C\c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692642 719811279 /nfs/dbraw/zinc/81/12/79/719811279.db2.gz QGJYFIXENOPEAC-VURMDHGXSA-N 1 0 426.586 4.058 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)cnc32)CC1 ZINC001164698866 719830697 /nfs/dbraw/zinc/83/06/97/719830697.db2.gz VPUHGIMLWMCXCJ-UHFFFAOYSA-N 1 0 449.986 4.370 20 0 IIADRO Fc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694578 719891507 /nfs/dbraw/zinc/89/15/07/719891507.db2.gz AFCVDWLUTSJTRO-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO Fc1cc2ncnc(Cl)c2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164696275 719897105 /nfs/dbraw/zinc/89/71/05/719897105.db2.gz FJZKWJLTSCFFLJ-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO COc1cc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc2c(OC)c1 ZINC001164706269 719903291 /nfs/dbraw/zinc/90/32/91/719903291.db2.gz GOOAWOMJKUIRJZ-UHFFFAOYSA-N 1 0 439.581 4.185 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805915 720090250 /nfs/dbraw/zinc/09/02/50/720090250.db2.gz APZNGFKXVAVDEL-KUHUBIRLSA-N 1 0 442.963 4.074 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164712112 720094984 /nfs/dbraw/zinc/09/49/84/720094984.db2.gz VOMAZAXPSSWGGT-SFHVURJKSA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164711680 720095082 /nfs/dbraw/zinc/09/50/82/720095082.db2.gz SKAVBBIXCBKWBP-SFHVURJKSA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812217 720100396 /nfs/dbraw/zinc/10/03/96/720100396.db2.gz PYCGODOMVZSTEE-DYESRHJHSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164711533 720103947 /nfs/dbraw/zinc/10/39/47/720103947.db2.gz QKPWXQSBKPKJTD-SFHVURJKSA-N 1 0 425.964 4.119 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164718101 720121565 /nfs/dbraw/zinc/12/15/65/720121565.db2.gz RRMCOSLZBSTEPH-FQEVSTJZSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811592 720137292 /nfs/dbraw/zinc/13/72/92/720137292.db2.gz MRMSQJYUKKSEDQ-KKSFZXQISA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164712164 720152981 /nfs/dbraw/zinc/15/29/81/720152981.db2.gz KQEYHXFMUIEFEJ-FQEVSTJZSA-N 1 0 444.023 4.464 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813481 720197654 /nfs/dbraw/zinc/19/76/54/720197654.db2.gz QAGVLRSPCZFWIY-SBUREZEXSA-N 1 0 446.954 4.246 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832469 720332495 /nfs/dbraw/zinc/33/24/95/720332495.db2.gz UAYQVBRWDSIGSU-RTWAWAEBSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164727105 720437385 /nfs/dbraw/zinc/43/73/85/720437385.db2.gz DBEZNSIQAUOFAP-RPWUZVMVSA-N 1 0 438.579 4.345 20 0 IIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729625 720478862 /nfs/dbraw/zinc/47/88/62/720478862.db2.gz SAIAXVPHNQNLFP-WOJBJXKFSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)C1 ZINC001164726096 720518136 /nfs/dbraw/zinc/51/81/36/720518136.db2.gz AOWIXGMJEGIVOL-KRWDZBQOSA-N 1 0 432.959 4.345 20 0 IIADRO Cc1ccc(-c2nnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c3ccccc32)cc1C ZINC001164732946 720523901 /nfs/dbraw/zinc/52/39/01/720523901.db2.gz HRMVXVGBEXBLBS-FQEVSTJZSA-N 1 0 426.568 4.308 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]21 ZINC001164834560 720532902 /nfs/dbraw/zinc/53/29/02/720532902.db2.gz DUSSLJNEDMRFPO-AVYPCKFXSA-N 1 0 446.933 4.136 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839628 720542379 /nfs/dbraw/zinc/54/23/79/720542379.db2.gz QWPFUXIAYLBMLL-NPPFBWRTSA-N 1 0 439.991 4.471 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833709 720571743 /nfs/dbraw/zinc/57/17/43/720571743.db2.gz BERXCBYORHOMEK-WOIUINJBSA-N 1 0 439.991 4.471 20 0 IIADRO Fc1ccc(-c2csc3ncnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c23)cc1 ZINC001164736487 720581799 /nfs/dbraw/zinc/58/17/99/720581799.db2.gz LNVJZCYQKANNCY-UHFFFAOYSA-N 1 0 448.571 4.352 20 0 IIADRO Fc1ccc(-c2nnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c3ccccc32)cc1 ZINC001164736134 720583218 /nfs/dbraw/zinc/58/32/18/720583218.db2.gz DMWNPFGFGJLRDS-UHFFFAOYSA-N 1 0 442.542 4.291 20 0 IIADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843605 720600428 /nfs/dbraw/zinc/60/04/28/720600428.db2.gz YPDQDNFPPWPKPB-GBESFXJTSA-N 1 0 431.028 4.310 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]21 ZINC001164840253 720619584 /nfs/dbraw/zinc/61/95/84/720619584.db2.gz PKTHKZPEWFAENY-ZWOKBUDYSA-N 1 0 426.515 4.142 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836307 720624920 /nfs/dbraw/zinc/62/49/20/720624920.db2.gz FSJDLUSKVCZZTL-RJGXRXQPSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164838250 720651685 /nfs/dbraw/zinc/65/16/85/720651685.db2.gz GTVHDABGUAEXJG-WWMYMODYSA-N 1 0 449.977 4.343 20 0 IIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164840564 720678483 /nfs/dbraw/zinc/67/84/83/720678483.db2.gz GPLBZMQHALJQHI-GOSISDBHSA-N 1 0 425.964 4.180 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164842691 720679444 /nfs/dbraw/zinc/67/94/44/720679444.db2.gz MQQUIYSNBGLGFH-SFHVURJKSA-N 1 0 442.991 4.155 20 0 IIADRO COc1ccccc1-c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164836431 720713724 /nfs/dbraw/zinc/71/37/24/720713724.db2.gz AIGMTEVBBOQMCJ-JOCHJYFZSA-N 1 0 444.579 4.412 20 0 IIADRO CSc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840881 720728016 /nfs/dbraw/zinc/72/80/16/720728016.db2.gz RGSJOARPKQYEDY-SFHVURJKSA-N 1 0 430.643 4.180 20 0 IIADRO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1C ZINC001164745780 720849595 /nfs/dbraw/zinc/84/95/95/720849595.db2.gz NJWZEDAMRODZLE-WMTXJRDZSA-N 1 0 430.600 4.131 20 0 IIADRO Cc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755515 720868887 /nfs/dbraw/zinc/86/88/87/720868887.db2.gz YCYNDEWIPCTINY-BWKNWUBXSA-N 1 0 449.624 4.150 20 0 IIADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164852999 720875465 /nfs/dbraw/zinc/87/54/65/720875465.db2.gz BCCVSGHIIYSQFQ-LVXARBLLSA-N 1 0 447.579 4.084 20 0 IIADRO Cc1ccc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753993 720878674 /nfs/dbraw/zinc/87/86/74/720878674.db2.gz QQGCZDVBTJGRKV-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755092 720886038 /nfs/dbraw/zinc/88/60/38/720886038.db2.gz KQCSTJGOIUOLBP-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755988 720892526 /nfs/dbraw/zinc/89/25/26/720892526.db2.gz NXQKZYPXEMXCSW-SQHAQQRYSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755982 720892535 /nfs/dbraw/zinc/89/25/35/720892535.db2.gz NXQKZYPXEMXCSW-IGKIAQTJSA-N 1 0 443.595 4.088 20 0 IIADRO CSc1nc(Cl)cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863938 720926435 /nfs/dbraw/zinc/92/64/35/720926435.db2.gz ZWVBKJOJURGVJK-GFCCVEGCSA-N 1 0 430.956 4.015 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1Cl ZINC001164856183 720940589 /nfs/dbraw/zinc/94/05/89/720940589.db2.gz CEHNPTFTWROCAA-ZDUSSCGKSA-N 1 0 440.375 4.183 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@H]2C ZINC001164863504 720974400 /nfs/dbraw/zinc/97/44/00/720974400.db2.gz VVPRCEXVEWLRMY-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@@H]2C ZINC001164860610 720978544 /nfs/dbraw/zinc/97/85/44/720978544.db2.gz PEEXGUKODGBFMT-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO COc1ccc(Oc2cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc(C)n2)cc1 ZINC001164857331 721015051 /nfs/dbraw/zinc/01/50/51/721015051.db2.gz DCLXTVYSPGXMMT-QGZVFWFLSA-N 1 0 436.560 4.204 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771188 721055878 /nfs/dbraw/zinc/05/58/78/721055878.db2.gz LXARDIPFBUQSDI-SMIHKQSGSA-N 1 0 433.600 4.102 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767622 721097633 /nfs/dbraw/zinc/09/76/33/721097633.db2.gz MNZJSPYKMDALAS-VQTJNVASSA-N 1 0 430.581 4.050 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762964 721097679 /nfs/dbraw/zinc/09/76/79/721097679.db2.gz FPFAQDDWHCMJQT-SJORKVTESA-N 1 0 436.610 4.112 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762945 721097751 /nfs/dbraw/zinc/09/77/51/721097751.db2.gz FPFAQDDWHCMJQT-DLBZAZTESA-N 1 0 436.610 4.112 20 0 IIADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879455 721167734 /nfs/dbraw/zinc/16/77/34/721167734.db2.gz SGNQNCCRFZUMHW-WOJBJXKFSA-N 1 0 444.913 4.308 20 0 IIADRO Clc1ccc2ccc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880447 721180142 /nfs/dbraw/zinc/18/01/42/721180142.db2.gz WRWJLQXFKQCNCA-QZTJIDSGSA-N 1 0 429.351 4.416 20 0 IIADRO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164773897 721191960 /nfs/dbraw/zinc/19/19/60/721191960.db2.gz XXYATHIGIWJLAV-XZOQPEGZSA-N 1 0 438.579 4.297 20 0 IIADRO Cc1ccc(-c2nnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164773894 721192551 /nfs/dbraw/zinc/19/25/51/721192551.db2.gz XXYATHIGIWJLAV-DHIUTWEWSA-N 1 0 438.579 4.297 20 0 IIADRO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164773895 721193102 /nfs/dbraw/zinc/19/31/02/721193102.db2.gz XXYATHIGIWJLAV-GOTSBHOMSA-N 1 0 438.579 4.297 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772367 721204081 /nfs/dbraw/zinc/20/40/81/721204081.db2.gz TVVTVAGKOSTONY-ICSRJNTNSA-N 1 0 430.581 4.050 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763954 721237507 /nfs/dbraw/zinc/23/75/07/721237507.db2.gz OMOSBOPJKUDCMT-CVEARBPZSA-N 1 0 431.918 4.167 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760721 721248534 /nfs/dbraw/zinc/24/85/34/721248534.db2.gz GHZKTCHNSIYOFA-SJORKVTESA-N 1 0 447.917 4.232 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164789365 721458797 /nfs/dbraw/zinc/45/87/97/721458797.db2.gz XJIOQYPYKLLUAI-KRWDZBQOSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164784889 721460778 /nfs/dbraw/zinc/46/07/78/721460778.db2.gz KOPHZCHEZXFQSD-FQEVSTJZSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164784893 721460951 /nfs/dbraw/zinc/46/09/51/721460951.db2.gz KOPHZCHEZXFQSD-HXUWFJFHSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164784965 721462383 /nfs/dbraw/zinc/46/23/83/721462383.db2.gz LAZKBEXLLZGUBL-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO CCOC(=O)c1cc2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2[nH]1 ZINC001164791545 721493882 /nfs/dbraw/zinc/49/38/82/721493882.db2.gz DEUFZCDHZGDOGB-UHFFFAOYSA-N 1 0 433.556 4.016 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164792292 721497197 /nfs/dbraw/zinc/49/71/97/721497197.db2.gz NEJIWXRPIJFQAD-UHFFFAOYSA-N 1 0 429.568 4.332 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164898043 721507391 /nfs/dbraw/zinc/50/73/91/721507391.db2.gz HNZDMSLOZPFKIM-HSZRJFAPSA-N 1 0 433.600 4.185 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@@H+]3C2)c1 ZINC001164899752 721514650 /nfs/dbraw/zinc/51/46/50/721514650.db2.gz MIGLCSNNVRISQJ-NVXWUHKLSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164900810 721518613 /nfs/dbraw/zinc/51/86/13/721518613.db2.gz UXVMQEMOBGIORU-SJLPKXTDSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908144 721528424 /nfs/dbraw/zinc/52/84/24/721528424.db2.gz PCNBLLASWALOSG-HIFRSBDPSA-N 1 0 434.849 4.042 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908146 721528657 /nfs/dbraw/zinc/52/86/57/721528657.db2.gz PCNBLLASWALOSG-UKRRQHHQSA-N 1 0 434.849 4.042 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904094 721552596 /nfs/dbraw/zinc/55/25/96/721552596.db2.gz CZWHDAPMNCZAIR-IFMALSPDSA-N 1 0 441.510 4.173 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904637 721553726 /nfs/dbraw/zinc/55/37/26/721553726.db2.gz DZOTXWXLIGDYRS-PZJWPPBQSA-N 1 0 441.510 4.173 20 0 IIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907408 721584849 /nfs/dbraw/zinc/58/48/49/721584849.db2.gz SHXOPGVWMKPBLE-GOSISDBHSA-N 1 0 443.876 4.116 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@H]12 ZINC001164808337 721589615 /nfs/dbraw/zinc/58/96/15/721589615.db2.gz QSSNSKSGXPBQPB-NOXFTYBFSA-N 1 0 426.923 4.291 20 0 IIADRO C[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007484 721692529 /nfs/dbraw/zinc/69/25/29/721692529.db2.gz CMJXSRMMFFZXKU-BVZALQNUSA-N 1 0 428.964 4.263 20 0 IIADRO FC(F)(Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907985 721695567 /nfs/dbraw/zinc/69/55/67/721695567.db2.gz XTBMUABUVABGOA-GOSISDBHSA-N 1 0 444.860 4.292 20 0 IIADRO FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907374 721707753 /nfs/dbraw/zinc/70/77/53/721707753.db2.gz RELLBJRDPIDPPA-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCCN(CCC)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904782 721716035 /nfs/dbraw/zinc/71/60/35/721716035.db2.gz DCKKKHHPKDPSHN-QHCPKHFHSA-N 1 0 444.574 4.236 20 0 IIADRO CCc1nc2sccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912852 721731084 /nfs/dbraw/zinc/73/10/84/721731084.db2.gz QOZBHMPKTRSICI-NRFANRHFSA-N 1 0 429.540 4.386 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915939 721803280 /nfs/dbraw/zinc/80/32/80/721803280.db2.gz MOEQYZZQXVBCBY-NZQKXSOJSA-N 1 0 442.558 4.161 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001165025399 721808022 /nfs/dbraw/zinc/80/80/22/721808022.db2.gz NXXTULQXWLMTSR-SESVDKBCSA-N 1 0 434.975 4.324 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165025906 721808854 /nfs/dbraw/zinc/80/88/54/721808854.db2.gz ODYNQTNVCMHZNJ-TUACAJSNSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@H]21 ZINC001165025266 721819814 /nfs/dbraw/zinc/81/98/14/721819814.db2.gz MBVWMVRKGQMMOT-GMKZXUHWSA-N 1 0 429.568 4.188 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1)C1CC1 ZINC001165018868 721822526 /nfs/dbraw/zinc/82/25/26/721822526.db2.gz AOLZKMFUBHKVNH-CGBRIMPHSA-N 1 0 448.611 4.270 20 0 IIADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2)n1 ZINC001165027509 721827669 /nfs/dbraw/zinc/82/76/69/721827669.db2.gz SMKDVOSMTYMRNV-ILWGZMRPSA-N 1 0 432.572 4.387 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]21 ZINC001165024015 721828895 /nfs/dbraw/zinc/82/88/95/721828895.db2.gz JHICGENIYLMUQL-ILWGZMRPSA-N 1 0 430.556 4.141 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@H]21 ZINC001165021520 721832231 /nfs/dbraw/zinc/83/22/31/721832231.db2.gz FYNKWQPMUOLIBY-CDHQVMDDSA-N 1 0 437.638 4.062 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(OCc3ccccc3)cnn2)CC1 ZINC001165020248 721842206 /nfs/dbraw/zinc/84/22/06/721842206.db2.gz AZRHPBFMXQSYPT-UHFFFAOYSA-N 1 0 448.567 4.174 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927409 721868403 /nfs/dbraw/zinc/86/84/03/721868403.db2.gz UYNUOOGLRWCQDK-FCHUYYIVSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164933977 721890670 /nfs/dbraw/zinc/89/06/70/721890670.db2.gz NTQBLZGAHCGWJJ-IAGOWNOFSA-N 1 0 426.964 4.223 20 0 IIADRO O=C(C1=CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21)N1CCCC1 ZINC001164928783 721899641 /nfs/dbraw/zinc/89/96/41/721899641.db2.gz OZRNWYLMUNZQLW-UHFFFAOYSA-N 1 0 442.607 4.235 20 0 IIADRO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939308 721924951 /nfs/dbraw/zinc/92/49/51/721924951.db2.gz HRWGCDPFEWYQQU-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940589 721929231 /nfs/dbraw/zinc/92/92/31/721929231.db2.gz UOJIBWGFVWGYGV-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)C2)cc1 ZINC001164938595 721931872 /nfs/dbraw/zinc/93/18/72/721931872.db2.gz ABEJDWQTZTWOAT-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC001165045022 721949260 /nfs/dbraw/zinc/94/92/60/721949260.db2.gz LYPJBWLSOCKSHO-UHFFFAOYSA-N 1 0 438.597 4.155 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)nc1 ZINC001164958303 722029995 /nfs/dbraw/zinc/02/99/95/722029995.db2.gz OMMSBJQSOHGPEU-SVPADUAOSA-N 1 0 440.563 4.368 20 0 IIADRO c1cn(C2CCCC2)c2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963210 722056677 /nfs/dbraw/zinc/05/66/77/722056677.db2.gz IOUCLQMAYGHNQQ-UHFFFAOYSA-N 1 0 446.599 4.060 20 0 IIADRO c1ccc(COc2cccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962203 722058140 /nfs/dbraw/zinc/05/81/40/722058140.db2.gz PQHFFAVBWIYIBV-UHFFFAOYSA-N 1 0 444.579 4.175 20 0 IIADRO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164962400 722060246 /nfs/dbraw/zinc/06/02/46/722060246.db2.gz RNSRYKBAYQPZIY-UHFFFAOYSA-N 1 0 443.595 4.274 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164985204 722098185 /nfs/dbraw/zinc/09/81/85/722098185.db2.gz VKWZYPIUUSGVGP-VWBWNGLSSA-N 1 0 433.600 4.174 20 0 IIADRO COc1cccc2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981570 722099655 /nfs/dbraw/zinc/09/96/55/722099655.db2.gz LSSRHDXTSINODO-PGRDOPGGSA-N 1 0 438.959 4.019 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981571 722099822 /nfs/dbraw/zinc/09/98/22/722099822.db2.gz LSSRHDXTSINODO-XMSQKQJNSA-N 1 0 438.959 4.019 20 0 IIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985823 722101733 /nfs/dbraw/zinc/10/17/33/722101733.db2.gz XBMFDKXVGUEJHK-DOTOQJQBSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982078 722102089 /nfs/dbraw/zinc/10/20/89/722102089.db2.gz MRJWDFXTRVXWAJ-WBVHZDCISA-N 1 0 443.325 4.056 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980275 722132835 /nfs/dbraw/zinc/13/28/35/722132835.db2.gz MJRWSTPUSQNSHI-PKOBYXMFSA-N 1 0 428.989 4.380 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972229 722153341 /nfs/dbraw/zinc/15/33/41/722153341.db2.gz HKYFBYDGARBSAI-DBVUQKKJSA-N 1 0 429.996 4.074 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@H]3COCC)CC2)nc1 ZINC001164991138 722187784 /nfs/dbraw/zinc/18/77/84/722187784.db2.gz NXRHFMXZGIYWRQ-PKTZIBPZSA-N 1 0 442.648 4.120 20 0 IIADRO CC(C)(C)OC(=O)Nc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164995847 722195044 /nfs/dbraw/zinc/19/50/44/722195044.db2.gz YQQZNVMQXFHUFS-HSZRJFAPSA-N 1 0 427.524 4.208 20 0 IIADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000466892451 1126093545 /nfs/dbraw/zinc/09/35/45/1126093545.db2.gz ZQAFGNSHNXNLJA-JOCHJYFZSA-N 1 0 441.369 4.425 20 0 IIADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc(Br)c1OC(F)F ZINC000466911646 1126094153 /nfs/dbraw/zinc/09/41/53/1126094153.db2.gz WNRMDSJDEXHXOM-HNNXBMFYSA-N 1 0 430.289 4.061 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605158 1126094972 /nfs/dbraw/zinc/09/49/72/1126094972.db2.gz RQOWOWNOGJDOEN-FQEVSTJZSA-N 1 0 428.458 4.125 20 0 IIADRO O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605199 1126095319 /nfs/dbraw/zinc/09/53/19/1126095319.db2.gz RWKJSVNVYZPHAF-WOJBJXKFSA-N 1 0 439.428 4.277 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822922 1126150586 /nfs/dbraw/zinc/15/05/86/1126150586.db2.gz PPXOXEGSUSNUBX-DOTOQJQBSA-N 1 0 436.243 4.221 20 0 IIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC001178615104 1126151381 /nfs/dbraw/zinc/15/13/81/1126151381.db2.gz RBCNJHHIMOCSDZ-RUZDIDTESA-N 1 0 445.538 4.439 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC001179521314 1126152682 /nfs/dbraw/zinc/15/26/82/1126152682.db2.gz ZDMXKKZLYMIVPH-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)cc1 ZINC001203581228 1126158858 /nfs/dbraw/zinc/15/88/58/1126158858.db2.gz JXTDDLNNTGGIOY-QFIPXVFZSA-N 1 0 444.373 4.035 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001308117676 1126163576 /nfs/dbraw/zinc/16/35/76/1126163576.db2.gz KRFWKAUXZAGVJC-GOSISDBHSA-N 1 0 432.280 4.474 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001308117848 1126163657 /nfs/dbraw/zinc/16/36/57/1126163657.db2.gz NKAHSKMYFHQJSC-GOSISDBHSA-N 1 0 432.280 4.474 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(Cl)ccc1Br ZINC001308480090 1126166770 /nfs/dbraw/zinc/16/67/70/1126166770.db2.gz QPNZFSXQKLBVPE-INIZCTEOSA-N 1 0 448.586 4.343 20 0 IIADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001461200226 1126193790 /nfs/dbraw/zinc/19/37/90/1126193790.db2.gz CIBOUUWJYHQDPZ-GOSISDBHSA-N 1 0 439.357 4.118 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1I ZINC001461203958 1126194061 /nfs/dbraw/zinc/19/40/61/1126194061.db2.gz OIXOBPOHLRJBAQ-OAHLLOKOSA-N 1 0 440.712 4.119 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1Br ZINC001461431362 1126194224 /nfs/dbraw/zinc/19/42/24/1126194224.db2.gz HRWLRGPETPVJTK-OAHLLOKOSA-N 1 0 443.179 4.222 20 0 IIADRO OC[C@]1([NH2+]Cc2cc(-c3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001460422105 1126191250 /nfs/dbraw/zinc/19/12/50/1126191250.db2.gz JTQCYHNFTBBCJP-NRFANRHFSA-N 1 0 431.305 4.253 20 0 IIADRO OC[C@@]1([NH2+]Cc2sccc2Br)CCc2cc(Br)ccc2C1 ZINC001461632057 1126195417 /nfs/dbraw/zinc/19/54/17/1126195417.db2.gz WPTMYZHHKWLNSA-MRXNPFEDSA-N 1 0 431.193 4.283 20 0 IIADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)ccc1Br ZINC001474225178 1126202780 /nfs/dbraw/zinc/20/27/80/1126202780.db2.gz VYWMOSAVEMJSTF-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(I)cc1Cl ZINC001560182325 1126208316 /nfs/dbraw/zinc/20/83/16/1126208316.db2.gz BVKMSIKCPLWJCZ-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(F)cc2Br)CCc2cc(Br)ccc2C1 ZINC001560532421 1126211759 /nfs/dbraw/zinc/21/17/59/1126211759.db2.gz JYZPXHLBDONNRL-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001560975886 1126214580 /nfs/dbraw/zinc/21/45/80/1126214580.db2.gz LOFQUNSGVKJNGX-IBGZPJMESA-N 1 0 425.747 4.311 20 0 IIADRO CCOC(=O)Nc1ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC001620624696 1126241772 /nfs/dbraw/zinc/24/17/72/1126241772.db2.gz CTFCQBFCNUVVGQ-HSZRJFAPSA-N 1 0 444.915 4.098 20 0 IIADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC(C)C ZINC001621004568 1126244190 /nfs/dbraw/zinc/24/41/90/1126244190.db2.gz BTLARTYHGPVBIS-JOCHJYFZSA-N 1 0 434.374 4.255 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CC[C@H]54)c23)c1 ZINC001164412294 718876027 /nfs/dbraw/zinc/87/60/27/718876027.db2.gz VITLMLFNBBAYEV-DLBZAZTESA-N 1 0 425.627 4.346 20 0 IIADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413298 718881803 /nfs/dbraw/zinc/88/18/03/718881803.db2.gz GTLIACMYOZPEKV-GFCCVEGCSA-N 1 0 442.816 4.025 20 0 IIADRO C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCC3)N1CCCCC1 ZINC001164419411 718911128 /nfs/dbraw/zinc/91/11/28/718911128.db2.gz ADVSFCRTZFENBQ-UHFFFAOYSA-N 1 0 425.646 4.278 20 0 IIADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164423287 718945092 /nfs/dbraw/zinc/94/50/92/718945092.db2.gz GUTTZZLIFMCWGU-NHCUHLMSSA-N 1 0 433.625 4.370 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164617393 719007784 /nfs/dbraw/zinc/00/77/84/719007784.db2.gz NVLKDXIRDHDBLC-KXBFYZLASA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164619379 719008805 /nfs/dbraw/zinc/00/88/05/719008805.db2.gz VWLRWXXKWFYCQB-KUHUBIRLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)CC1 ZINC001164617399 719026734 /nfs/dbraw/zinc/02/67/34/719026734.db2.gz KUQGAUYEEOZHTF-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)CC1 ZINC001164618567 719030586 /nfs/dbraw/zinc/03/05/86/719030586.db2.gz YRYFAISPAWPYES-UHFFFAOYSA-N 1 0 441.963 4.008 20 0 IIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629152 719083094 /nfs/dbraw/zinc/08/30/94/719083094.db2.gz WAHSPHWUTOKWGL-JKSUJKDBSA-N 1 0 435.355 4.061 20 0 IIADRO COc1ccc(OC)c(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164622298 719103332 /nfs/dbraw/zinc/10/33/32/719103332.db2.gz BROUMYALJZRZOA-GBXCKJPGSA-N 1 0 430.552 4.262 20 0 IIADRO C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H](C)CN1C ZINC001164643238 719229529 /nfs/dbraw/zinc/22/95/29/719229529.db2.gz YKGQTLMEKIQFCL-MOPGFXCFSA-N 1 0 441.019 4.285 20 0 IIADRO Cc1ccc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683420 719656003 /nfs/dbraw/zinc/65/60/03/719656003.db2.gz VIEYUMYGUQBJNI-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO Cc1nc(C(C)C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685271 719658404 /nfs/dbraw/zinc/65/84/04/719658404.db2.gz YYIQBGZRLVLZAI-NRFANRHFSA-N 1 0 449.643 4.002 20 0 IIADRO Cc1cc2c(ccnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC001164685504 719679306 /nfs/dbraw/zinc/67/93/06/719679306.db2.gz VEVSQJMVGJWXOS-FQEVSTJZSA-N 1 0 446.595 4.230 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)N(C)C(C)C)c3C2)nc1 ZINC001164695590 719788308 /nfs/dbraw/zinc/78/83/08/719788308.db2.gz NAWGNKVIFZXRSA-FQEVSTJZSA-N 1 0 425.577 4.050 20 0 IIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCC[C@H](C)C4)ncn2)CC3)cs1 ZINC001164693935 719815140 /nfs/dbraw/zinc/81/51/40/719815140.db2.gz ZIQKVJGACAAQPE-SFHVURJKSA-N 1 0 426.634 4.113 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164702070 719836835 /nfs/dbraw/zinc/83/68/35/719836835.db2.gz NOANPTKKIIPMQI-DEOSSOPVSA-N 1 0 448.611 4.421 20 0 IIADRO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164702824 719885835 /nfs/dbraw/zinc/88/58/35/719885835.db2.gz RECIJMPGWRCYBE-UHFFFAOYSA-N 1 0 444.988 4.225 20 0 IIADRO CSc1nc2ccsc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694672 719891351 /nfs/dbraw/zinc/89/13/51/719891351.db2.gz BZKJINDWRQXTCB-UHFFFAOYSA-N 1 0 432.640 4.346 20 0 IIADRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2ccsc2)n1 ZINC001164707902 719899721 /nfs/dbraw/zinc/89/97/21/719899721.db2.gz YRFDLWVCDDBMQP-UHFFFAOYSA-N 1 0 426.611 4.446 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164711615 720093820 /nfs/dbraw/zinc/09/38/20/720093820.db2.gz RRFOVMQOYXEOSK-QHCPKHFHSA-N 1 0 446.595 4.454 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164716190 720114411 /nfs/dbraw/zinc/11/44/11/720114411.db2.gz JKNUJIIDOQJVNF-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164713523 720144268 /nfs/dbraw/zinc/14/42/68/720144268.db2.gz RGWCZTKLJDIHBX-HSZRJFAPSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164714806 720149671 /nfs/dbraw/zinc/14/96/71/720149671.db2.gz ZIMCHZBWVCYOMK-JOCHJYFZSA-N 1 0 445.567 4.171 20 0 IIADRO CCc1nc2sccc2c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711288 720149833 /nfs/dbraw/zinc/14/98/33/720149833.db2.gz GZWKFYRACZRNJP-LJQANCHMSA-N 1 0 437.613 4.156 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817908 720152406 /nfs/dbraw/zinc/15/24/06/720152406.db2.gz QRQXLCIIUYJHAP-NTKDMRAZSA-N 1 0 440.613 4.176 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164713052 720154786 /nfs/dbraw/zinc/15/47/86/720154786.db2.gz PNONWBKZEFIGSA-QHCPKHFHSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816844 720171583 /nfs/dbraw/zinc/17/15/83/720171583.db2.gz NEBNKFQVERWRDY-GAJHUEQPSA-N 1 0 446.954 4.246 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813841 720230166 /nfs/dbraw/zinc/23/01/66/720230166.db2.gz PYFHUWIWXGJRKN-UHFFFAOYSA-N 1 0 431.993 4.065 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826580 720309177 /nfs/dbraw/zinc/30/91/77/720309177.db2.gz VSDZACRQKWVKCD-NHCUHLMSSA-N 1 0 426.992 4.108 20 0 IIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164724712 720376252 /nfs/dbraw/zinc/37/62/52/720376252.db2.gz LCQGAAYNKUIZAR-RPWUZVMVSA-N 1 0 434.547 4.454 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729414 720419504 /nfs/dbraw/zinc/41/95/04/720419504.db2.gz HJZJDQSMEJPNSZ-LOSJGSFVSA-N 1 0 442.563 4.432 20 0 IIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726897 720444792 /nfs/dbraw/zinc/44/47/92/720444792.db2.gz CGFFSTSJMBTVGM-RTBURBONSA-N 1 0 425.895 4.310 20 0 IIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732046 720477305 /nfs/dbraw/zinc/47/73/05/720477305.db2.gz YIPIAFBWSHIOHR-ZWKOTPCHSA-N 1 0 425.895 4.310 20 0 IIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164729545 720479120 /nfs/dbraw/zinc/47/91/20/720479120.db2.gz RNQFBVZYBQCOCV-VQTJNVASSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164728839 720517737 /nfs/dbraw/zinc/51/77/37/720517737.db2.gz MAMLGMCRVCOAQV-INIZCTEOSA-N 1 0 447.917 4.221 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1 ZINC001164731699 720529566 /nfs/dbraw/zinc/52/95/66/720529566.db2.gz ABCHYLAXUZUHEF-OAHLLOKOSA-N 1 0 449.908 4.481 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nnc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838965 720546686 /nfs/dbraw/zinc/54/66/86/720546686.db2.gz PESZVLUPIAUHDP-PCCBWWKXSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1C ZINC001164834024 720565436 /nfs/dbraw/zinc/56/54/36/720565436.db2.gz CGBIRMGYWIDJLR-WOIUINJBSA-N 1 0 439.007 4.474 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837636 720652992 /nfs/dbraw/zinc/65/29/92/720652992.db2.gz DQEFEVSIYHNYIH-NJDAHSKKSA-N 1 0 439.991 4.471 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164843387 720685987 /nfs/dbraw/zinc/68/59/87/720685987.db2.gz PCIHSAJKNAHIPW-LJQANCHMSA-N 1 0 426.992 4.269 20 0 IIADRO CSc1nc2c(c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n1)CCCC2 ZINC001164844461 720687785 /nfs/dbraw/zinc/68/77/85/720687785.db2.gz SDOHXVRSOZQACT-HXUWFJFHSA-N 1 0 438.641 4.337 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746958 720821953 /nfs/dbraw/zinc/82/19/53/720821953.db2.gz ZRVXTIFFJCJSAE-CNNODRBYSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754309 720868132 /nfs/dbraw/zinc/86/81/32/720868132.db2.gz RBSLLLIGNZMSLE-PXDATVDWSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755787 720873946 /nfs/dbraw/zinc/87/39/46/720873946.db2.gz YXJOMTMRKHSAMX-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853000 720875575 /nfs/dbraw/zinc/87/55/75/720875575.db2.gz BCCVSGHIIYSQFQ-QFQXNSOFSA-N 1 0 447.579 4.084 20 0 IIADRO Cc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748411 720880168 /nfs/dbraw/zinc/88/01/68/720880168.db2.gz DQXFMICVFNKZEP-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO c1cc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2s1 ZINC001164751597 720895868 /nfs/dbraw/zinc/89/58/68/720895868.db2.gz COSIGAVQCGOTAQ-RCZVLFRGSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164752284 720908834 /nfs/dbraw/zinc/90/88/34/720908834.db2.gz NVJKYFFMUHZTJB-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755158 720927549 /nfs/dbraw/zinc/92/75/49/720927549.db2.gz ZEILMWAETYSFBP-SQHAQQRYSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@@H]2C ZINC001164854867 720928244 /nfs/dbraw/zinc/92/82/44/720928244.db2.gz GKJOPHGROJNQTK-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@H]2C ZINC001164862565 720974937 /nfs/dbraw/zinc/97/49/37/720974937.db2.gz TUSXSHAZQUGSIU-HNNXBMFYSA-N 1 0 433.984 4.308 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@H]2C ZINC001164859899 720980437 /nfs/dbraw/zinc/98/04/37/720980437.db2.gz MXUWTHYFXBOHDG-AWEZNQCLSA-N 1 0 445.930 4.074 20 0 IIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864896 721015252 /nfs/dbraw/zinc/01/52/52/721015252.db2.gz ZZOJPBNDABKSRC-INIZCTEOSA-N 1 0 425.968 4.118 20 0 IIADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759863 721044854 /nfs/dbraw/zinc/04/48/54/721044854.db2.gz RAXZXMNAVBIBNE-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO Fc1ccc(F)c2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164867866 721190900 /nfs/dbraw/zinc/19/09/00/721190900.db2.gz ITGCIXCODQMQQV-HZPDHXFCSA-N 1 0 430.886 4.041 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868853 721196117 /nfs/dbraw/zinc/19/61/17/721196117.db2.gz OGEYTZZPBZCJCY-MOPGFXCFSA-N 1 0 434.918 4.032 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772324 721223069 /nfs/dbraw/zinc/22/30/69/721223069.db2.gz SCQXCLKUHARBPN-ROUUACIJSA-N 1 0 431.918 4.125 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772325 721223714 /nfs/dbraw/zinc/22/37/14/721223714.db2.gz SCQXCLKUHARBPN-ZWKOTPCHSA-N 1 0 431.918 4.125 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878857 721260117 /nfs/dbraw/zinc/26/01/17/721260117.db2.gz VTMMUMUSWGULBI-YKSBVNFPSA-N 1 0 427.976 4.414 20 0 IIADRO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCC3)N1CCCCC1 ZINC001164768891 721297362 /nfs/dbraw/zinc/29/73/62/721297362.db2.gz JMMKHNYRLJECCI-UHFFFAOYSA-N 1 0 437.657 4.088 20 0 IIADRO Cc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778473 721329669 /nfs/dbraw/zinc/32/96/69/721329669.db2.gz XIOCVDZQXAVYRZ-URXFXBBRSA-N 1 0 426.992 4.298 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779368 721347592 /nfs/dbraw/zinc/34/75/92/721347592.db2.gz SRBFUTOOMCBRAY-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO O=C1C[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884691 721355037 /nfs/dbraw/zinc/35/50/37/721355037.db2.gz WGJCKXQCOUIKOX-GOTSBHOMSA-N 1 0 430.577 4.086 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885103 721409537 /nfs/dbraw/zinc/40/95/37/721409537.db2.gz FMQLEXCWTQUMPY-OFVILXPXSA-N 1 0 441.019 4.167 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164786913 721458272 /nfs/dbraw/zinc/45/82/72/721458272.db2.gz QMVWXFBMHAJZID-NRFANRHFSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164782709 721460354 /nfs/dbraw/zinc/46/03/54/721460354.db2.gz BCYYAJACNKJZQZ-FQEVSTJZSA-N 1 0 427.564 4.108 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164889720 721470512 /nfs/dbraw/zinc/47/05/12/721470512.db2.gz IDZUFTZIMCQUCS-XUZZJYLKSA-N 1 0 446.599 4.073 20 0 IIADRO CSc1nc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164795716 721497776 /nfs/dbraw/zinc/49/77/76/721497776.db2.gz KJVHUVKZLLCCDS-UHFFFAOYSA-N 1 0 426.615 4.084 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164795405 721502274 /nfs/dbraw/zinc/50/22/74/721502274.db2.gz GHNAHACBIGHQCP-UHFFFAOYSA-N 1 0 440.595 4.303 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164796520 721524886 /nfs/dbraw/zinc/52/48/86/721524886.db2.gz ZKIMPZFUSZKBEW-KCZVDYSFSA-N 1 0 426.923 4.291 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@@H+]3C2)c1 ZINC001164907615 721527002 /nfs/dbraw/zinc/52/70/02/721527002.db2.gz NQJQJFBKFVQSSB-WMZOPIPTSA-N 1 0 448.876 4.309 20 0 IIADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903378 721550201 /nfs/dbraw/zinc/55/02/01/721550201.db2.gz CGPPRJIJNXLSOF-FUHWJXTLSA-N 1 0 429.927 4.147 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907552 721559234 /nfs/dbraw/zinc/55/92/34/721559234.db2.gz OJLRZHJKLHZGLK-NFBKMPQASA-N 1 0 434.515 4.023 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@@H+]3C2)c1 ZINC001164910806 721559491 /nfs/dbraw/zinc/55/94/91/721559491.db2.gz XLDZYQMUSARKGQ-IEBWSBKVSA-N 1 0 442.897 4.417 20 0 IIADRO FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906312 721584313 /nfs/dbraw/zinc/58/43/13/721584313.db2.gz ZXLGWHOWMNPBKW-SFHVURJKSA-N 1 0 428.861 4.413 20 0 IIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907409 721584535 /nfs/dbraw/zinc/58/45/35/721584535.db2.gz SHXOPGVWMKPBLE-SFHVURJKSA-N 1 0 443.876 4.116 20 0 IIADRO FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906159 721694465 /nfs/dbraw/zinc/69/44/65/721694465.db2.gz LXDQJVJNVZZGQP-IBGZPJMESA-N 1 0 435.931 4.477 20 0 IIADRO FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908328 721696467 /nfs/dbraw/zinc/69/64/67/721696467.db2.gz YKCNMHCQAHPHDH-SFHVURJKSA-N 1 0 444.860 4.292 20 0 IIADRO FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906132 721698180 /nfs/dbraw/zinc/69/81/80/721698180.db2.gz LTLPLKMALJOGPJ-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908918 721708137 /nfs/dbraw/zinc/70/81/37/721708137.db2.gz ZMGLYOJCYVTQKM-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913966 721737641 /nfs/dbraw/zinc/73/76/41/721737641.db2.gz ZSTXCDPLPHLDSA-NRFANRHFSA-N 1 0 433.934 4.142 20 0 IIADRO Cc1sc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1-c1ccccc1 ZINC001165010554 721744987 /nfs/dbraw/zinc/74/49/87/721744987.db2.gz OMBZSAQTBNYYLT-UHFFFAOYSA-N 1 0 449.624 4.190 20 0 IIADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165017025 721767275 /nfs/dbraw/zinc/76/72/75/721767275.db2.gz ZLXBXIMBUHWFEO-UHFFFAOYSA-N 1 0 433.871 4.475 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]21 ZINC001165027268 721799608 /nfs/dbraw/zinc/79/96/08/721799608.db2.gz VCUZNPFFBSPSOS-FRFSOERESA-N 1 0 431.371 4.397 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@H]21 ZINC001165026890 721807125 /nfs/dbraw/zinc/80/71/25/721807125.db2.gz SAQGFJHKBYTNKY-SZVBFZGTSA-N 1 0 427.980 4.027 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028225 721811636 /nfs/dbraw/zinc/81/16/36/721811636.db2.gz WSENLEGRKPHJDZ-DZFGPLHGSA-N 1 0 442.991 4.352 20 0 IIADRO COc1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165026400 721816564 /nfs/dbraw/zinc/81/65/64/721816564.db2.gz PTLCXHVNOMOJTJ-IEIRFRATSA-N 1 0 432.568 4.384 20 0 IIADRO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)c1C ZINC001165024788 721817223 /nfs/dbraw/zinc/81/72/23/721817223.db2.gz KPBRSLUNNZYLMT-WDSOQIARSA-N 1 0 435.950 4.424 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028975 721818202 /nfs/dbraw/zinc/81/82/02/721818202.db2.gz YIAYOUMWDYXRMN-BPUDTRNYSA-N 1 0 430.552 4.153 20 0 IIADRO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165023520 721819070 /nfs/dbraw/zinc/81/90/70/721819070.db2.gz HNBAIGILJKNLKY-WDJPJFJCSA-N 1 0 445.567 4.409 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165029662 721827756 /nfs/dbraw/zinc/82/77/56/721827756.db2.gz XKSOSDHJEIJEFG-QTJGBDASSA-N 1 0 428.584 4.287 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)s1 ZINC001165027467 721828475 /nfs/dbraw/zinc/82/84/75/721828475.db2.gz SEBZAALRQMKDEM-CZTZKLFOSA-N 1 0 434.613 4.349 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)s1 ZINC001165027471 721828509 /nfs/dbraw/zinc/82/85/09/721828509.db2.gz SEBZAALRQMKDEM-DWLFOUALSA-N 1 0 434.613 4.349 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]21 ZINC001165024013 721828786 /nfs/dbraw/zinc/82/87/86/721828786.db2.gz JHICGENIYLMUQL-CEMLEFRQSA-N 1 0 430.556 4.141 20 0 IIADRO CCCSc1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165020742 721831259 /nfs/dbraw/zinc/83/12/59/721831259.db2.gz DOVFGXVDQKGQQE-DFQSSKMNSA-N 1 0 427.618 4.119 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3sc(C)nc32)CC1 ZINC001165022011 721841516 /nfs/dbraw/zinc/84/15/16/721841516.db2.gz MGPBTUVQCNLKPT-UHFFFAOYSA-N 1 0 447.992 4.166 20 0 IIADRO COc1ccccc1-c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023007 721843919 /nfs/dbraw/zinc/84/39/19/721843919.db2.gz WAKTWDOJOCQDQS-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(SC)nc(SC)n2)CC1 ZINC001165031028 721845144 /nfs/dbraw/zinc/84/51/44/721845144.db2.gz OUGZMTGYUXBFPN-UHFFFAOYSA-N 1 0 434.631 4.038 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929250 721879093 /nfs/dbraw/zinc/87/90/93/721879093.db2.gz AWAVGJCEEBSSQJ-OALUTQOASA-N 1 0 428.005 4.226 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929540 721879639 /nfs/dbraw/zinc/87/96/39/721879639.db2.gz BQHDMIHJEDBOCX-SJORKVTESA-N 1 0 439.654 4.123 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933021 721885638 /nfs/dbraw/zinc/88/56/38/721885638.db2.gz KVGKIPUPECEKDS-RPBOFIJWSA-N 1 0 429.568 4.151 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164935129 721887115 /nfs/dbraw/zinc/88/71/15/721887115.db2.gz WMBUSMXMFOVAJX-MOPGFXCFSA-N 1 0 436.934 4.041 20 0 IIADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)C3)co1 ZINC001164930183 721901122 /nfs/dbraw/zinc/90/11/22/721901122.db2.gz IZGWHUSUJFRYPU-YKSBVNFPSA-N 1 0 431.536 4.488 20 0 IIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164938286 721914211 /nfs/dbraw/zinc/91/42/11/721914211.db2.gz ZTLWVYUQMSTYOY-KDURUIRLSA-N 1 0 434.565 4.220 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)cc1 ZINC001164939586 721932452 /nfs/dbraw/zinc/93/24/52/721932452.db2.gz MQUDNCGVTAZKSV-UHFFFAOYSA-N 1 0 445.567 4.189 20 0 IIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048369 721969099 /nfs/dbraw/zinc/96/90/99/721969099.db2.gz OXYBRSQDXRLGCL-INIZCTEOSA-N 1 0 442.938 4.087 20 0 IIADRO Clc1ccc(-c2nc3c(c(N4CC[NH+](CCc5ccccn5)CC4)n2)CCC3)s1 ZINC001165055723 722018689 /nfs/dbraw/zinc/01/86/89/722018689.db2.gz TZZCZWODKYCAEJ-UHFFFAOYSA-N 1 0 425.989 4.107 20 0 IIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955463 722018997 /nfs/dbraw/zinc/01/89/97/722018997.db2.gz HSQOAMMJVJVBOV-UHFFFAOYSA-N 1 0 442.007 4.105 20 0 IIADRO Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963371 722058455 /nfs/dbraw/zinc/05/84/55/722058455.db2.gz XPJUWIKUCXFLRF-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1 ZINC001164965826 722066817 /nfs/dbraw/zinc/06/68/17/722066817.db2.gz PEZCHHWTXAXTCF-FQEVSTJZSA-N 1 0 441.645 4.076 20 0 IIADRO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975540 722107405 /nfs/dbraw/zinc/10/74/05/722107405.db2.gz CHZBJQCYCLTIDP-UYAOXDASSA-N 1 0 437.613 4.111 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971858 722121469 /nfs/dbraw/zinc/12/14/69/722121469.db2.gz CUWIOTYJZTYVGS-GDBMZVCRSA-N 1 0 427.763 4.164 20 0 IIADRO Clc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983310 722132260 /nfs/dbraw/zinc/13/22/60/722132260.db2.gz TXBGJIIHRRJLDA-KKSFZXQISA-N 1 0 444.366 4.059 20 0 IIADRO Cc1cccc(Sc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981787 722135069 /nfs/dbraw/zinc/13/50/69/722135069.db2.gz QLODRBAFNFMXIS-GGAORHGYSA-N 1 0 447.608 4.059 20 0 IIADRO Fc1cccc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977898 722155481 /nfs/dbraw/zinc/15/54/81/722155481.db2.gz ZDWREODKQGXMOG-UTKZUKDTSA-N 1 0 426.923 4.150 20 0 IIADRO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995734 722199589 /nfs/dbraw/zinc/19/95/89/722199589.db2.gz XMAUECWOZCPSBP-RUZDIDTESA-N 1 0 434.515 4.191 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CCC2 ZINC001164999950 722252926 /nfs/dbraw/zinc/25/29/26/722252926.db2.gz JTHHVKKFCMJNKL-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO Cc1sc2[nH]c(C[NH2+]C3(CO)Cc4ccccc4C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000510225704 1126095443 /nfs/dbraw/zinc/09/54/43/1126095443.db2.gz YXEXCMNGNVFLAU-UHFFFAOYSA-N 1 0 431.561 4.300 20 0 IIADRO COc1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c2ccccc21 ZINC001171948637 1126148643 /nfs/dbraw/zinc/14/86/43/1126148643.db2.gz AMYOFGHHNYZCRD-JOCHJYFZSA-N 1 0 427.342 4.016 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2)CCc2cc(Br)ccc2C1 ZINC001171948632 1126148733 /nfs/dbraw/zinc/14/87/33/1126148733.db2.gz AKRJJUMLFKBRAP-GOSISDBHSA-N 1 0 425.164 4.221 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001175706467 1126149127 /nfs/dbraw/zinc/14/91/27/1126149127.db2.gz FVVZZXKUFJRVPV-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cccc2C1 ZINC001176588224 1126149779 /nfs/dbraw/zinc/14/97/79/1126149779.db2.gz RZRAUKIUUTXYGN-RUZDIDTESA-N 1 0 428.548 4.202 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC001176599777 1126150270 /nfs/dbraw/zinc/15/02/70/1126150270.db2.gz QRXDYMSJBWMCDV-AREMUKBSSA-N 1 0 434.536 4.039 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867468 1126151358 /nfs/dbraw/zinc/15/13/58/1126151358.db2.gz GZPBMSZHLBQNDQ-YADHBBJMSA-N 1 0 442.600 4.148 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC ZINC001198230457 1126155903 /nfs/dbraw/zinc/15/59/03/1126155903.db2.gz QSPDSJBWROXVBF-SANMLTNESA-N 1 0 439.552 4.325 20 0 IIADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1Br ZINC001202024723 1126156905 /nfs/dbraw/zinc/15/69/05/1126156905.db2.gz FWQCNMZGXKAUOR-MAUKXSAKSA-N 1 0 440.353 4.271 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Br)ccc1Br ZINC001203282422 1126158016 /nfs/dbraw/zinc/15/80/16/1126158016.db2.gz HJAWSRPZIXRMMO-GOSISDBHSA-N 1 0 443.179 4.304 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)cc(Br)c2)cc1 ZINC001203581265 1126158822 /nfs/dbraw/zinc/15/88/22/1126158822.db2.gz KVCQRYWSQVMAPI-GOSISDBHSA-N 1 0 443.179 4.304 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001203580085 1126158862 /nfs/dbraw/zinc/15/88/62/1126158862.db2.gz HFJSNESQLUDSFE-XMMPIXPASA-N 1 0 446.613 4.133 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001308114969 1126163218 /nfs/dbraw/zinc/16/32/18/1126163218.db2.gz SATICLMZMOYFQW-QFIPXVFZSA-N 1 0 432.973 4.467 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001308117677 1126163538 /nfs/dbraw/zinc/16/35/38/1126163538.db2.gz KRFWKAUXZAGVJC-SFHVURJKSA-N 1 0 432.280 4.474 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001308117849 1126163673 /nfs/dbraw/zinc/16/36/73/1126163673.db2.gz NKAHSKMYFHQJSC-SFHVURJKSA-N 1 0 432.280 4.474 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001308119019 1126164332 /nfs/dbraw/zinc/16/43/32/1126164332.db2.gz XZBXLQJKYMGDNT-SFHVURJKSA-N 1 0 443.172 4.487 20 0 IIADRO Cc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(C)cc1I ZINC001308263862 1126164610 /nfs/dbraw/zinc/16/46/10/1126164610.db2.gz HQONXNMBNUZAFG-KRWDZBQOSA-N 1 0 434.321 4.083 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2F)CCc2cc(Br)ccc2C1 ZINC001308466069 1126166207 /nfs/dbraw/zinc/16/62/07/1126166207.db2.gz ZSTFCQBLSYPMKX-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc2)n1 ZINC001460424872 1126191075 /nfs/dbraw/zinc/19/10/75/1126191075.db2.gz UXBJHTFWYLCCBC-QHCPKHFHSA-N 1 0 440.385 4.261 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCc2cc(Br)ccc2C1 ZINC001474208366 1126202509 /nfs/dbraw/zinc/20/25/09/1126202509.db2.gz BUIQFWUJFYPPEX-OAQYLSRUSA-N 1 0 433.296 4.285 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc2C1 ZINC001474226772 1126203177 /nfs/dbraw/zinc/20/31/77/1126203177.db2.gz IHZWJASPGSHXLW-HSZRJFAPSA-N 1 0 434.577 4.264 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc(Br)c1OC(F)F ZINC001560442760 1126211001 /nfs/dbraw/zinc/21/10/01/1126211001.db2.gz YJECFLJMQLMASY-MRXNPFEDSA-N 1 0 444.316 4.451 20 0 IIADRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC001560615765 1126213855 /nfs/dbraw/zinc/21/38/55/1126213855.db2.gz ZTIVUZSIVBAPLT-IFMALSPDSA-N 1 0 425.326 4.171 20 0 IIADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC001621022245 1126244546 /nfs/dbraw/zinc/24/45/46/1126244546.db2.gz OPCMBMLTDCJQRQ-KRWDZBQOSA-N 1 0 446.158 4.016 20 0 IIADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC(C)C ZINC001621004569 1126244172 /nfs/dbraw/zinc/24/41/72/1126244172.db2.gz BTLARTYHGPVBIS-QFIPXVFZSA-N 1 0 434.374 4.255 20 0 IIADRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001621004729 1126244204 /nfs/dbraw/zinc/24/42/04/1126244204.db2.gz HUFHQTXVAXTJLD-HSZRJFAPSA-N 1 0 440.385 4.261 20 0 IIADRO COc1cc(C[NH2+]CCCn2ccnc2)cc(Br)c1OCc1ccccc1 ZINC000010313990 556330480 /nfs/dbraw/zinc/33/04/80/556330480.db2.gz POUBLVVHVXDMOO-UHFFFAOYSA-N 1 0 430.346 4.413 20 0 IIADRO Fc1ccc2nc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)nc(Cl)c2c1 ZINC001164389807 718814787 /nfs/dbraw/zinc/81/47/87/718814787.db2.gz ZIGRWOUMSFWLCS-CQSZACIVSA-N 1 0 438.803 4.478 20 0 IIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164418153 718894217 /nfs/dbraw/zinc/89/42/17/718894217.db2.gz BOIRJKGMSREPBZ-IBGZPJMESA-N 1 0 428.621 4.041 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164614223 719006928 /nfs/dbraw/zinc/00/69/28/719006928.db2.gz DJKNFYQKXVXNJT-LIRRHRJNSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)CC1 ZINC001164614064 719022991 /nfs/dbraw/zinc/02/29/91/719022991.db2.gz MJKGJCCQVIGPSY-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)CC1 ZINC001164617425 719029955 /nfs/dbraw/zinc/02/99/55/719029955.db2.gz LVARYHDMNAZZDF-UHFFFAOYSA-N 1 0 440.922 4.005 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC2)CC1 ZINC001164618116 719033366 /nfs/dbraw/zinc/03/33/66/719033366.db2.gz SHLZFASLYIYCTJ-UHFFFAOYSA-N 1 0 446.954 4.180 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc4cc(F)c(OC)cc43)CC2)CC1 ZINC001164618661 719035771 /nfs/dbraw/zinc/03/57/71/719035771.db2.gz XQPJRRUZMSNFHD-UHFFFAOYSA-N 1 0 449.954 4.280 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619069 719066925 /nfs/dbraw/zinc/06/69/25/719066925.db2.gz CGJRAGXDDLHLQW-AEFFLSMTSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627942 719070145 /nfs/dbraw/zinc/07/01/45/719070145.db2.gz RLQGTJHBMUNMMU-VQIMIIECSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627935 719070166 /nfs/dbraw/zinc/07/01/66/719070166.db2.gz RLQGTJHBMUNMMU-LPHOPBHVSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621034 719079105 /nfs/dbraw/zinc/07/91/05/719079105.db2.gz GLKICGUHCQUPCT-NQIIRXRSSA-N 1 0 436.943 4.171 20 0 IIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]2CF)CC1 ZINC001164619561 719123605 /nfs/dbraw/zinc/12/36/05/719123605.db2.gz FGZQKJUIXSYLGQ-CRAIPNDOSA-N 1 0 425.882 4.372 20 0 IIADRO Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670302 719445089 /nfs/dbraw/zinc/44/50/89/719445089.db2.gz NTWQOVBCFHOTGZ-PMACEKPBSA-N 1 0 443.576 4.248 20 0 IIADRO CCc1ccc(Oc2nc(Cl)ncc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683282 719651913 /nfs/dbraw/zinc/65/19/13/719651913.db2.gz UZSBANIVFYOYDW-UHFFFAOYSA-N 1 0 440.979 4.156 20 0 IIADRO Fc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164694859 719890788 /nfs/dbraw/zinc/89/07/88/719890788.db2.gz FPZQKEGLSKVOSH-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164710297 720101068 /nfs/dbraw/zinc/10/10/68/720101068.db2.gz IHTHBXDJYOCVPZ-HXUWFJFHSA-N 1 0 437.613 4.211 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164711697 720104747 /nfs/dbraw/zinc/10/47/47/720104747.db2.gz SRBKQCXQSORQCJ-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813904 720110716 /nfs/dbraw/zinc/11/07/16/720110716.db2.gz RPIUFLGVZYIMBC-AJTFRIOCSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164718039 720121780 /nfs/dbraw/zinc/12/17/80/720121780.db2.gz QPDAVAXQGHTZIB-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164718591 720124559 /nfs/dbraw/zinc/12/45/59/720124559.db2.gz SYBULGIAESZUTM-QFIPXVFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164718583 720125326 /nfs/dbraw/zinc/12/53/26/720125326.db2.gz STJKJIFIAQQNLK-LJQANCHMSA-N 1 0 425.964 4.070 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809697 720136334 /nfs/dbraw/zinc/13/63/34/720136334.db2.gz IGNREWGLIYUVCY-GHTZIAJQSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164712228 720141569 /nfs/dbraw/zinc/14/15/69/720141569.db2.gz LGILGIQWBAIZBR-HSZRJFAPSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164713051 720154615 /nfs/dbraw/zinc/15/46/15/720154615.db2.gz PNONWBKZEFIGSA-HSZRJFAPSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164712420 720158264 /nfs/dbraw/zinc/15/82/64/720158264.db2.gz GMFHTCDEZUTFQS-OAQYLSRUSA-N 1 0 446.599 4.128 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818225 720180549 /nfs/dbraw/zinc/18/05/49/720180549.db2.gz SHXXLGYIFFXSOO-JPYJTQIMSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818227 720181407 /nfs/dbraw/zinc/18/14/07/720181407.db2.gz SHXXLGYIFFXSOO-WZONZLPQSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813387 720197554 /nfs/dbraw/zinc/19/75/54/720197554.db2.gz PDIFETDXSTXNET-CYFREDJKSA-N 1 0 442.991 4.415 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810785 720197601 /nfs/dbraw/zinc/19/76/01/720197601.db2.gz CPNISAWEXRPCCG-CYFREDJKSA-N 1 0 442.991 4.415 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(SCc3ccccc3)ccn1)CCC2 ZINC001164814485 720239940 /nfs/dbraw/zinc/23/99/40/720239940.db2.gz VCYDBHYIVCXFFC-UHFFFAOYSA-N 1 0 449.624 4.181 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(Cl)ccc(Cl)c3n1)CCC2 ZINC001164817337 720244583 /nfs/dbraw/zinc/24/45/83/720244583.db2.gz PZPKHPZWVFIGHD-UHFFFAOYSA-N 1 0 446.382 4.349 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816818 720259546 /nfs/dbraw/zinc/25/95/46/720259546.db2.gz MYHUHLAXBIYAJQ-BHIFYINESA-N 1 0 439.629 4.163 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826583 720309291 /nfs/dbraw/zinc/30/92/91/720309291.db2.gz VSDZACRQKWVKCD-RTWAWAEBSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001164830778 720317274 /nfs/dbraw/zinc/31/72/74/720317274.db2.gz PVLGNLOUZASBFQ-VXKWHMMOSA-N 1 0 439.003 4.314 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001164828337 720350914 /nfs/dbraw/zinc/35/09/14/720350914.db2.gz OGSKXLMGRHGDKI-UXHICEINSA-N 1 0 447.410 4.453 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(C3CCCCC3)n2)CC1 ZINC001164824979 720352206 /nfs/dbraw/zinc/35/22/06/720352206.db2.gz IIQQOSNWDUTCOL-SFTDATJTSA-N 1 0 446.039 4.089 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3c(F)ccc(F)c23)CC1 ZINC001164830554 720354708 /nfs/dbraw/zinc/35/47/08/720354708.db2.gz WATFELOQIOUBFS-ROUUACIJSA-N 1 0 448.945 4.078 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730281 720457561 /nfs/dbraw/zinc/45/75/61/720457561.db2.gz JEJPNSSYUMXGSJ-GIWBLDEGSA-N 1 0 439.922 4.173 20 0 IIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164729547 720479343 /nfs/dbraw/zinc/47/93/43/720479343.db2.gz RNQFBVZYBQCOCV-WOJBJXKFSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1 ZINC001164729343 720513129 /nfs/dbraw/zinc/51/31/29/720513129.db2.gz MNZWZVHAGSQZLY-CYBMUJFWSA-N 1 0 440.325 4.481 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)C1 ZINC001164726099 720518294 /nfs/dbraw/zinc/51/82/94/720518294.db2.gz AOWIXGMJEGIVOL-QGZVFWFLSA-N 1 0 432.959 4.345 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1 ZINC001164734589 720523790 /nfs/dbraw/zinc/52/37/90/720523790.db2.gz QXTLTHBKYIFZKF-HNNXBMFYSA-N 1 0 438.988 4.406 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]21 ZINC001164838474 720545514 /nfs/dbraw/zinc/54/55/14/720545514.db2.gz OAQZBJUYPKVHFG-GJYPPUQNSA-N 1 0 448.949 4.336 20 0 IIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728106 720561165 /nfs/dbraw/zinc/56/11/65/720561165.db2.gz JNEPXCKHXUDNTJ-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]21 ZINC001164840738 720567500 /nfs/dbraw/zinc/56/75/00/720567500.db2.gz SRPRATADLFWYMO-MSYCTHLASA-N 1 0 436.991 4.371 20 0 IIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736326 720574273 /nfs/dbraw/zinc/57/42/73/720574273.db2.gz IPWOKRZHOVYOKZ-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(OCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840097 720580101 /nfs/dbraw/zinc/58/01/01/720580101.db2.gz OZXRVBWXSAJPFP-KMDXXIMOSA-N 1 0 431.584 4.235 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164841018 720678705 /nfs/dbraw/zinc/67/87/05/720678705.db2.gz GWMSMEUUDPXICD-QGZVFWFLSA-N 1 0 431.005 4.137 20 0 IIADRO COC(=O)c1ccc2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841072 720682638 /nfs/dbraw/zinc/68/26/38/720682638.db2.gz HMAAZTBFLJVCMK-QHCPKHFHSA-N 1 0 445.563 4.281 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)s1 ZINC001164841697 720722907 /nfs/dbraw/zinc/72/29/07/720722907.db2.gz VYPDNRHPKXRCPD-NRFANRHFSA-N 1 0 449.624 4.477 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744585 720819001 /nfs/dbraw/zinc/81/90/01/720819001.db2.gz VHVYFIUQBQAZKH-SQWLQELKSA-N 1 0 441.794 4.013 20 0 IIADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741660 720828050 /nfs/dbraw/zinc/82/80/50/720828050.db2.gz OARKKHAFAARZBZ-RJGXRXQPSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164750706 720885131 /nfs/dbraw/zinc/88/51/31/720885131.db2.gz BPOLQNRFJJAOIG-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO CC(C)Oc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758168 720894440 /nfs/dbraw/zinc/89/44/40/720894440.db2.gz XIXDLPKQRPNPPD-JYFHCDHNSA-N 1 0 436.600 4.019 20 0 IIADRO CSc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164747173 720906212 /nfs/dbraw/zinc/90/62/12/720906212.db2.gz BZALKGXSNDVNCY-DHLKQENFSA-N 1 0 438.641 4.262 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755112 720918789 /nfs/dbraw/zinc/91/87/89/720918789.db2.gz YKEYEUQDBRMFNS-YIXXDRMTSA-N 1 0 449.643 4.233 20 0 IIADRO Cc1cc2cccnc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753809 720927584 /nfs/dbraw/zinc/92/75/84/720927584.db2.gz UDGZMMXKEZQLJB-SQHAQQRYSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164862366 720969061 /nfs/dbraw/zinc/96/90/61/720969061.db2.gz RZAUHJUBVNTEOO-LJQANCHMSA-N 1 0 429.572 4.098 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)o2)cc1 ZINC001164860407 721005284 /nfs/dbraw/zinc/00/52/84/721005284.db2.gz NZRPWGLCYANJIK-KRWDZBQOSA-N 1 0 431.544 4.211 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@@H]2C ZINC001164857299 721018888 /nfs/dbraw/zinc/01/88/88/721018888.db2.gz CLUMZGNHSUZNDU-QGZVFWFLSA-N 1 0 440.979 4.327 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@H]2C ZINC001164859510 721019492 /nfs/dbraw/zinc/01/94/92/721019492.db2.gz IUZPXHVRNGGFQG-LBPRGKRZSA-N 1 0 434.318 4.431 20 0 IIADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865460 721076346 /nfs/dbraw/zinc/07/63/46/721076346.db2.gz LLRIGQZORBRNNQ-PKTZIBPZSA-N 1 0 437.547 4.172 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772229 721112819 /nfs/dbraw/zinc/11/28/19/721112819.db2.gz UNAVBKOTMZRMGA-ZWKOTPCHSA-N 1 0 431.918 4.125 20 0 IIADRO c1cc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cs1 ZINC001164877030 721149709 /nfs/dbraw/zinc/14/97/09/721149709.db2.gz OARNFTGJGGXRFV-NHCUHLMSSA-N 1 0 443.576 4.233 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765000 721163894 /nfs/dbraw/zinc/16/38/94/721163894.db2.gz HKBOLDKQGITXQO-JKSUJKDBSA-N 1 0 446.382 4.242 20 0 IIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872040 721175658 /nfs/dbraw/zinc/17/56/58/721175658.db2.gz GETOCQOSWUJPIU-DLBZAZTESA-N 1 0 445.901 4.096 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)nc1 ZINC001164873700 721315586 /nfs/dbraw/zinc/31/55/86/721315586.db2.gz AFQOVBSTLVCQHF-MZURWIMNSA-N 1 0 436.600 4.476 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889964 721410321 /nfs/dbraw/zinc/41/03/21/721410321.db2.gz RXPMQVFQAIMMHD-DHLKQENFSA-N 1 0 441.019 4.167 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(C[NH+]4CCCC4)cn2)CCO3)cs1 ZINC001164784758 721445091 /nfs/dbraw/zinc/44/50/91/721445091.db2.gz QOEOBGIYJPDPCO-URXFXBBRSA-N 1 0 442.629 4.035 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897895 721446205 /nfs/dbraw/zinc/44/62/05/721446205.db2.gz VBTFDYUNFDFJAL-UZUQRXQVSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164786446 721450119 /nfs/dbraw/zinc/45/01/19/721450119.db2.gz MNMSDZXCSOMMDQ-SFHVURJKSA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164786435 721450392 /nfs/dbraw/zinc/45/03/92/721450392.db2.gz MNMSDZXCSOMMDQ-GOSISDBHSA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164786866 721458588 /nfs/dbraw/zinc/45/85/88/721458588.db2.gz QCFPNWDTZSBEHE-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164889718 721470515 /nfs/dbraw/zinc/47/05/15/721470515.db2.gz IDZUFTZIMCQUCS-URXFXBBRSA-N 1 0 446.599 4.073 20 0 IIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792980 721493206 /nfs/dbraw/zinc/49/32/06/721493206.db2.gz XCZCLOJUJSJXBD-UHFFFAOYSA-N 1 0 442.991 4.496 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164791419 721495152 /nfs/dbraw/zinc/49/51/52/721495152.db2.gz COOUQELMIQQNIR-UHFFFAOYSA-N 1 0 442.991 4.496 20 0 IIADRO COC(=O)c1cc(Cl)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164797036 721502948 /nfs/dbraw/zinc/50/29/48/721502948.db2.gz XVLBPYFNAXUHKJ-UHFFFAOYSA-N 1 0 428.964 4.106 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895613 721505363 /nfs/dbraw/zinc/50/53/63/721505363.db2.gz DFWHUHQUVYUYKC-GOTSBHOMSA-N 1 0 433.600 4.056 20 0 IIADRO COc1cccc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794550 721525725 /nfs/dbraw/zinc/52/57/25/721525725.db2.gz FSNQFHHNQRSFHK-WWEVIYMKSA-N 1 0 438.959 4.160 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@@H+]3C2)c1 ZINC001164907609 721526829 /nfs/dbraw/zinc/52/68/29/721526829.db2.gz NQJQJFBKFVQSSB-AEFFLSMTSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@@H+]3C2)c1 ZINC001164907611 721527250 /nfs/dbraw/zinc/52/72/50/721527250.db2.gz NQJQJFBKFVQSSB-FUHWJXTLSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908142 721528893 /nfs/dbraw/zinc/52/88/93/721528893.db2.gz PCNBLLASWALOSG-DZGCQCFKSA-N 1 0 434.849 4.042 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807160 721548344 /nfs/dbraw/zinc/54/83/44/721548344.db2.gz PQQJIFPSVQMGLZ-UZKOGDIHSA-N 1 0 444.366 4.200 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164905934 721562589 /nfs/dbraw/zinc/56/25/89/721562589.db2.gz IDEYYXPXYFEJDC-MJGOQNOKSA-N 1 0 447.539 4.234 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164905936 721562791 /nfs/dbraw/zinc/56/27/91/721562791.db2.gz IDEYYXPXYFEJDC-PKOBYXMFSA-N 1 0 447.539 4.234 20 0 IIADRO FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913978 721729475 /nfs/dbraw/zinc/72/94/75/721729475.db2.gz ZVUMXDDFNWNISW-DEOSSOPVSA-N 1 0 435.522 4.200 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]21 ZINC001165027270 721799792 /nfs/dbraw/zinc/79/97/92/721799792.db2.gz VCUZNPFFBSPSOS-UKPHBRMFSA-N 1 0 431.371 4.397 20 0 IIADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165027677 721809727 /nfs/dbraw/zinc/80/97/27/721809727.db2.gz VNDCCGZCHCLAEK-BGWNEDDSSA-N 1 0 430.552 4.153 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165025123 721811136 /nfs/dbraw/zinc/81/11/36/721811136.db2.gz LLGNILCOXZUBSE-KVSKMBFKSA-N 1 0 436.934 4.420 20 0 IIADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165024197 721814849 /nfs/dbraw/zinc/81/48/49/721814849.db2.gz JOPPFYKTCYOXIL-XKGZKEIXSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]21 ZINC001165027777 721815221 /nfs/dbraw/zinc/81/52/21/721815221.db2.gz VXTUILDEQGNKGD-AJSBUHFISA-N 1 0 440.035 4.463 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021669 721815316 /nfs/dbraw/zinc/81/53/16/721815316.db2.gz FXBCECOXXZQING-WMQCIHAUSA-N 1 0 442.991 4.352 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@@H]21 ZINC001165027667 721816133 /nfs/dbraw/zinc/81/61/33/721816133.db2.gz VMHQOKFCKXTULV-IEZKXTBUSA-N 1 0 429.568 4.188 20 0 IIADRO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)c1C ZINC001165024784 721817051 /nfs/dbraw/zinc/81/70/51/721817051.db2.gz KPBRSLUNNZYLMT-UHOSZYNNSA-N 1 0 435.950 4.424 20 0 IIADRO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165023519 721818784 /nfs/dbraw/zinc/81/87/84/721818784.db2.gz HNBAIGILJKNLKY-IGKWTDBASA-N 1 0 445.567 4.409 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026812 721819443 /nfs/dbraw/zinc/81/94/43/721819443.db2.gz RMIZSVHYPDFKDM-QXAKKESOSA-N 1 0 439.995 4.193 20 0 IIADRO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165026796 721820182 /nfs/dbraw/zinc/82/01/82/721820182.db2.gz RDWZWRDSXHMEQX-HQRMLTQVSA-N 1 0 428.964 4.044 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165026781 721823544 /nfs/dbraw/zinc/82/35/44/721823544.db2.gz QGSSBCXLQBCUML-GVXSCFBNSA-N 1 0 447.627 4.086 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]21 ZINC001165024433 721825940 /nfs/dbraw/zinc/82/59/40/721825940.db2.gz JVQAVYVCBJFCPQ-UWWQBHOKSA-N 1 0 446.933 4.288 20 0 IIADRO COc1ccccc1-c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165021271 721843621 /nfs/dbraw/zinc/84/36/21/721843621.db2.gz KHSYKJKVOWRNBR-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931235 721856343 /nfs/dbraw/zinc/85/63/43/721856343.db2.gz UJSRPRKFZBQDGA-YADHBBJMSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927443 721864263 /nfs/dbraw/zinc/86/42/63/721864263.db2.gz VRDVCLZTFWRFBP-VXKWHMMOSA-N 1 0 449.002 4.074 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929538 721879492 /nfs/dbraw/zinc/87/94/92/721879492.db2.gz BQHDMIHJEDBOCX-IRXDYDNUSA-N 1 0 439.654 4.123 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164935908 721885409 /nfs/dbraw/zinc/88/54/09/721885409.db2.gz YGHUBMRPNRVFOM-WOJBJXKFSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(C)n4)CC3)C2)cc1 ZINC001164940424 721922903 /nfs/dbraw/zinc/92/29/03/721922903.db2.gz QCWKAQRBJMPTBA-UHFFFAOYSA-N 1 0 436.934 4.163 20 0 IIADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nccnc2C2SCCCS2)CC3)c1 ZINC001164953596 722015701 /nfs/dbraw/zinc/01/57/01/722015701.db2.gz VONRKWCTNOZXTP-UHFFFAOYSA-N 1 0 427.643 4.233 20 0 IIADRO Clc1nc2c(Cl)nccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164956219 722021090 /nfs/dbraw/zinc/02/10/90/722021090.db2.gz YVXUELVZHIDVAZ-UHFFFAOYSA-N 1 0 429.355 4.219 20 0 IIADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963224 722057569 /nfs/dbraw/zinc/05/75/69/722057569.db2.gz JCGXGWPMJVACDF-UHFFFAOYSA-N 1 0 436.934 4.102 20 0 IIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984741 722099476 /nfs/dbraw/zinc/09/94/76/722099476.db2.gz UHTQXVFDDFEHOJ-UWJYYQICSA-N 1 0 426.923 4.150 20 0 IIADRO COc1cccc2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981566 722099944 /nfs/dbraw/zinc/09/99/44/722099944.db2.gz LSSRHDXTSINODO-AVRDEDQJSA-N 1 0 438.959 4.019 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982253 722135630 /nfs/dbraw/zinc/13/56/30/722135630.db2.gz RLMBEUTZWUNEJP-DENIHFKCSA-N 1 0 430.980 4.036 20 0 IIADRO Fc1cccc2cc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971230 722158849 /nfs/dbraw/zinc/15/88/49/722158849.db2.gz BDWXJBXRMUBYQZ-ICSRJNTNSA-N 1 0 426.923 4.150 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997449 722210458 /nfs/dbraw/zinc/21/04/58/722210458.db2.gz QGDGLMQQQVYXMW-AREMUKBSSA-N 1 0 429.543 4.411 20 0 IIADRO CCCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000604766536 1126100443 /nfs/dbraw/zinc/10/04/43/1126100443.db2.gz DRZSACYSJDHDHD-KRWDZBQOSA-N 1 0 447.373 4.421 20 0 IIADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000800238815 1126110620 /nfs/dbraw/zinc/11/06/20/1126110620.db2.gz JQNDKWYKCHQHSD-CABCVRRESA-N 1 0 431.480 4.114 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(Br)cc2)CCc2cc(Br)ccc2C1 ZINC001171948633 1126148702 /nfs/dbraw/zinc/14/87/02/1126148702.db2.gz AKRJJUMLFKBRAP-SFHVURJKSA-N 1 0 425.164 4.221 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001197304418 1126154349 /nfs/dbraw/zinc/15/43/49/1126154349.db2.gz LZWDCGACGXSTFP-XMMPIXPASA-N 1 0 435.549 4.156 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1C ZINC001178868811 1126151331 /nfs/dbraw/zinc/15/13/31/1126151331.db2.gz WAQZUGPZWZQXOK-SANMLTNESA-N 1 0 426.564 4.303 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001179277165 1126151695 /nfs/dbraw/zinc/15/16/95/1126151695.db2.gz AYMCCNHJOFAEFX-AREMUKBSSA-N 1 0 440.584 4.072 20 0 IIADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277631 1126151732 /nfs/dbraw/zinc/15/17/32/1126151732.db2.gz KJRCFCIMLPNJQC-UQBPGWFLSA-N 1 0 446.563 4.060 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001179278651 1126152088 /nfs/dbraw/zinc/15/20/88/1126152088.db2.gz WDQGRUJYIHIISR-DEOSSOPVSA-N 1 0 446.613 4.133 20 0 IIADRO OC[C@@]1([NH2+]Cc2cc(F)ccc2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001196103342 1126153501 /nfs/dbraw/zinc/15/35/01/1126153501.db2.gz DGKRNLXRSZQGJW-LJQANCHMSA-N 1 0 430.264 4.199 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@@](C)(CO)Cc4ccc(F)cc4)cc3)nc12 ZINC001203283113 1126158245 /nfs/dbraw/zinc/15/82/45/1126158245.db2.gz OVPWJVNURONZDN-AREMUKBSSA-N 1 0 433.527 4.444 20 0 IIADRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001203283751 1126158360 /nfs/dbraw/zinc/15/83/60/1126158360.db2.gz UXPASBZIRNNDDP-QFIPXVFZSA-N 1 0 428.374 4.335 20 0 IIADRO CCOc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1O ZINC001206660398 1126159646 /nfs/dbraw/zinc/15/96/46/1126159646.db2.gz COWZVZUCHKHUCT-HXUWFJFHSA-N 1 0 440.765 4.216 20 0 IIADRO Cc1ccc(-c2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cs2)o1 ZINC001307929072 1126162005 /nfs/dbraw/zinc/16/20/05/1126162005.db2.gz KZLRDBZZWUJCFG-FQEVSTJZSA-N 1 0 433.371 4.484 20 0 IIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC001308391384 1126165641 /nfs/dbraw/zinc/16/56/41/1126165641.db2.gz MLGCASDWMCAEPJ-QHCPKHFHSA-N 1 0 431.511 4.380 20 0 IIADRO OC[C@@]1([NH2+]Cc2cnc(CC(F)(F)F)s2)CCc2cc(Br)ccc2C1 ZINC001308465075 1126166105 /nfs/dbraw/zinc/16/61/05/1126166105.db2.gz UURMOBBYSXHLHZ-MRXNPFEDSA-N 1 0 435.309 4.020 20 0 IIADRO COc1ccc(OCc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001308494402 1126167336 /nfs/dbraw/zinc/16/73/36/1126167336.db2.gz JBNXGPURFGFXEI-QFIPXVFZSA-N 1 0 432.973 4.467 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC001461433984 1126194587 /nfs/dbraw/zinc/19/45/87/1126194587.db2.gz UIHVXGZFZYXSIA-FQEVSTJZSA-N 1 0 428.374 4.253 20 0 IIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001460421957 1126191220 /nfs/dbraw/zinc/19/12/20/1126191220.db2.gz IUONXGDGMZMPKF-INIZCTEOSA-N 1 0 435.309 4.242 20 0 IIADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cc2)cc1 ZINC001473839415 1126199887 /nfs/dbraw/zinc/19/98/87/1126199887.db2.gz ARTWYPPRDKQCJQ-XMMPIXPASA-N 1 0 427.541 4.050 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473840195 1126200684 /nfs/dbraw/zinc/20/06/84/1126200684.db2.gz SGOYOUHHMDNTEC-OAQYLSRUSA-N 1 0 430.321 4.129 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998739 1126201188 /nfs/dbraw/zinc/20/11/88/1126201188.db2.gz KJKSUUIVWUDGDV-OFNKIYASSA-N 1 0 446.469 4.293 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC001474227061 1126203358 /nfs/dbraw/zinc/20/33/58/1126203358.db2.gz OZJFRUYXEIYYME-FQEVSTJZSA-N 1 0 440.765 4.347 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC001560182094 1126208432 /nfs/dbraw/zinc/20/84/32/1126208432.db2.gz ABYSMFBLDPTCFL-HXUWFJFHSA-N 1 0 440.765 4.347 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)ccc1OC(F)F ZINC001560548306 1126212139 /nfs/dbraw/zinc/21/21/39/1126212139.db2.gz JVYBEMBHZWOWLZ-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001621022190 1126244319 /nfs/dbraw/zinc/24/43/19/1126244319.db2.gz MRQVHVFXLYQOQU-GOSISDBHSA-N 1 0 443.179 4.304 20 0 IIADRO CCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000020476845 520591634 /nfs/dbraw/zinc/59/16/34/520591634.db2.gz GGHFKEOQHMFUQK-INIZCTEOSA-N 1 0 429.152 4.434 20 0 IIADRO C[C@@H](O)C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474593 556335816 /nfs/dbraw/zinc/33/58/16/556335816.db2.gz XOQVYTZENRBBFW-GFCCVEGCSA-N 1 0 429.152 4.261 20 0 IIADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164387575 718813345 /nfs/dbraw/zinc/81/33/45/718813345.db2.gz IKGNSZGDHBBVBT-INIZCTEOSA-N 1 0 431.625 4.069 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CCC12CC[NH2+]CC2 ZINC001164388496 718814960 /nfs/dbraw/zinc/81/49/60/718814960.db2.gz ORUFZHFKWNPZMC-INIZCTEOSA-N 1 0 447.839 4.248 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(-c3ccco3)nnc2Cl)CCC12CC[NH2+]CC2 ZINC001164387816 718815377 /nfs/dbraw/zinc/81/53/77/718815377.db2.gz ITQUPHGULHDCKN-HNNXBMFYSA-N 1 0 436.812 4.446 20 0 IIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164388257 718815518 /nfs/dbraw/zinc/81/55/18/718815518.db2.gz NZNAAHPQIQAFMC-QZTJIDSGSA-N 1 0 444.860 4.435 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423145 718945602 /nfs/dbraw/zinc/94/56/02/718945602.db2.gz FQCSRAIHGKWLRR-LEWJYISDSA-N 1 0 445.636 4.242 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC[C@@H]5[NH2+]C[C@H]54)c23)c1 ZINC001164448272 719000345 /nfs/dbraw/zinc/00/03/45/719000345.db2.gz GRCNPXUUOCNPNJ-DLBZAZTESA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc4c(Cl)ccnc43)CC2)CC1 ZINC001164614282 719025870 /nfs/dbraw/zinc/02/58/70/719025870.db2.gz QWLCPQLOOVEAQA-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618791 719047541 /nfs/dbraw/zinc/04/75/41/719047541.db2.gz BQIMKCJLLFWFEX-XMSQKQJNSA-N 1 0 441.913 4.320 20 0 IIADRO c1ccc(CN2CCc3ncnc(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@H]54)c3C2)cc1 ZINC001164629086 719061917 /nfs/dbraw/zinc/06/19/17/719061917.db2.gz VLSJEFQZMJZSEL-RPLLCQBOSA-N 1 0 439.607 4.136 20 0 IIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@@H]3C2)cc1 ZINC001164622284 719103717 /nfs/dbraw/zinc/10/37/17/719103717.db2.gz BPUZZBJZTZIGDD-ISKFKSNPSA-N 1 0 442.563 4.406 20 0 IIADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164622596 719122521 /nfs/dbraw/zinc/12/25/21/719122521.db2.gz PMNFLEQKKUJDLY-AEFFLSMTSA-N 1 0 443.636 4.069 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4ccccc4cn3)CC2)c2ccccc21 ZINC001164683382 719661812 /nfs/dbraw/zinc/66/18/12/719661812.db2.gz VEGTYAZLEPDFFL-HSZRJFAPSA-N 1 0 442.607 4.328 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cs1 ZINC001164693496 719815670 /nfs/dbraw/zinc/81/56/70/719815670.db2.gz VOOAQZGQEDSCAI-UHFFFAOYSA-N 1 0 436.585 4.409 20 0 IIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)c1 ZINC001164696107 719889906 /nfs/dbraw/zinc/88/99/06/719889906.db2.gz XIQLCXFJEXRYEN-UHFFFAOYSA-N 1 0 448.683 4.278 20 0 IIADRO CSc1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164707514 719906173 /nfs/dbraw/zinc/90/61/73/719906173.db2.gz SJJXYOIAUJGSNB-UHFFFAOYSA-N 1 0 426.611 4.285 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815798 720076953 /nfs/dbraw/zinc/07/69/53/720076953.db2.gz ZRDXBNPJBUBBCN-IERDGZPVSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164712100 720101152 /nfs/dbraw/zinc/10/11/52/720101152.db2.gz VLLVRQBTWHCXMO-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164717338 720121512 /nfs/dbraw/zinc/12/15/12/720121512.db2.gz NGHTXRZMVWFBRJ-FQEVSTJZSA-N 1 0 449.624 4.254 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164712170 720153304 /nfs/dbraw/zinc/15/33/04/720153304.db2.gz KQEYHXFMUIEFEJ-HXUWFJFHSA-N 1 0 444.023 4.464 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812969 720156979 /nfs/dbraw/zinc/15/69/79/720156979.db2.gz BCBPBYZMIQOTFY-HOFKKMOUSA-N 1 0 449.595 4.028 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816845 720172131 /nfs/dbraw/zinc/17/21/31/720172131.db2.gz NEBNKFQVERWRDY-HXOBKFHXSA-N 1 0 446.954 4.246 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3cc(Cl)ccc31)CCC2 ZINC001164812816 720218554 /nfs/dbraw/zinc/21/85/54/720218554.db2.gz JEMZYLONIMSQAF-UHFFFAOYSA-N 1 0 446.382 4.349 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812948 720226968 /nfs/dbraw/zinc/22/69/68/720226968.db2.gz KWJRJWJIVTUOIC-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729411 720418124 /nfs/dbraw/zinc/41/81/24/720418124.db2.gz HJZJDQSMEJPNSZ-JWQCQUIFSA-N 1 0 442.563 4.432 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725755 720428371 /nfs/dbraw/zinc/42/83/71/720428371.db2.gz AXMTXOXXAFRHLU-RPWUZVMVSA-N 1 0 428.536 4.092 20 0 IIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164735723 720436970 /nfs/dbraw/zinc/43/69/70/720436970.db2.gz YCEWAZLJROIKRZ-MSOLQXFVSA-N 1 0 425.895 4.310 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001164732122 720514035 /nfs/dbraw/zinc/51/40/35/720514035.db2.gz YPIRUFZJXFYDTM-QGZVFWFLSA-N 1 0 432.959 4.345 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)C1 ZINC001164734015 720531682 /nfs/dbraw/zinc/53/16/82/720531682.db2.gz FXMXSGPGWUUWNW-INIZCTEOSA-N 1 0 447.917 4.221 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839625 720542205 /nfs/dbraw/zinc/54/22/05/720542205.db2.gz QWPFUXIAYLBMLL-KGVIQGDOSA-N 1 0 439.991 4.471 20 0 IIADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728108 720562051 /nfs/dbraw/zinc/56/20/51/720562051.db2.gz JOAJWKVKZAEEHD-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840730 720569495 /nfs/dbraw/zinc/56/94/95/720569495.db2.gz SRKLHTDTXQRSFB-SFHLNBCPSA-N 1 0 430.556 4.259 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]21 ZINC001164835209 720584922 /nfs/dbraw/zinc/58/49/22/720584922.db2.gz AOHVHHFHJIMNBM-SQNIBIBYSA-N 1 0 448.949 4.336 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840753 720588441 /nfs/dbraw/zinc/58/84/41/720588441.db2.gz QOQICCMDPNRFAS-QHAWAJNXSA-N 1 0 449.603 4.003 20 0 IIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164842889 720600142 /nfs/dbraw/zinc/60/01/42/720600142.db2.gz WFEMKFJFGZFAJY-WSTZPKSXSA-N 1 0 436.629 4.063 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843603 720613189 /nfs/dbraw/zinc/61/31/89/720613189.db2.gz YMIAAHWBEUZAIQ-UNWVZKJWSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3OCc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839513 720621956 /nfs/dbraw/zinc/62/19/56/720621956.db2.gz NVYFTKPSTKUMRV-YFNKSVMNSA-N 1 0 449.574 4.374 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164839218 720622447 /nfs/dbraw/zinc/62/24/47/720622447.db2.gz MJSRFKYMCDXAKP-OTNCWRBYSA-N 1 0 446.599 4.117 20 0 IIADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837779 720637454 /nfs/dbraw/zinc/63/74/54/720637454.db2.gz JJGRACVEXXMSGD-DCLXLUIPSA-N 1 0 434.563 4.165 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164838246 720652347 /nfs/dbraw/zinc/65/23/47/720652347.db2.gz GTVHDABGUAEXJG-FIKGOQFSSA-N 1 0 449.977 4.343 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164841015 720678758 /nfs/dbraw/zinc/67/87/58/720678758.db2.gz GWMSMEUUDPXICD-KRWDZBQOSA-N 1 0 431.005 4.137 20 0 IIADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164842120 720739417 /nfs/dbraw/zinc/73/94/17/720739417.db2.gz CPQIKZFUUPQKGT-UHFFFAOYSA-N 1 0 432.302 4.062 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164845139 720779626 /nfs/dbraw/zinc/77/96/26/720779626.db2.gz FCYUATAEMUHGEE-VPBXCIAMSA-N 1 0 436.600 4.367 20 0 IIADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741648 720827926 /nfs/dbraw/zinc/82/79/26/720827926.db2.gz OARKKHAFAARZBZ-DNVJHFABSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164753000 720879880 /nfs/dbraw/zinc/87/98/80/720879880.db2.gz OGAWSEYLRCTOGX-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747196 720880594 /nfs/dbraw/zinc/88/05/94/720880594.db2.gz ALCXYBYVDUUVIS-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747194 720880966 /nfs/dbraw/zinc/88/09/66/720880966.db2.gz ALCXYBYVDUUVIS-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO Fc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758131 720887864 /nfs/dbraw/zinc/88/78/64/720887864.db2.gz WZYDWKOCGWSANF-WMZHIEFXSA-N 1 0 430.955 4.024 20 0 IIADRO Cc1csc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754646 720903704 /nfs/dbraw/zinc/90/37/04/720903704.db2.gz WQMIOPQPLSFJCJ-OFVILXPXSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1cc2ccncc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755156 720927894 /nfs/dbraw/zinc/92/78/94/720927894.db2.gz ZEILMWAETYSFBP-RPLLCQBOSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@@H]2C ZINC001164858678 720935131 /nfs/dbraw/zinc/93/51/31/720935131.db2.gz JVVPCZSKFZLRIG-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767626 721097013 /nfs/dbraw/zinc/09/70/13/721097013.db2.gz MNZJSPYKMDALAS-WOJBJXKFSA-N 1 0 430.581 4.050 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771004 721100129 /nfs/dbraw/zinc/10/01/29/721100129.db2.gz QVPINARJVROTDN-NWDGAFQWSA-N 1 0 435.186 4.387 20 0 IIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866650 721114073 /nfs/dbraw/zinc/11/40/73/721114073.db2.gz UNHVTTFRYXEDQE-MOPGFXCFSA-N 1 0 444.913 4.308 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772226 721114162 /nfs/dbraw/zinc/11/41/62/721114162.db2.gz UNAVBKOTMZRMGA-MSOLQXFVSA-N 1 0 431.918 4.125 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768137 721114498 /nfs/dbraw/zinc/11/44/98/721114498.db2.gz NJLUAEQGXWOLKD-ZWKOTPCHSA-N 1 0 431.918 4.125 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872113 721168318 /nfs/dbraw/zinc/16/83/18/721168318.db2.gz GRWOIPVGPGEUBH-LEWJYISDSA-N 1 0 449.986 4.289 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772323 721223053 /nfs/dbraw/zinc/22/30/53/721223053.db2.gz SCQXCLKUHARBPN-QZTJIDSGSA-N 1 0 431.918 4.125 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878850 721259993 /nfs/dbraw/zinc/25/99/93/721259993.db2.gz VTMMUMUSWGULBI-HYBUGGRVSA-N 1 0 427.976 4.414 20 0 IIADRO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCCC3)N1CCCC1 ZINC001164769669 721298529 /nfs/dbraw/zinc/29/85/29/721298529.db2.gz LAFHNKJBKNOTJH-UHFFFAOYSA-N 1 0 437.657 4.088 20 0 IIADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774356 721303165 /nfs/dbraw/zinc/30/31/65/721303165.db2.gz AGYGNUNOVIMTNM-UHFFFAOYSA-N 1 0 432.959 4.176 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776129 721327659 /nfs/dbraw/zinc/32/76/59/721327659.db2.gz CSSXZVICMZGRJZ-UNMCSNQZSA-N 1 0 440.563 4.370 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776992 721338376 /nfs/dbraw/zinc/33/83/76/721338376.db2.gz JKPGZPSRHQYRQK-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1csc2nc(C)nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164783031 721369907 /nfs/dbraw/zinc/36/99/07/721369907.db2.gz OXKHFTWWWDEIIQ-HSZRJFAPSA-N 1 0 441.601 4.032 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885105 721409820 /nfs/dbraw/zinc/40/98/20/721409820.db2.gz FMQLEXCWTQUMPY-PXDATVDWSA-N 1 0 441.019 4.167 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889975 721410385 /nfs/dbraw/zinc/41/03/85/721410385.db2.gz RXPMQVFQAIMMHD-RDGATRHJSA-N 1 0 441.019 4.167 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(C[N@@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785062 721445025 /nfs/dbraw/zinc/44/50/25/721445025.db2.gz RLGMVRKJSLQYTB-RDPSFJRHSA-N 1 0 442.629 4.033 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164788526 721464353 /nfs/dbraw/zinc/46/43/53/721464353.db2.gz TVMKYGBUPSWFNG-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164897006 721474186 /nfs/dbraw/zinc/47/41/86/721474186.db2.gz ZGNUPFQPGOVCGQ-DEOSSOPVSA-N 1 0 432.612 4.430 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901985 721490525 /nfs/dbraw/zinc/49/05/25/721490525.db2.gz XWSVFRHSIXKCHW-FYYLOGMGSA-N 1 0 440.632 4.063 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164792280 721493297 /nfs/dbraw/zinc/49/32/97/721493297.db2.gz MVBCVJNMSVJBLO-UHFFFAOYSA-N 1 0 427.980 4.171 20 0 IIADRO COc1cc2nc(C)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164792598 721495464 /nfs/dbraw/zinc/49/54/64/721495464.db2.gz RWRKQALWAOAXSK-UHFFFAOYSA-N 1 0 447.583 4.231 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164805840 721567489 /nfs/dbraw/zinc/56/74/89/721567489.db2.gz PCGKNDJLVYRFKR-QNWVGRARSA-N 1 0 438.959 4.160 20 0 IIADRO FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906150 721582889 /nfs/dbraw/zinc/58/28/89/721582889.db2.gz ZDDKLSTWJIYUOK-SFHVURJKSA-N 1 0 428.861 4.413 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@@H]12 ZINC001164802634 721590668 /nfs/dbraw/zinc/59/06/68/721590668.db2.gz HKZUCHLLXXFUET-GEQKSPFYSA-N 1 0 444.913 4.430 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799989 721592170 /nfs/dbraw/zinc/59/21/70/721592170.db2.gz BBKZOMKWCABDPK-NHCICSSKSA-N 1 0 438.959 4.160 20 0 IIADRO FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907064 721697850 /nfs/dbraw/zinc/69/78/50/721697850.db2.gz QVDWJSYCGPGWPJ-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913143 721727909 /nfs/dbraw/zinc/72/79/09/721727909.db2.gz UJILRRKVRDLPKU-OAQYLSRUSA-N 1 0 433.934 4.449 20 0 IIADRO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914001 721728966 /nfs/dbraw/zinc/72/89/66/721728966.db2.gz ZZBBEHWCKVDXFF-QHCPKHFHSA-N 1 0 439.510 4.080 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024655 721798493 /nfs/dbraw/zinc/79/84/93/721798493.db2.gz MPTRQNQCDOKFAO-PWIZWCRZSA-N 1 0 428.964 4.044 20 0 IIADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027413 721809230 /nfs/dbraw/zinc/80/92/30/721809230.db2.gz URLUUYFVJVKLSH-TUACAJSNSA-N 1 0 430.552 4.153 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165022665 721814886 /nfs/dbraw/zinc/81/48/86/721814886.db2.gz GLGAIHHDWIPAQI-USXIJHARSA-N 1 0 428.993 4.180 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028977 721817810 /nfs/dbraw/zinc/81/78/10/721817810.db2.gz YIAYOUMWDYXRMN-KWOQKUFVSA-N 1 0 430.552 4.153 20 0 IIADRO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1Cl ZINC001165026799 721820482 /nfs/dbraw/zinc/82/04/82/721820482.db2.gz RDWZWRDSXHMEQX-XKGZKEIXSA-N 1 0 428.964 4.044 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 ZINC001165026320 721822561 /nfs/dbraw/zinc/82/25/61/721822561.db2.gz OUISPOFZCRGSMW-UWDQQESISA-N 1 0 442.611 4.362 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165029753 721825529 /nfs/dbraw/zinc/82/55/29/721825529.db2.gz XPOCCTGRYPRVLN-KWOQKUFVSA-N 1 0 430.552 4.153 20 0 IIADRO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncn2)cc1 ZINC001165021500 721825593 /nfs/dbraw/zinc/82/55/93/721825593.db2.gz FWQCLJXGMMQIEX-OPHFCASCSA-N 1 0 429.568 4.284 20 0 IIADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2)n1 ZINC001165027511 721827566 /nfs/dbraw/zinc/82/75/66/721827566.db2.gz SMKDVOSMTYMRNV-KSEOMHKRSA-N 1 0 432.572 4.387 20 0 IIADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001165026340 721828033 /nfs/dbraw/zinc/82/80/33/721828033.db2.gz OWUIBOPKHREHTI-JKFKMHIGSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]21 ZINC001165024032 721831934 /nfs/dbraw/zinc/83/19/34/721831934.db2.gz JIQALNLZMBOLGU-XUEUYAKLSA-N 1 0 430.531 4.382 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3[nH]cc(C)c32)CC1 ZINC001165019242 721839903 /nfs/dbraw/zinc/83/99/03/721839903.db2.gz AXPOMDWFWMWHKD-UHFFFAOYSA-N 1 0 429.952 4.038 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3ccc(Cl)nc3cn2)CC1 ZINC001165020353 721841566 /nfs/dbraw/zinc/84/15/66/721841566.db2.gz CRXXPNJXSOLIKG-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COC(=O)c1cc2ccccc2c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023230 721843787 /nfs/dbraw/zinc/84/37/87/721843787.db2.gz YXBAUNIBLXKDOV-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934615 721877874 /nfs/dbraw/zinc/87/78/74/721877874.db2.gz SRCAIFHXKXMWBS-RBUKOAKNSA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164935906 721885366 /nfs/dbraw/zinc/88/53/66/721885366.db2.gz YGHUBMRPNRVFOM-UXHICEINSA-N 1 0 438.925 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164935131 721886972 /nfs/dbraw/zinc/88/69/72/721886972.db2.gz WMBUSMXMFOVAJX-RBUKOAKNSA-N 1 0 436.934 4.041 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccccn5)n4)CC3)C2)cc1 ZINC001164938677 721930255 /nfs/dbraw/zinc/93/02/55/721930255.db2.gz DKBCCQZSBRQSGZ-UHFFFAOYSA-N 1 0 429.568 4.027 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5nc(C(C)C)no5)ccn4)CC3)C2)cc1 ZINC001164940237 721932466 /nfs/dbraw/zinc/93/24/66/721932466.db2.gz SYEDQYOELZDOGT-UHFFFAOYSA-N 1 0 447.583 4.435 20 0 IIADRO CCOc1cc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1OCC ZINC001164952438 722017726 /nfs/dbraw/zinc/01/77/26/722017726.db2.gz KKCJVTZGFNANOP-UHFFFAOYSA-N 1 0 447.583 4.315 20 0 IIADRO CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)s1 ZINC001164958717 722051939 /nfs/dbraw/zinc/05/19/39/722051939.db2.gz FSLBHEPFOHQRQK-UHFFFAOYSA-N 1 0 437.613 4.329 20 0 IIADRO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963256 722055627 /nfs/dbraw/zinc/05/56/27/722055627.db2.gz KAQTZZJVWDILNS-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164985206 722098148 /nfs/dbraw/zinc/09/81/48/722098148.db2.gz VKWZYPIUUSGVGP-WBJOIXBTSA-N 1 0 433.600 4.174 20 0 IIADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975005 722110353 /nfs/dbraw/zinc/11/03/53/722110353.db2.gz JFBDYWWBKRNOLN-OXQOHEQNSA-N 1 0 444.366 4.059 20 0 IIADRO Cc1cccc(Sc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981795 722134668 /nfs/dbraw/zinc/13/46/68/722134668.db2.gz QLODRBAFNFMXIS-JTHBVZDNSA-N 1 0 447.608 4.059 20 0 IIADRO Clc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979588 722150489 /nfs/dbraw/zinc/15/04/89/722150489.db2.gz LKSHWVQVKWUBKZ-JXFKEZNVSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cccc2cc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971227 722158578 /nfs/dbraw/zinc/15/85/78/722158578.db2.gz BDWXJBXRMUBYQZ-AZUAARDMSA-N 1 0 426.923 4.150 20 0 IIADRO O=C1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc2N1CC1CC1 ZINC001164973018 722161120 /nfs/dbraw/zinc/16/11/20/722161120.db2.gz JYFSHBBSQQNTCM-UHFFFAOYSA-N 1 0 430.596 4.362 20 0 IIADRO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995735 722199888 /nfs/dbraw/zinc/19/98/88/722199888.db2.gz XMAUECWOZCPSBP-VWLOTQADSA-N 1 0 434.515 4.191 20 0 IIADRO COc1cc2nc(C)nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994490 722200051 /nfs/dbraw/zinc/20/00/51/722200051.db2.gz IFFXDHKQCAVCON-RUZDIDTESA-N 1 0 436.531 4.339 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165001718 722248142 /nfs/dbraw/zinc/24/81/42/722248142.db2.gz UBXINQXSMWBSBU-OAQYLSRUSA-N 1 0 446.555 4.217 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3scc(-c4ccccc4)c31)CCC2 ZINC001164999893 722251935 /nfs/dbraw/zinc/25/19/35/722251935.db2.gz IIFXGDBRDQCXMU-UHFFFAOYSA-N 1 0 448.596 4.043 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1-c1ccccc1)CCC2 ZINC001165002260 722253454 /nfs/dbraw/zinc/25/34/54/722253454.db2.gz MLCOYZQROXURIS-UHFFFAOYSA-N 1 0 425.964 4.087 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001176588019 1126149817 /nfs/dbraw/zinc/14/98/17/1126149817.db2.gz QIFIUDWMGATBQK-HSZRJFAPSA-N 1 0 445.401 4.159 20 0 IIADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC001178501025 1126151094 /nfs/dbraw/zinc/15/10/94/1126151094.db2.gz KUJPDUVZBULBEX-MRXNPFEDSA-N 1 0 443.179 4.222 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001179277166 1126151653 /nfs/dbraw/zinc/15/16/53/1126151653.db2.gz AYMCCNHJOFAEFX-SANMLTNESA-N 1 0 440.584 4.072 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001179519792 1126152387 /nfs/dbraw/zinc/15/23/87/1126152387.db2.gz BESAPLSMSQZQNX-QFIPXVFZSA-N 1 0 433.474 4.042 20 0 IIADRO COc1cccc(-c2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)co2)c1 ZINC001196104533 1126153492 /nfs/dbraw/zinc/15/34/92/1126153492.db2.gz NQFLHPHPCFHTON-JOCHJYFZSA-N 1 0 443.341 4.122 20 0 IIADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H](CO)Cc2ccccc2C)cc1Br ZINC001202024725 1126156859 /nfs/dbraw/zinc/15/68/59/1126156859.db2.gz FWQCNMZGXKAUOR-YJBOKZPZSA-N 1 0 440.353 4.271 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001308114968 1126163247 /nfs/dbraw/zinc/16/32/47/1126163247.db2.gz SATICLMZMOYFQW-JOCHJYFZSA-N 1 0 432.973 4.467 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC001308119113 1126164407 /nfs/dbraw/zinc/16/44/07/1126164407.db2.gz YNMSAFSPVPFYSQ-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(Br)cc2F)CCc2cc(Br)ccc2C1 ZINC001308466073 1126166211 /nfs/dbraw/zinc/16/62/11/1126166211.db2.gz ZSTFCQBLSYPMKX-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)ccc1F ZINC001460873082 1126193530 /nfs/dbraw/zinc/19/35/30/1126193530.db2.gz WQGCVXXGPQFXLF-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO OC[C@@]1([NH2+]Cc2cc(-c3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001460422111 1126191143 /nfs/dbraw/zinc/19/11/43/1126191143.db2.gz JTQCYHNFTBBCJP-OAQYLSRUSA-N 1 0 431.305 4.253 20 0 IIADRO OC[C@]1([NH2+]Cc2c(F)cccc2Br)CCc2cc(Br)ccc2C1 ZINC001473641984 1126198364 /nfs/dbraw/zinc/19/83/64/1126198364.db2.gz YSTQNYDNFYECAS-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)cc1OC ZINC001473839556 1126199815 /nfs/dbraw/zinc/19/98/15/1126199815.db2.gz DKISFUFDXLFSAY-JOCHJYFZSA-N 1 0 434.508 4.189 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC001620536881 1126240867 /nfs/dbraw/zinc/24/08/67/1126240867.db2.gz GRAPZXFQTUQADW-XMMPIXPASA-N 1 0 435.549 4.156 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623631 1126241153 /nfs/dbraw/zinc/24/11/53/1126241153.db2.gz CWYKYDOAZMNNRF-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCC3)N1CCCCC1 ZINC001164388102 718803217 /nfs/dbraw/zinc/80/32/17/718803217.db2.gz SQZZEYDPZVKRIN-UHFFFAOYSA-N 1 0 425.646 4.278 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CCC12CC[NH2+]CC2 ZINC001164388261 718815164 /nfs/dbraw/zinc/81/51/64/718815164.db2.gz OAOQMQQHAVPXLN-INIZCTEOSA-N 1 0 447.839 4.248 20 0 IIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164409291 718865832 /nfs/dbraw/zinc/86/58/32/718865832.db2.gz PFHTUQREKXOWPO-KBXCAEBGSA-N 1 0 428.310 4.415 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164423147 718945911 /nfs/dbraw/zinc/94/59/11/718945911.db2.gz FQCSRAIHGKWLRR-RTWAWAEBSA-N 1 0 445.636 4.242 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164430723 718947324 /nfs/dbraw/zinc/94/73/24/718947324.db2.gz XABOHKPBQNGNHL-WIYYLYMNSA-N 1 0 442.897 4.426 20 0 IIADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164428876 718947446 /nfs/dbraw/zinc/94/74/46/718947446.db2.gz LLSBVGSVHMPPPG-XLIONFOSSA-N 1 0 442.897 4.426 20 0 IIADRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3ccc(-c4nc(Cl)nc5sc6c(c54)CCC6)cc3)C[C@H]21 ZINC001164439537 718987280 /nfs/dbraw/zinc/98/72/80/718987280.db2.gz DXASOUGHQFRPBW-HALDLXJZSA-N 1 0 432.927 4.439 20 0 IIADRO Clc1nc2c(c(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164628309 719045151 /nfs/dbraw/zinc/04/51/51/719045151.db2.gz XYLHAISYJZIGIY-BKMJKUGQSA-N 1 0 445.998 4.229 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618335 719047463 /nfs/dbraw/zinc/04/74/63/719047463.db2.gz AQTROHAOPUJTMJ-PGRDOPGGSA-N 1 0 441.913 4.320 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619075 719067429 /nfs/dbraw/zinc/06/74/29/719067429.db2.gz CGJRAGXDDLHLQW-WMZOPIPTSA-N 1 0 435.902 4.167 20 0 IIADRO c1ccc(CN2CCc3c(ncnc3N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001164627188 719074344 /nfs/dbraw/zinc/07/43/44/719074344.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 1 0 439.607 4.136 20 0 IIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629924 719091811 /nfs/dbraw/zinc/09/18/11/719091811.db2.gz UFUDNYWSOGNYBO-VQIMIIECSA-N 1 0 429.902 4.324 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC001164650529 719295475 /nfs/dbraw/zinc/29/54/75/719295475.db2.gz IONSTFSVFBIDKI-APFRJGHOSA-N 1 0 436.600 4.367 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164688154 719599438 /nfs/dbraw/zinc/59/94/38/719599438.db2.gz UPEBTQOPBSYLTH-ZJSXRUAMSA-N 1 0 446.599 4.330 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164685454 719682907 /nfs/dbraw/zinc/68/29/07/719682907.db2.gz JZTGVACMSWLCCG-OAQYLSRUSA-N 1 0 448.655 4.473 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CC2 ZINC001164685709 719726871 /nfs/dbraw/zinc/72/68/71/719726871.db2.gz NGHGIYZWPLSOAY-UHFFFAOYSA-N 1 0 449.986 4.131 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691503 719803328 /nfs/dbraw/zinc/80/33/28/719803328.db2.gz ILJZMDMULDPFMA-UHFFFAOYSA-N 1 0 434.993 4.312 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1C ZINC001164692493 719810661 /nfs/dbraw/zinc/81/06/61/719810661.db2.gz IEZOCSUAHVBMLO-UHFFFAOYSA-N 1 0 428.602 4.275 20 0 IIADRO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164696722 719894644 /nfs/dbraw/zinc/89/46/44/719894644.db2.gz HWYLLRDNJFYJCD-UHFFFAOYSA-N 1 0 443.947 4.221 20 0 IIADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164707918 719910402 /nfs/dbraw/zinc/91/04/02/719910402.db2.gz ZEJGPBUHNOTHRC-UHFFFAOYSA-N 1 0 437.544 4.183 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164710296 720100734 /nfs/dbraw/zinc/10/07/34/720100734.db2.gz IHTHBXDJYOCVPZ-FQEVSTJZSA-N 1 0 437.613 4.211 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164715559 720107321 /nfs/dbraw/zinc/10/73/21/720107321.db2.gz HXXLMOJLFASXTG-IBGZPJMESA-N 1 0 426.992 4.126 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164716915 720126345 /nfs/dbraw/zinc/12/63/45/720126345.db2.gz LLYMMSDYHPXQMT-JOCHJYFZSA-N 1 0 446.595 4.454 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164712491 720154357 /nfs/dbraw/zinc/15/43/57/720154357.db2.gz MUOZJICAPBFPHJ-FQEVSTJZSA-N 1 0 449.624 4.254 20 0 IIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711911 720157392 /nfs/dbraw/zinc/15/73/92/720157392.db2.gz DNFMVLQFTUAYFY-PZJWPPBQSA-N 1 0 448.615 4.374 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816846 720171827 /nfs/dbraw/zinc/17/18/27/720171827.db2.gz NEBNKFQVERWRDY-SBUREZEXSA-N 1 0 446.954 4.246 20 0 IIADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2cc(Cl)ccc12 ZINC001164812243 720228983 /nfs/dbraw/zinc/22/89/83/720228983.db2.gz DPBZWLVHRJRVHU-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813395 720231110 /nfs/dbraw/zinc/23/11/10/720231110.db2.gz NUZOYQKSYNPZTJ-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164813286 720231306 /nfs/dbraw/zinc/23/13/06/720231306.db2.gz MKJJELZVACCZDV-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2c(Cl)cccc12 ZINC001164831311 720331072 /nfs/dbraw/zinc/33/10/72/720331072.db2.gz QQVRDTKJDNTULR-LEWJYISDSA-N 1 0 426.992 4.108 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)CC[C@@H]21 ZINC001164835000 720539323 /nfs/dbraw/zinc/53/93/23/720539323.db2.gz GOJVQSOZTKDMAB-RLSLOFABSA-N 1 0 441.583 4.199 20 0 IIADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838596 720544905 /nfs/dbraw/zinc/54/49/05/720544905.db2.gz ORRAOUGBRGHMIK-LRXVAGHRSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]21 ZINC001164839161 720548204 /nfs/dbraw/zinc/54/82/04/720548204.db2.gz PRKTUFVSWSARAM-ONTIZHBOSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC[C@@H]21 ZINC001164842203 720591485 /nfs/dbraw/zinc/59/14/85/720591485.db2.gz ULBZRDNBEJGNKJ-MDKPJZGXSA-N 1 0 449.990 4.339 20 0 IIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164742271 720593535 /nfs/dbraw/zinc/59/35/35/720593535.db2.gz MJTYGIMXGSATPZ-UHFFFAOYSA-N 1 0 438.963 4.086 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843600 720613535 /nfs/dbraw/zinc/61/35/35/720613535.db2.gz YMIAAHWBEUZAIQ-IEIRFRATSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164844185 720616485 /nfs/dbraw/zinc/61/64/85/720616485.db2.gz ZSHQOQFHGCBEDY-SGIRGMQISA-N 1 0 430.600 4.335 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(SCc4ccccc4)ncn3)CC[C@@H]21 ZINC001164836310 720624588 /nfs/dbraw/zinc/62/45/88/720624588.db2.gz FSJDLUSKVCZZTL-VABKMULXSA-N 1 0 448.640 4.343 20 0 IIADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164837271 720627661 /nfs/dbraw/zinc/62/76/61/720627661.db2.gz HVZGODCPRSFEIK-QPTUXGOLSA-N 1 0 445.615 4.209 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164844489 720681560 /nfs/dbraw/zinc/68/15/60/720681560.db2.gz SJQQNDOFXFOEAO-KRWDZBQOSA-N 1 0 431.005 4.038 20 0 IIADRO CCOc1ccc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844952 720695064 /nfs/dbraw/zinc/69/50/64/720695064.db2.gz WXJWCSNLQRFGPS-OAQYLSRUSA-N 1 0 432.568 4.288 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164839936 720697360 /nfs/dbraw/zinc/69/73/60/720697360.db2.gz CYLDVZZXMWACTD-JOCHJYFZSA-N 1 0 437.584 4.135 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843808 720701991 /nfs/dbraw/zinc/70/19/91/720701991.db2.gz QZBHMIMMKLSIAZ-QFIPXVFZSA-N 1 0 445.563 4.281 20 0 IIADRO Cc1nc(-c2ccncc2)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839089 720718486 /nfs/dbraw/zinc/71/84/86/720718486.db2.gz KQGYIYRQAJYUBM-HSZRJFAPSA-N 1 0 429.568 4.107 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751881 720856664 /nfs/dbraw/zinc/85/66/64/720856664.db2.gz RLECFMPIXZAMFX-PCCBWWKXSA-N 1 0 436.991 4.168 20 0 IIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@H]2C1 ZINC001164865278 720874887 /nfs/dbraw/zinc/87/48/87/720874887.db2.gz ZOGSAWJQRIRYNF-DHLKQENFSA-N 1 0 446.595 4.087 20 0 IIADRO Cc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753984 720878748 /nfs/dbraw/zinc/87/87/48/720878748.db2.gz QQGCZDVBTJGRKV-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754590 720879464 /nfs/dbraw/zinc/87/94/64/720879464.db2.gz SBQGTOVLJMEMGX-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO c1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164751742 720881983 /nfs/dbraw/zinc/88/19/83/720881983.db2.gz DDXGVQRQKSVTFP-WIOPSUGQSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164750687 720884839 /nfs/dbraw/zinc/88/48/39/720884839.db2.gz BPOLQNRFJJAOIG-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752826 720897843 /nfs/dbraw/zinc/89/78/43/720897843.db2.gz GAZOLMDQDAXUCR-ATIYNZHBSA-N 1 0 431.584 4.021 20 0 IIADRO Cc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164752294 720909324 /nfs/dbraw/zinc/90/93/24/720909324.db2.gz NVJKYFFMUHZTJB-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164746527 720919533 /nfs/dbraw/zinc/91/95/33/720919533.db2.gz BKGCAIGYRZFQHI-ATIYNZHBSA-N 1 0 432.568 4.286 20 0 IIADRO CSCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755213 720922181 /nfs/dbraw/zinc/92/21/81/720922181.db2.gz ZUCKQZICNFNDPY-ZCYQVOJMSA-N 1 0 438.641 4.095 20 0 IIADRO Cc1cc2cccnc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753808 720926681 /nfs/dbraw/zinc/92/66/81/720926681.db2.gz UDGZMMXKEZQLJB-SHQCIBLASA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc2cccnc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753806 720927094 /nfs/dbraw/zinc/92/70/94/720927094.db2.gz UDGZMMXKEZQLJB-IGKIAQTJSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@H]2C ZINC001164864181 720993082 /nfs/dbraw/zinc/99/30/82/720993082.db2.gz YWSHSWBKWQVOIJ-IBGZPJMESA-N 1 0 442.567 4.343 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@@H]2C ZINC001164861781 721015632 /nfs/dbraw/zinc/01/56/32/721015632.db2.gz PIGCNLPYKRLOIJ-MRXNPFEDSA-N 1 0 433.585 4.371 20 0 IIADRO COCCOC(=O)c1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759526 721046533 /nfs/dbraw/zinc/04/65/33/721046533.db2.gz NZEOWODKXOFUAJ-UHFFFAOYSA-N 1 0 437.584 4.076 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771002 721101136 /nfs/dbraw/zinc/10/11/36/721101136.db2.gz QVPINARJVROTDN-NEPJUHHUSA-N 1 0 435.186 4.387 20 0 IIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867418 721105491 /nfs/dbraw/zinc/10/54/91/721105491.db2.gz YJRGNHQIXDXGND-OALUTQOASA-N 1 0 444.913 4.308 20 0 IIADRO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@H]5C4)c23)cc1 ZINC001164767295 721113356 /nfs/dbraw/zinc/11/33/56/721113356.db2.gz MINJFTBTJONJJG-SFTDATJTSA-N 1 0 444.608 4.359 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874433 721182578 /nfs/dbraw/zinc/18/25/78/721182578.db2.gz JXPKAJJHZPTUFA-PMACEKPBSA-N 1 0 427.980 4.052 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759442 721249062 /nfs/dbraw/zinc/24/90/62/721249062.db2.gz AJGPTADYBIQKNA-MSOLQXFVSA-N 1 0 449.977 4.241 20 0 IIADRO COc1ccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@H+](CC3CC3)C4)c(Cl)nn2)cc1 ZINC001164774676 721304118 /nfs/dbraw/zinc/30/41/18/721304118.db2.gz HIARWPKSEOAHHG-UHFFFAOYSA-N 1 0 434.918 4.273 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887102 721401457 /nfs/dbraw/zinc/40/14/57/721401457.db2.gz LAGJXSQMOVMZRD-FDDCHVKYSA-N 1 0 449.426 4.307 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(C[NH+]4CCCC4)cn2)CCO3)cs1 ZINC001164784769 721445008 /nfs/dbraw/zinc/44/50/08/721445008.db2.gz QOEOBGIYJPDPCO-ZJSXRUAMSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164787758 721457922 /nfs/dbraw/zinc/45/79/22/721457922.db2.gz SBMZIPAIXUJPIX-GOSISDBHSA-N 1 0 440.053 4.191 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164782713 721460290 /nfs/dbraw/zinc/46/02/90/721460290.db2.gz BCYYAJACNKJZQZ-HXUWFJFHSA-N 1 0 427.564 4.108 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164792965 721496255 /nfs/dbraw/zinc/49/62/55/721496255.db2.gz WMGPTHZQDKELFA-UHFFFAOYSA-N 1 0 428.964 4.188 20 0 IIADRO COc1cccc(-c2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n2)c1 ZINC001164795462 721497802 /nfs/dbraw/zinc/49/78/02/721497802.db2.gz HWOMLTMKQLFPMB-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2)C1 ZINC001164796375 721499792 /nfs/dbraw/zinc/49/97/92/721499792.db2.gz SDRDUVBZWNURGT-NRFANRHFSA-N 1 0 447.627 4.230 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898650 721502026 /nfs/dbraw/zinc/50/20/26/721502026.db2.gz SZQSQNLECKKCTH-DHIUTWEWSA-N 1 0 442.648 4.166 20 0 IIADRO Cc1nc(-c2ccccn2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164796691 721502591 /nfs/dbraw/zinc/50/25/91/721502591.db2.gz VIZHVODOYXBEGX-UHFFFAOYSA-N 1 0 428.584 4.431 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904104 721552361 /nfs/dbraw/zinc/55/23/61/721552361.db2.gz CZWHDAPMNCZAIR-UNMCSNQZSA-N 1 0 441.510 4.173 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904100 721552584 /nfs/dbraw/zinc/55/25/84/721552584.db2.gz CZWHDAPMNCZAIR-RBBKRZOGSA-N 1 0 441.510 4.173 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164800797 721554723 /nfs/dbraw/zinc/55/47/23/721554723.db2.gz FPCXZCURSHUXBS-ZILOHOTNSA-N 1 0 435.959 4.060 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164800792 721555331 /nfs/dbraw/zinc/55/53/31/721555331.db2.gz FPCXZCURSHUXBS-XZDHIHRUSA-N 1 0 435.959 4.060 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164907009 721563024 /nfs/dbraw/zinc/56/30/24/721563024.db2.gz LUZVEFMXSMKNNI-AZUAARDMSA-N 1 0 447.539 4.234 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@@H+]3C2)c1 ZINC001164909187 721566924 /nfs/dbraw/zinc/56/69/24/721566924.db2.gz SPRNLYPONPKNLL-MJGOQNOKSA-N 1 0 437.893 4.336 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164805838 721567367 /nfs/dbraw/zinc/56/73/67/721567367.db2.gz PCGKNDJLVYRFKR-FUPPJEDESA-N 1 0 438.959 4.160 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808324 721588526 /nfs/dbraw/zinc/58/85/26/721588526.db2.gz QOTNQMHMGURCHE-KNTRFNDTSA-N 1 0 429.996 4.215 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@H]12 ZINC001164800078 721588762 /nfs/dbraw/zinc/58/87/62/721588762.db2.gz BNZHWPOKHKHLSI-MZKRTTBSSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@@H]12 ZINC001164808335 721589949 /nfs/dbraw/zinc/58/99/49/721589949.db2.gz QSSNSKSGXPBQPB-JXHRLWIKSA-N 1 0 426.923 4.291 20 0 IIADRO FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906179 721693863 /nfs/dbraw/zinc/69/38/63/721693863.db2.gz LXDQJVJNVZZGQP-LJQANCHMSA-N 1 0 435.931 4.477 20 0 IIADRO CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907113 721695221 /nfs/dbraw/zinc/69/52/21/721695221.db2.gz SDHQQVBYUJQMRZ-NRFANRHFSA-N 1 0 449.933 4.028 20 0 IIADRO FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908919 721708834 /nfs/dbraw/zinc/70/88/34/721708834.db2.gz ZMGLYOJCYVTQKM-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911806 721733264 /nfs/dbraw/zinc/73/32/64/721733264.db2.gz KLFXEIUEZHIRGC-NRFANRHFSA-N 1 0 427.524 4.338 20 0 IIADRO COc1cc2cc[nH+]c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164909028 721755822 /nfs/dbraw/zinc/75/58/22/721755822.db2.gz CYCCLDFGYZWAHE-UHFFFAOYSA-N 1 0 444.535 4.435 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024648 721798589 /nfs/dbraw/zinc/79/85/89/721798589.db2.gz MPTRQNQCDOKFAO-DBVUQKKJSA-N 1 0 428.964 4.044 20 0 IIADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026615 721799301 /nfs/dbraw/zinc/79/93/01/721799301.db2.gz ROFTUYUCCGHDDD-SAWYMBPVSA-N 1 0 437.975 4.424 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028979 721818004 /nfs/dbraw/zinc/81/80/04/721818004.db2.gz YIAYOUMWDYXRMN-NGYIFUPDSA-N 1 0 430.552 4.153 20 0 IIADRO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165026797 721820448 /nfs/dbraw/zinc/82/04/48/721820448.db2.gz RDWZWRDSXHMEQX-ILZDJORESA-N 1 0 428.964 4.044 20 0 IIADRO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027061 721822260 /nfs/dbraw/zinc/82/22/60/721822260.db2.gz RLRAZSKXMBOAFM-TUACAJSNSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]21 ZINC001165024705 721822723 /nfs/dbraw/zinc/82/27/23/721822723.db2.gz KYVFEIOILWDAGD-ZTFGCOKTSA-N 1 0 443.382 4.464 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1)C1CC1 ZINC001165018873 721822742 /nfs/dbraw/zinc/82/27/42/721822742.db2.gz AOLZKMFUBHKVNH-VLYJIQRVSA-N 1 0 448.611 4.270 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2)C1 ZINC001165027039 721823620 /nfs/dbraw/zinc/82/36/20/721823620.db2.gz RFBUPNQLBANWMX-BESOESOGSA-N 1 0 447.627 4.086 20 0 IIADRO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027572 721824282 /nfs/dbraw/zinc/82/42/82/721824282.db2.gz SRKNOAOTXOGLLW-BPUDTRNYSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@H]21 ZINC001165029500 721828046 /nfs/dbraw/zinc/82/80/46/721828046.db2.gz WXVRYIMJVWERCX-QUURXOELSA-N 1 0 440.595 4.159 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3cc(Cl)ccc3n2)CC1 ZINC001165022646 721841495 /nfs/dbraw/zinc/84/14/95/721841495.db2.gz QVYWDGNPAHASQO-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1ccccc1-c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncn1 ZINC001165022058 721843958 /nfs/dbraw/zinc/84/39/58/721843958.db2.gz OPHLHEDZTBLDTC-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164928062 721859837 /nfs/dbraw/zinc/85/98/37/721859837.db2.gz NAYVDDSADKBGNK-ZWKOTPCHSA-N 1 0 429.342 4.301 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927412 721868099 /nfs/dbraw/zinc/86/80/99/721868099.db2.gz UYNUOOGLRWCQDK-YADHBBJMSA-N 1 0 439.966 4.304 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164935322 721890668 /nfs/dbraw/zinc/89/06/68/721890668.db2.gz VLJYPTPNXWXPPT-NHCUHLMSSA-N 1 0 434.962 4.470 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)CC3)C2)cc1 ZINC001164939309 721922299 /nfs/dbraw/zinc/92/22/99/721922299.db2.gz HTAKPDXJIULHDD-UHFFFAOYSA-N 1 0 437.584 4.217 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(C)nc(Cl)n4)CC3)C2)cc1 ZINC001164940594 721924282 /nfs/dbraw/zinc/92/42/82/721924282.db2.gz UNIRIJIGYAMCRW-UHFFFAOYSA-N 1 0 436.934 4.163 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)c1 ZINC001164939896 721926489 /nfs/dbraw/zinc/92/64/89/721926489.db2.gz PFYSHBBDXHHVOM-UHFFFAOYSA-N 1 0 443.975 4.092 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2)cc1 ZINC001164940001 721927794 /nfs/dbraw/zinc/92/77/94/721927794.db2.gz PLBWCKPMGBBMHZ-UHFFFAOYSA-N 1 0 444.579 4.235 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939998 721929769 /nfs/dbraw/zinc/92/97/69/721929769.db2.gz PHBGCRXHQQSYPO-UHFFFAOYSA-N 1 0 439.991 4.354 20 0 IIADRO Cc1nc2c(cc(-c3nc(N(C)CC4CC[NH+](C)CC4)ncc3F)cc2F)n1C(C)C ZINC001165041195 721934041 /nfs/dbraw/zinc/93/40/41/721934041.db2.gz JXCXBWIDRAYLOU-UHFFFAOYSA-N 1 0 428.531 4.439 20 0 IIADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048773 721973827 /nfs/dbraw/zinc/97/38/27/721973827.db2.gz LAYYCBFHYYHPBV-RPAADVPWSA-N 1 0 442.604 4.097 20 0 IIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165050450 721973849 /nfs/dbraw/zinc/97/38/49/721973849.db2.gz YBGKPYOCDNHYAR-SFHVURJKSA-N 1 0 432.609 4.202 20 0 IIADRO CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001165052445 721994023 /nfs/dbraw/zinc/99/40/23/721994023.db2.gz YUWQHWHFISORCA-OAHLLOKOSA-N 1 0 427.923 4.215 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164948667 721998449 /nfs/dbraw/zinc/99/84/49/721998449.db2.gz ADCUFYPQHOQONY-QHCPKHFHSA-N 1 0 432.572 4.209 20 0 IIADRO COCc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164953312 722013030 /nfs/dbraw/zinc/01/30/30/722013030.db2.gz DYTBKGDAUWEPIF-UHFFFAOYSA-N 1 0 429.568 4.178 20 0 IIADRO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955445 722022987 /nfs/dbraw/zinc/02/29/87/722022987.db2.gz HDAJFGIUTULZQD-UHFFFAOYSA-N 1 0 442.563 4.326 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164958300 722030054 /nfs/dbraw/zinc/03/00/54/722030054.db2.gz OMMSBJQSOHGPEU-GBAAUQCPSA-N 1 0 440.563 4.368 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986250 722107628 /nfs/dbraw/zinc/10/76/28/722107628.db2.gz YNYVDLQSVWAQQO-GDBMZVCRSA-N 1 0 427.763 4.164 20 0 IIADRO Clc1cnc2cc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978190 722112374 /nfs/dbraw/zinc/11/23/74/722112374.db2.gz NTAZBNJOOBGGIR-HRAATJIYSA-N 1 0 444.366 4.059 20 0 IIADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982190 722116473 /nfs/dbraw/zinc/11/64/73/722116473.db2.gz WGMLMMVYAUBXFU-RDJZCZTQSA-N 1 0 443.325 4.056 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984193 722130883 /nfs/dbraw/zinc/13/08/83/722130883.db2.gz WIFYVBWNFUHEJU-PGRDOPGGSA-N 1 0 438.959 4.019 20 0 IIADRO CCOC(=O)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995473 722199162 /nfs/dbraw/zinc/19/91/62/722199162.db2.gz VCIRFIJRTQEFCX-DEOSSOPVSA-N 1 0 427.520 4.041 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000482810272 1126094932 /nfs/dbraw/zinc/09/49/32/1126094932.db2.gz FCHWXNTUZIHNTC-IBGZPJMESA-N 1 0 439.357 4.118 20 0 IIADRO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000604766293 1126100179 /nfs/dbraw/zinc/10/01/79/1126100179.db2.gz YMSFKBHOSWKSEX-YJBOKZPZSA-N 1 0 448.279 4.090 20 0 IIADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cnc12 ZINC000680121404 1126105848 /nfs/dbraw/zinc/10/58/48/1126105848.db2.gz VLONDYFZJZNPAG-IRXDYDNUSA-N 1 0 442.279 4.029 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC001176599778 1126150390 /nfs/dbraw/zinc/15/03/90/1126150390.db2.gz QRXDYMSJBWMCDV-SANMLTNESA-N 1 0 434.536 4.039 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Br)cc1F ZINC001179278005 1126151860 /nfs/dbraw/zinc/15/18/60/1126151860.db2.gz QEZLNDUSKWNPJI-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc2C1 ZINC001179278708 1126152042 /nfs/dbraw/zinc/15/20/42/1126152042.db2.gz XYKSXXZILFTPCU-VWLOTQADSA-N 1 0 428.548 4.202 20 0 IIADRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284678 1126153830 /nfs/dbraw/zinc/15/38/30/1126153830.db2.gz KMZVWQSTSIXSST-KBXCAEBGSA-N 1 0 448.279 4.090 20 0 IIADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025626 1126157107 /nfs/dbraw/zinc/15/71/07/1126157107.db2.gz XSCWQMKUYWVEET-VQIMIIECSA-N 1 0 425.392 4.228 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@](C)(CO)Cc4ccccc4F)cc3)nc12 ZINC001560548334 1126212267 /nfs/dbraw/zinc/21/22/67/1126212267.db2.gz KUKQXQIYKZOUTK-SANMLTNESA-N 1 0 433.527 4.444 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(O)ccc1Br ZINC001621022206 1126244663 /nfs/dbraw/zinc/24/46/63/1126244663.db2.gz NFCALKQODHSJCL-QGZVFWFLSA-N 1 0 429.152 4.001 20 0 IIADRO [NH3+][C@]12C[C@H]1CCN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418853 718896567 /nfs/dbraw/zinc/89/65/67/718896567.db2.gz FPWOQDGGVOXDFN-QRQCRPRQSA-N 1 0 425.627 4.333 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(OC)c4ccc(Cl)cc43)CC2)CC1 ZINC001164617441 719026648 /nfs/dbraw/zinc/02/66/48/719026648.db2.gz LZSKDTFEDQZRLX-UHFFFAOYSA-N 1 0 431.964 4.141 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(SC)c(Cl)n3)CC2)CC1 ZINC001164617812 719028053 /nfs/dbraw/zinc/02/80/53/719028053.db2.gz PNAFGVDKPPUTGZ-UHFFFAOYSA-N 1 0 447.979 4.246 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC2)CC1 ZINC001164616371 719032893 /nfs/dbraw/zinc/03/28/93/719032893.db2.gz AVHKKQFTEIBDAB-UHFFFAOYSA-N 1 0 446.954 4.180 20 0 IIADRO O=C(c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCCC1 ZINC001164629074 719064959 /nfs/dbraw/zinc/06/49/59/719064959.db2.gz VJEJHWKAPLABLB-IRLDBZIGSA-N 1 0 439.003 4.462 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619073 719067178 /nfs/dbraw/zinc/06/71/78/719067178.db2.gz CGJRAGXDDLHLQW-SJLPKXTDSA-N 1 0 435.902 4.167 20 0 IIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618468 719077459 /nfs/dbraw/zinc/07/74/59/719077459.db2.gz AQBOBJIXIOOIQD-DLBZAZTESA-N 1 0 447.004 4.129 20 0 IIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629923 719091988 /nfs/dbraw/zinc/09/19/88/719091988.db2.gz UFUDNYWSOGNYBO-QFBILLFUSA-N 1 0 429.902 4.324 20 0 IIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@@H]3C2)cc1 ZINC001164624232 719098090 /nfs/dbraw/zinc/09/80/90/719098090.db2.gz DQYNZZTVCNHYDB-JTHBVZDNSA-N 1 0 428.536 4.016 20 0 IIADRO COc1ccc(OC)c(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164622313 719103943 /nfs/dbraw/zinc/10/39/43/719103943.db2.gz BROUMYALJZRZOA-YKSBVNFPSA-N 1 0 430.552 4.262 20 0 IIADRO COC(=O)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccc2c1OC ZINC001164628790 719104202 /nfs/dbraw/zinc/10/42/02/719104202.db2.gz OGCQOBRHTYKCPP-KNQAVFIVSA-N 1 0 431.536 4.131 20 0 IIADRO C[C@@H]1CN(C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643244 719228838 /nfs/dbraw/zinc/22/88/38/719228838.db2.gz YKGQTLMEKIQFCL-RBUKOAKNSA-N 1 0 441.019 4.285 20 0 IIADRO Cc1nc2scc(-c3cccs3)c2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679644 719639459 /nfs/dbraw/zinc/63/94/59/719639459.db2.gz JWHBARWXRKAKGI-UHFFFAOYSA-N 1 0 438.626 4.400 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC001164680253 719656592 /nfs/dbraw/zinc/65/65/92/719656592.db2.gz DQGPRGVSHSGCNW-JOCHJYFZSA-N 1 0 442.607 4.328 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(C4CC4)n3)CC2)c2ccccc21 ZINC001164685711 719682635 /nfs/dbraw/zinc/68/26/35/719682635.db2.gz LUYLHGSMMOIUKY-OAQYLSRUSA-N 1 0 432.612 4.052 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(NC(=O)OC(C)(C)C)ncn2)CC3)cs1 ZINC001164691778 719805405 /nfs/dbraw/zinc/80/54/05/719805405.db2.gz JXGJEYLKAPVIIC-UHFFFAOYSA-N 1 0 444.605 4.224 20 0 IIADRO CSc1nc2c(c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)n1)CCCC2 ZINC001164694483 719808064 /nfs/dbraw/zinc/80/80/64/719808064.db2.gz YUTFMUYBLPDLLQ-UHFFFAOYSA-N 1 0 429.659 4.477 20 0 IIADRO COc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(Cl)n1 ZINC001164696058 719887717 /nfs/dbraw/zinc/88/77/17/719887717.db2.gz VRDXHWAABDUOIZ-UHFFFAOYSA-N 1 0 443.947 4.221 20 0 IIADRO FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696109 719891814 /nfs/dbraw/zinc/89/18/14/719891814.db2.gz XKFWLORCFNOZSX-UHFFFAOYSA-N 1 0 443.947 4.135 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164712098 720100286 /nfs/dbraw/zinc/10/02/86/720100286.db2.gz VLLVRQBTWHCXMO-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164719602 720108863 /nfs/dbraw/zinc/10/88/63/720108863.db2.gz ZKJHSYHSDBJQQR-HXUWFJFHSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164715519 720110427 /nfs/dbraw/zinc/11/04/27/720110427.db2.gz GWWIOVZYYIMFDJ-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813907 720111136 /nfs/dbraw/zinc/11/11/36/720111136.db2.gz RPIUFLGVZYIMBC-AMGIVPHBSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164710530 720132761 /nfs/dbraw/zinc/13/27/61/720132761.db2.gz CBOYVCKTODRTDN-QFIPXVFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164714808 720149968 /nfs/dbraw/zinc/14/99/68/720149968.db2.gz ZIMCHZBWVCYOMK-QFIPXVFZSA-N 1 0 445.567 4.171 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817473 720153567 /nfs/dbraw/zinc/15/35/67/720153567.db2.gz PNWJYUYZHFYTIM-OFVILXPXSA-N 1 0 442.003 4.499 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812971 720156242 /nfs/dbraw/zinc/15/62/42/720156242.db2.gz BCBPBYZMIQOTFY-WNCULLNHSA-N 1 0 449.595 4.028 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816678 720182632 /nfs/dbraw/zinc/18/26/32/720182632.db2.gz MEEMXTLBMGDLKX-AJTFRIOCSA-N 1 0 428.580 4.482 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164726216 720317853 /nfs/dbraw/zinc/31/78/53/720317853.db2.gz YNYHKSRXWWECCQ-GMAHTHKFSA-N 1 0 438.620 4.036 20 0 IIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164735725 720436148 /nfs/dbraw/zinc/43/61/48/720436148.db2.gz YCEWAZLJROIKRZ-ROUUACIJSA-N 1 0 425.895 4.310 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733274 720503781 /nfs/dbraw/zinc/50/37/81/720503781.db2.gz ZOICGZKGASCXPF-MVERNJQCSA-N 1 0 449.599 4.038 20 0 IIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728841 720573625 /nfs/dbraw/zinc/57/36/25/720573625.db2.gz NDQJTUMZMKZFQP-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO c1cc(-c2nc3ccccc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cs1 ZINC001164736669 720583075 /nfs/dbraw/zinc/58/30/75/720583075.db2.gz QLSMZMBHRAJGNF-UHFFFAOYSA-N 1 0 430.581 4.213 20 0 IIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164844184 720615374 /nfs/dbraw/zinc/61/53/74/720615374.db2.gz ZSHQOQFHGCBEDY-OTNCWRBYSA-N 1 0 430.600 4.335 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]21 ZINC001164839306 720631823 /nfs/dbraw/zinc/63/18/23/720631823.db2.gz NEXSMUNGICZNFR-VJBWXMMDSA-N 1 0 448.640 4.343 20 0 IIADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838181 720636583 /nfs/dbraw/zinc/63/65/83/720636583.db2.gz KHDYQRDZZWXYGU-HSALFYBXSA-N 1 0 431.028 4.211 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(CSc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842725 720640603 /nfs/dbraw/zinc/64/06/03/720640603.db2.gz VHEXHCRGMJEPEC-FUPPJEDESA-N 1 0 448.640 4.343 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164842668 720694870 /nfs/dbraw/zinc/69/48/70/720694870.db2.gz MKPQODBLXBMLEA-KRWDZBQOSA-N 1 0 444.004 4.308 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164843361 720697845 /nfs/dbraw/zinc/69/78/45/720697845.db2.gz ONOPVMCIAFAFCK-SFHVURJKSA-N 1 0 436.934 4.122 20 0 IIADRO CSc1nc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2s1 ZINC001164837572 720703362 /nfs/dbraw/zinc/70/33/62/720703362.db2.gz DTGPMKULPHBUPE-QGZVFWFLSA-N 1 0 441.626 4.068 20 0 IIADRO Cc1nc(-c2ccncc2)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839091 720719297 /nfs/dbraw/zinc/71/92/97/720719297.db2.gz KQGYIYRQAJYUBM-QHCPKHFHSA-N 1 0 429.568 4.107 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745165 720833923 /nfs/dbraw/zinc/83/39/23/720833923.db2.gz MCBAUFLBCJSLRR-XQBPLPMBSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1C ZINC001164745779 720849533 /nfs/dbraw/zinc/84/95/33/720849533.db2.gz NJWZEDAMRODZLE-CQOQZXRMSA-N 1 0 430.600 4.131 20 0 IIADRO Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751678 720872003 /nfs/dbraw/zinc/87/20/03/720872003.db2.gz LWPDTEICPXOIBZ-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164750013 720882252 /nfs/dbraw/zinc/88/22/52/720882252.db2.gz IHNNPCXLFADIMS-BKMJKUGQSA-N 1 0 431.584 4.021 20 0 IIADRO Fc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758127 720887422 /nfs/dbraw/zinc/88/74/22/720887422.db2.gz WZYDWKOCGWSANF-AUSIDOKSSA-N 1 0 430.955 4.024 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860624 720901793 /nfs/dbraw/zinc/90/17/93/720901793.db2.gz SHTNVENELRKUCY-FKCDAAJZSA-N 1 0 448.611 4.186 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755108 720918160 /nfs/dbraw/zinc/91/81/60/720918160.db2.gz YKEYEUQDBRMFNS-KCWPFWIISA-N 1 0 449.643 4.233 20 0 IIADRO CSCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755206 720923266 /nfs/dbraw/zinc/92/32/66/720923266.db2.gz ZUCKQZICNFNDPY-ILBGXUMGSA-N 1 0 438.641 4.095 20 0 IIADRO CSCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750131 720928762 /nfs/dbraw/zinc/92/87/62/720928762.db2.gz JGDQUCQOGAKVFZ-ZCYQVOJMSA-N 1 0 438.641 4.095 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1Cl ZINC001164856182 720942006 /nfs/dbraw/zinc/94/20/06/720942006.db2.gz CEHNPTFTWROCAA-CYBMUJFWSA-N 1 0 440.375 4.183 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@@H]2C ZINC001164864182 720992378 /nfs/dbraw/zinc/99/23/78/720992378.db2.gz YWSHSWBKWQVOIJ-LJQANCHMSA-N 1 0 442.567 4.343 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@H]2C ZINC001164859702 720998565 /nfs/dbraw/zinc/99/85/65/720998565.db2.gz LOHRIXSWFKFGAA-IBGZPJMESA-N 1 0 433.604 4.238 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)ccc4S(C)(=O)=O)CC3)CC2)cc1 ZINC001164760433 721045303 /nfs/dbraw/zinc/04/53/03/721045303.db2.gz UTLXPVGTKUZNCJ-UHFFFAOYSA-N 1 0 448.032 4.330 20 0 IIADRO c1ccc(-c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865380 721083058 /nfs/dbraw/zinc/08/30/58/721083058.db2.gz KQNGVEJGKCDRJY-PKTZIBPZSA-N 1 0 437.547 4.172 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770991 721161755 /nfs/dbraw/zinc/16/17/55/721161755.db2.gz RUDRKUJJFXDVDR-XZOQPEGZSA-N 1 0 438.579 4.297 20 0 IIADRO Cc1sc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164773833 721201002 /nfs/dbraw/zinc/20/10/02/721201002.db2.gz XIZFXZHFJTZHSQ-SFTDATJTSA-N 1 0 444.608 4.359 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772366 721202956 /nfs/dbraw/zinc/20/29/56/721202956.db2.gz TVVTVAGKOSTONY-AZUAARDMSA-N 1 0 430.581 4.050 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)s1 ZINC001164772334 721211623 /nfs/dbraw/zinc/21/16/23/721211623.db2.gz SHRVXHCNVQEOKW-PMACEKPBSA-N 1 0 444.608 4.359 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760718 721246484 /nfs/dbraw/zinc/24/64/84/721246484.db2.gz GHZKTCHNSIYOFA-DLBZAZTESA-N 1 0 447.917 4.232 20 0 IIADRO Cc1noc(C)c1CN1CCOC[C@]2(CCC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786136 721377073 /nfs/dbraw/zinc/37/70/73/721377073.db2.gz SRZUQGNZEQTHSE-HSZRJFAPSA-N 1 0 432.996 4.190 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164784506 721452857 /nfs/dbraw/zinc/45/28/57/721452857.db2.gz FUJIHOKRLRERQL-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164785051 721455676 /nfs/dbraw/zinc/45/56/76/721455676.db2.gz GDFZARATOFTKQC-HXUWFJFHSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164786900 721457758 /nfs/dbraw/zinc/45/77/58/721457758.db2.gz QKAJWKCXZDIFPN-QFIPXVFZSA-N 1 0 427.564 4.108 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164782795 721460916 /nfs/dbraw/zinc/46/09/16/721460916.db2.gz CDNPZTTVGULWSV-NRFANRHFSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc(F)c3n1)CC2 ZINC001164784429 721464015 /nfs/dbraw/zinc/46/40/15/721464015.db2.gz IAEDINOZXQLTKE-OAQYLSRUSA-N 1 0 427.564 4.108 20 0 IIADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795089 721498618 /nfs/dbraw/zinc/49/86/18/721498618.db2.gz CVUIHKOYJXOVBN-ARJAWSKDSA-N 1 0 445.567 4.025 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1)C1CC1 ZINC001164796377 721499135 /nfs/dbraw/zinc/49/91/35/721499135.db2.gz SETQRWJVMGUCNM-DEOSSOPVSA-N 1 0 448.611 4.414 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@H]12 ZINC001164796527 721524955 /nfs/dbraw/zinc/52/49/55/721524955.db2.gz ZKIMPZFUSZKBEW-VWPQPMDRSA-N 1 0 426.923 4.291 20 0 IIADRO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810497 721553950 /nfs/dbraw/zinc/55/39/50/721553950.db2.gz YNJWFHKOGZJWOL-FUDKSRODSA-N 1 0 438.959 4.160 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164800784 721554826 /nfs/dbraw/zinc/55/48/26/721554826.db2.gz FPCXZCURSHUXBS-LEEZEASISA-N 1 0 435.959 4.060 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906568 721555112 /nfs/dbraw/zinc/55/51/12/721555112.db2.gz KCKUPUHNTLCLOM-PZJWPPBQSA-N 1 0 445.498 4.074 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164908663 721565173 /nfs/dbraw/zinc/56/51/73/721565173.db2.gz RLKUTPIEGXJJLY-PZJWPPBQSA-N 1 0 436.556 4.250 20 0 IIADRO CCCCOc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806798 721572564 /nfs/dbraw/zinc/57/25/64/721572564.db2.gz RTPJFMFGJGERQI-FDFHNCONSA-N 1 0 430.980 4.177 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@H]2CCCO[C@H]12 ZINC001164799597 721575499 /nfs/dbraw/zinc/57/54/99/721575499.db2.gz CYAJMDAOUWRLPV-MZKRTTBSSA-N 1 0 437.632 4.335 20 0 IIADRO FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908427 721696603 /nfs/dbraw/zinc/69/66/03/721696603.db2.gz ZDBRIIKHHXMNOQ-LJQANCHMSA-N 1 0 437.947 4.010 20 0 IIADRO FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904867 721699967 /nfs/dbraw/zinc/69/99/67/721699967.db2.gz HCGMXDRBQDSDRH-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908323 721710490 /nfs/dbraw/zinc/71/04/90/721710490.db2.gz WZKPXTFBHSXETL-HSZRJFAPSA-N 1 0 434.494 4.244 20 0 IIADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910578 721728564 /nfs/dbraw/zinc/72/85/64/721728564.db2.gz GMGBVCFJROGOOV-QFIPXVFZSA-N 1 0 425.483 4.178 20 0 IIADRO COCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001165027313 721802550 /nfs/dbraw/zinc/80/25/50/721802550.db2.gz VLIXZNKCKKUIMZ-GPUOULLFSA-N 1 0 443.595 4.422 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026924 721802779 /nfs/dbraw/zinc/80/27/79/721802779.db2.gz SNTNFFLMIRRXHC-CWRNSKLLSA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@H]21 ZINC001165020321 721805774 /nfs/dbraw/zinc/80/57/74/721805774.db2.gz FDEPDAOCGKDFBR-YSVLISHTSA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]21 ZINC001165020682 721813146 /nfs/dbraw/zinc/81/31/46/721813146.db2.gz CLWBFOWWBOVMDU-FTBPSBKWSA-N 1 0 441.579 4.466 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]21 ZINC001165020684 721813256 /nfs/dbraw/zinc/81/32/56/721813256.db2.gz CLWBFOWWBOVMDU-GVXSCFBNSA-N 1 0 441.579 4.466 20 0 IIADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2n1 ZINC001165025263 721814432 /nfs/dbraw/zinc/81/44/32/721814432.db2.gz MBUWPUSWHYOXNB-XKGZKEIXSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]21 ZINC001165018822 721820185 /nfs/dbraw/zinc/82/01/85/721820185.db2.gz ALPQDEDSBSMVTI-NQHRYMMQSA-N 1 0 425.580 4.374 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1)C1CC1 ZINC001165018866 721822251 /nfs/dbraw/zinc/82/22/51/721822251.db2.gz AOLZKMFUBHKVNH-BELIEFIBSA-N 1 0 448.611 4.270 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165026779 721823607 /nfs/dbraw/zinc/82/36/07/721823607.db2.gz QGSSBCXLQBCUML-FTBPSBKWSA-N 1 0 447.627 4.086 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165029657 721827665 /nfs/dbraw/zinc/82/76/65/721827665.db2.gz XKSOSDHJEIJEFG-OEMFJLHTSA-N 1 0 428.584 4.287 20 0 IIADRO CCCSc1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165020746 721831293 /nfs/dbraw/zinc/83/12/93/721831293.db2.gz DOVFGXVDQKGQQE-IHPCNDPISA-N 1 0 427.618 4.119 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(Cc3ccccc3)n2)CC1 ZINC001165022051 721844348 /nfs/dbraw/zinc/84/43/48/721844348.db2.gz OFSCNWUPOPOGMQ-UHFFFAOYSA-N 1 0 432.568 4.185 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(COC3CCC3)cn2)CC1 ZINC001165030340 721844698 /nfs/dbraw/zinc/84/46/98/721844698.db2.gz IZYZXNLCRKNZIG-UHFFFAOYSA-N 1 0 425.573 4.269 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)cc1 ZINC001164938635 721930135 /nfs/dbraw/zinc/93/01/35/721930135.db2.gz CANRUKPWEMPYRV-UHFFFAOYSA-N 1 0 434.609 4.360 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164938711 721930762 /nfs/dbraw/zinc/93/07/62/721930762.db2.gz FGQYYGRVCSOJJA-UHFFFAOYSA-N 1 0 429.568 4.027 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2)cc1 ZINC001164939653 721932403 /nfs/dbraw/zinc/93/24/03/721932403.db2.gz NPCHOYWKWOQLNN-UHFFFAOYSA-N 1 0 435.616 4.037 20 0 IIADRO CN(C)C(=O)c1cc2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2n1C1CCCC1 ZINC001165047690 721970745 /nfs/dbraw/zinc/97/07/45/721970745.db2.gz LRBYCKMSKZWXFT-HXUWFJFHSA-N 1 0 438.620 4.093 20 0 IIADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048771 721973950 /nfs/dbraw/zinc/97/39/50/721973950.db2.gz LAYYCBFHYYHPBV-DDNJPHGJSA-N 1 0 442.604 4.097 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C ZINC001164953753 722017119 /nfs/dbraw/zinc/01/71/19/722017119.db2.gz YAYRAORVVKSYFZ-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO CSCc1nc2sc3c(c2c(N2CC[NH+](CCc4ccccn4)CC2)n1)CCCC3 ZINC001165055701 722017844 /nfs/dbraw/zinc/01/78/44/722017844.db2.gz STRJWIYFGHGNOU-UHFFFAOYSA-N 1 0 439.654 4.193 20 0 IIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955617 722020688 /nfs/dbraw/zinc/02/06/88/722020688.db2.gz KLFLLHMGGSXNLO-UHFFFAOYSA-N 1 0 444.917 4.111 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)o2)cc1 ZINC001164955417 722022528 /nfs/dbraw/zinc/02/25/28/722022528.db2.gz FXTFENJFIWYBCA-UHFFFAOYSA-N 1 0 440.551 4.481 20 0 IIADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966325 722062098 /nfs/dbraw/zinc/06/20/98/722062098.db2.gz QXHXIOWFKWMHET-UHFFFAOYSA-N 1 0 442.007 4.220 20 0 IIADRO Clc1nc2sc(-c3ccccc3)cc2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967163 722074072 /nfs/dbraw/zinc/07/40/72/722074072.db2.gz MACQYPGGNZIZAT-CALCHBBNSA-N 1 0 426.973 4.311 20 0 IIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984709 722103085 /nfs/dbraw/zinc/10/30/85/722103085.db2.gz UCKWAKQNWWQVLY-YJBOKZPZSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986255 722107361 /nfs/dbraw/zinc/10/73/61/722107361.db2.gz YNYVDLQSVWAQQO-HOCLYGCPSA-N 1 0 427.763 4.164 20 0 IIADRO Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164970907 722112081 /nfs/dbraw/zinc/11/20/81/722112081.db2.gz AMFFNPNXLJBSEE-LPHOPBHVSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970909 722112193 /nfs/dbraw/zinc/11/21/93/722112193.db2.gz AMFFNPNXLJBSEE-QFBILLFUSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978257 722119284 /nfs/dbraw/zinc/11/92/84/722119284.db2.gz OCKSIUAPRXFONV-RXVVDRJESA-N 1 0 426.923 4.150 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982471 722128736 /nfs/dbraw/zinc/12/87/36/722128736.db2.gz WPOYLCBGSGVXNY-UGKGYDQZSA-N 1 0 437.975 4.022 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976088 722144587 /nfs/dbraw/zinc/14/45/87/722144587.db2.gz HAXNIRSPULDYLY-FGZHOGPDSA-N 1 0 449.986 4.228 20 0 IIADRO Clc1cccc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976166 722152720 /nfs/dbraw/zinc/15/27/20/722152720.db2.gz UNBRWQRFWIXNHC-LPHOPBHVSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1ccc(F)c2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975320 722157173 /nfs/dbraw/zinc/15/71/73/722157173.db2.gz SHSCPZJOKWWIDQ-OXJNMPFZSA-N 1 0 444.913 4.289 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977226 722157920 /nfs/dbraw/zinc/15/79/20/722157920.db2.gz YGQFGMRMAYXYBR-GHTZIAJQSA-N 1 0 448.945 4.280 20 0 IIADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971234 722158698 /nfs/dbraw/zinc/15/86/98/722158698.db2.gz BDWXJBXRMUBYQZ-QUCCMNQESA-N 1 0 426.923 4.150 20 0 IIADRO COc1cc2nc(C)nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994492 722200483 /nfs/dbraw/zinc/20/04/83/722200483.db2.gz IFFXDHKQCAVCON-VWLOTQADSA-N 1 0 436.531 4.339 20 0 IIADRO COC(=O)c1cc2c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996663 722205089 /nfs/dbraw/zinc/20/50/89/722205089.db2.gz UZDHBMGYILOCGC-HSZRJFAPSA-N 1 0 442.922 4.387 20 0 IIADRO CCOc1cc(C[NH2+][C@H](CO)Cc2ccccc2)cc(Br)c1OC(F)F ZINC000438354795 1126093195 /nfs/dbraw/zinc/09/31/95/1126093195.db2.gz LVKKWMAGYWRBNL-HNNXBMFYSA-N 1 0 430.289 4.142 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507951423 1126095241 /nfs/dbraw/zinc/09/52/41/1126095241.db2.gz UMPAKDXIWSKFEP-AWEZNQCLSA-N 1 0 425.273 4.225 20 0 IIADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cnc12 ZINC000680121402 1126105602 /nfs/dbraw/zinc/10/56/02/1126105602.db2.gz VLONDYFZJZNPAG-DLBZAZTESA-N 1 0 442.279 4.029 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1C ZINC001202675591 1126157316 /nfs/dbraw/zinc/15/73/16/1126157316.db2.gz GEDCOIIPPTXAJD-MRXNPFEDSA-N 1 0 442.195 4.104 20 0 IIADRO Cc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001308393584 1126165597 /nfs/dbraw/zinc/16/55/97/1126165597.db2.gz YCGKJSKUSCDTEU-OAHLLOKOSA-N 1 0 431.143 4.352 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1Br ZINC001308479793 1126166829 /nfs/dbraw/zinc/16/68/29/1126166829.db2.gz NBQQKGTXKDFOLL-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC001473839170 1126199583 /nfs/dbraw/zinc/19/95/83/1126199583.db2.gz UJEFUGXUMLOPGC-XMMPIXPASA-N 1 0 426.944 4.406 20 0 IIADRO OC[C@]1([NH2+]Cc2ccccc2Br)CCc2cc(Br)ccc2C1 ZINC001474208503 1126202512 /nfs/dbraw/zinc/20/25/12/1126202512.db2.gz IKDFPSGGOUSVOG-SFHVURJKSA-N 1 0 425.164 4.221 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 ZINC001474258309 1126204093 /nfs/dbraw/zinc/20/40/93/1126204093.db2.gz URQXFICZDQMFDY-MHZLTWQESA-N 1 0 445.563 4.314 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001560183556 1126209324 /nfs/dbraw/zinc/20/93/24/1126209324.db2.gz SBPGBIWLUQFYHE-NRFANRHFSA-N 1 0 428.330 4.115 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(C(=O)Nc3ccccc3)c2)cc1OC ZINC001560184925 1126209857 /nfs/dbraw/zinc/20/98/57/1126209857.db2.gz PDBQTJSSINBHDY-AREMUKBSSA-N 1 0 434.536 4.039 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC001620624359 1126241553 /nfs/dbraw/zinc/24/15/53/1126241553.db2.gz VKKSYWDJTFUDNV-FQEVSTJZSA-N 1 0 437.284 4.466 20 0 IIADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(Cl)c1OC ZINC001621022375 1126244551 /nfs/dbraw/zinc/24/45/51/1126244551.db2.gz UHQCGMVDBIJKNA-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001621486890 1126246714 /nfs/dbraw/zinc/24/67/14/1126246714.db2.gz GRBOPPHRTQXPDC-IBGZPJMESA-N 1 0 425.747 4.311 20 0 IIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)n1 ZINC001164423750 718946900 /nfs/dbraw/zinc/94/69/00/718946900.db2.gz KFLXGIHUOPUTFE-UNMCSNQZSA-N 1 0 441.604 4.496 20 0 IIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C[C@H]4[C@@H](F)C3)c21 ZINC001164431356 718963744 /nfs/dbraw/zinc/96/37/44/718963744.db2.gz OJYGFZRBDIIHFA-LMMKCTJWSA-N 1 0 441.934 4.191 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164619651 719007689 /nfs/dbraw/zinc/00/76/89/719007689.db2.gz WNHWOXYWJKZUIA-KUHUBIRLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC2)CC1 ZINC001164618381 719026039 /nfs/dbraw/zinc/02/60/39/719026039.db2.gz VFKBUQOASPHONP-INIZCTEOSA-N 1 0 442.629 4.060 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(SC)cnc3Cl)CC2)CC1 ZINC001164616362 719031044 /nfs/dbraw/zinc/03/10/44/719031044.db2.gz BYEXZMNERJEHCE-UHFFFAOYSA-N 1 0 447.979 4.246 20 0 IIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)cc1 ZINC001164616628 719037361 /nfs/dbraw/zinc/03/73/61/719037361.db2.gz XSXLPQAFMKORLH-UHFFFAOYSA-N 1 0 435.902 4.169 20 0 IIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@@H]3C2)cc1 ZINC001164624229 719098840 /nfs/dbraw/zinc/09/88/40/719098840.db2.gz DQYNZZTVCNHYDB-FYYLOGMGSA-N 1 0 428.536 4.016 20 0 IIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624947 719106900 /nfs/dbraw/zinc/10/69/00/719106900.db2.gz FPXQGWUYEVLRJD-ROUUACIJSA-N 1 0 445.901 4.431 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccsc43)CC2)c2ccccc21 ZINC001164684509 719663930 /nfs/dbraw/zinc/66/39/30/719663930.db2.gz XQNQDTJVDKJHFJ-FQEVSTJZSA-N 1 0 448.636 4.390 20 0 IIADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)C)n1 ZINC001164680072 719677785 /nfs/dbraw/zinc/67/77/85/719677785.db2.gz BIXMSZJHIFHBDV-OAQYLSRUSA-N 1 0 449.643 4.002 20 0 IIADRO CCOC(=O)c1cc2ccc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)[nH]c-2n1 ZINC001164691567 719811287 /nfs/dbraw/zinc/81/12/87/719811287.db2.gz HKVKEZSYYBMQNG-UHFFFAOYSA-N 1 0 439.585 4.140 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(N4CCCCCC4)n2)CC3)cs1 ZINC001164692230 719815245 /nfs/dbraw/zinc/81/52/45/719815245.db2.gz OWLVRQXJCBLUQQ-UHFFFAOYSA-N 1 0 426.634 4.257 20 0 IIADRO CSc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)CCCC2 ZINC001164696037 719891206 /nfs/dbraw/zinc/89/12/06/719891206.db2.gz VMWDXSNWHSQJKC-UHFFFAOYSA-N 1 0 430.643 4.010 20 0 IIADRO CCCN(CCC)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164699285 719895393 /nfs/dbraw/zinc/89/53/93/719895393.db2.gz YVNPOJSRTUYGGS-UHFFFAOYSA-N 1 0 429.634 4.036 20 0 IIADRO COc1ccc(-c2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncn2)cc1 ZINC001164707935 719899138 /nfs/dbraw/zinc/89/91/38/719899138.db2.gz ZTTQAQXNNKVFJH-UHFFFAOYSA-N 1 0 436.581 4.085 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164719518 720115316 /nfs/dbraw/zinc/11/53/16/720115316.db2.gz XYTITXGQFOFALX-HSZRJFAPSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716991 720118038 /nfs/dbraw/zinc/11/80/38/720118038.db2.gz MXDTWSFFFFDAJC-QFIPXVFZSA-N 1 0 446.595 4.454 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164718581 720120714 /nfs/dbraw/zinc/12/07/14/720120714.db2.gz SQAKQTRLVWEJLZ-OAQYLSRUSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813697 720166081 /nfs/dbraw/zinc/16/60/81/720166081.db2.gz DMRXKGBDBQLAME-UZUQRXQVSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819048 720175753 /nfs/dbraw/zinc/17/57/53/720175753.db2.gz VSRAIEQAPCPTFM-HYBUGGRVSA-N 1 0 426.992 4.290 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811481 720197537 /nfs/dbraw/zinc/19/75/37/720197537.db2.gz IKTAFYUZCJDZSD-GAJHUEQPSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810166 720205536 /nfs/dbraw/zinc/20/55/36/720205536.db2.gz ABFBXVHYPXDIRS-NQIIRXRSSA-N 1 0 425.951 4.342 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810749 720206489 /nfs/dbraw/zinc/20/64/89/720206489.db2.gz CKWLYJVTUWDSIO-UZUQRXQVSA-N 1 0 433.955 4.221 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(C3CCCCC3)n2)CC1 ZINC001164824975 720352499 /nfs/dbraw/zinc/35/24/99/720352499.db2.gz IIQQOSNWDUTCOL-NHCUHLMSSA-N 1 0 446.039 4.089 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]21 ZINC001164838964 720546223 /nfs/dbraw/zinc/54/62/23/720546223.db2.gz PESZVLUPIAUHDP-HKBOAZHASA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839159 720548186 /nfs/dbraw/zinc/54/81/86/720548186.db2.gz PRKTUFVSWSARAM-JAXLGGSGSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1C ZINC001164834016 720565197 /nfs/dbraw/zinc/56/51/97/720565197.db2.gz CGBIRMGYWIDJLR-CNNODRBYSA-N 1 0 439.007 4.474 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833706 720570052 /nfs/dbraw/zinc/57/00/52/720570052.db2.gz BERXCBYORHOMEK-NNMXDRDESA-N 1 0 439.991 4.471 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836190 720588225 /nfs/dbraw/zinc/58/82/25/720588225.db2.gz FDPDADFQZXZBMR-NNMXDRDESA-N 1 0 432.012 4.488 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]21 ZINC001164839302 720631425 /nfs/dbraw/zinc/63/14/25/720631425.db2.gz NEXSMUNGICZNFR-VABKMULXSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838248 720652966 /nfs/dbraw/zinc/65/29/66/720652966.db2.gz GTVHDABGUAEXJG-LLGFUMIMSA-N 1 0 449.977 4.343 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843194 720656636 /nfs/dbraw/zinc/65/66/36/720656636.db2.gz UVHVRVMIJGEXIS-LJQANCHMSA-N 1 0 443.975 4.172 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164840963 720726399 /nfs/dbraw/zinc/72/63/99/720726399.db2.gz TVSWSZLQYFZSIC-QHCPKHFHSA-N 1 0 436.600 4.306 20 0 IIADRO CSc1cnc(Cl)c(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001164838616 720738668 /nfs/dbraw/zinc/73/86/68/720738668.db2.gz SZGGYQYMHZTHPA-UHFFFAOYSA-N 1 0 427.952 4.251 20 0 IIADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164845313 720740401 /nfs/dbraw/zinc/74/04/01/720740401.db2.gz ZJPRXKZCFLGJOC-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745162 720833992 /nfs/dbraw/zinc/83/39/92/720833992.db2.gz MCBAUFLBCJSLRR-CNNODRBYSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740482 720839981 /nfs/dbraw/zinc/83/99/81/720839981.db2.gz BZAHCCCHMNEJRG-OKZBNKHCSA-N 1 0 443.020 4.229 20 0 IIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740000 720840571 /nfs/dbraw/zinc/84/05/71/720840571.db2.gz BKVSGGKUNIDVQK-RZUBCFFCSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1nc2ccsc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755518 720868868 /nfs/dbraw/zinc/86/88/68/720868868.db2.gz YCYNDEWIPCTINY-SQJMNOBHSA-N 1 0 449.624 4.150 20 0 IIADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164747958 720870362 /nfs/dbraw/zinc/87/03/62/720870362.db2.gz CWGWCFXHQHUWDR-SQHAQQRYSA-N 1 0 428.580 4.385 20 0 IIADRO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754860 720873091 /nfs/dbraw/zinc/87/30/91/720873091.db2.gz UFEJELRHYQBNIL-BVAGGSTKSA-N 1 0 435.616 4.059 20 0 IIADRO Cc1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754589 720879373 /nfs/dbraw/zinc/87/93/73/720879373.db2.gz SBQGTOVLJMEMGX-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO c1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164751736 720882119 /nfs/dbraw/zinc/88/21/19/720882119.db2.gz DDXGVQRQKSVTFP-DHLKQENFSA-N 1 0 434.609 4.446 20 0 IIADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757432 720884360 /nfs/dbraw/zinc/88/43/60/720884360.db2.gz UPSPASUHFVFFGX-CVDCTZTESA-N 1 0 430.955 4.024 20 0 IIADRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1Cl ZINC001164758451 720885416 /nfs/dbraw/zinc/88/54/16/720885416.db2.gz YEMPDQPOPOXERE-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1Cl ZINC001164758453 720885775 /nfs/dbraw/zinc/88/57/75/720885775.db2.gz YEMPDQPOPOXERE-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752832 720897769 /nfs/dbraw/zinc/89/77/69/720897769.db2.gz GAZOLMDQDAXUCR-BKMJKUGQSA-N 1 0 431.584 4.021 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746480 720909856 /nfs/dbraw/zinc/90/98/56/720909856.db2.gz AVDWYBHLNMDFSQ-ZEQKJWHPSA-N 1 0 435.616 4.059 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746478 720911010 /nfs/dbraw/zinc/91/10/10/720911010.db2.gz AVDWYBHLNMDFSQ-JYFHCDHNSA-N 1 0 435.616 4.059 20 0 IIADRO CSCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755208 720923969 /nfs/dbraw/zinc/92/39/69/720923969.db2.gz ZUCKQZICNFNDPY-NOZRDPDXSA-N 1 0 438.641 4.095 20 0 IIADRO CCSc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164746538 720930542 /nfs/dbraw/zinc/93/05/42/720930542.db2.gz BLHKVOLJPHPBBN-RDGATRHJSA-N 1 0 438.641 4.344 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@H]2C ZINC001164864193 720977278 /nfs/dbraw/zinc/97/72/78/720977278.db2.gz ZGIDWXFHUWXCJX-AWEZNQCLSA-N 1 0 445.930 4.074 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@H]2C ZINC001164860607 720977476 /nfs/dbraw/zinc/97/74/76/720977476.db2.gz PEEXGUKODGBFMT-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763814 721031763 /nfs/dbraw/zinc/03/17/63/721031763.db2.gz LJSUZCCUTWFHMZ-MZKUHISZSA-N 1 0 436.600 4.368 20 0 IIADRO c1sc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164866059 721065671 /nfs/dbraw/zinc/06/56/71/721065671.db2.gz CEROQXOHUVYVKC-RTWAWAEBSA-N 1 0 443.576 4.233 20 0 IIADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865458 721076352 /nfs/dbraw/zinc/07/63/52/721076352.db2.gz LLRIGQZORBRNNQ-DHIUTWEWSA-N 1 0 437.547 4.172 20 0 IIADRO c1ccc(-c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865379 721083237 /nfs/dbraw/zinc/08/32/37/721083237.db2.gz KQNGVEJGKCDRJY-GOTSBHOMSA-N 1 0 437.547 4.172 20 0 IIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867420 721105580 /nfs/dbraw/zinc/10/55/80/721105580.db2.gz YJRGNHQIXDXGND-RBUKOAKNSA-N 1 0 444.913 4.308 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782312 721354602 /nfs/dbraw/zinc/35/46/02/721354602.db2.gz MYNRZKLDZJPAAN-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164786912 721454905 /nfs/dbraw/zinc/45/49/05/721454905.db2.gz OQRDWMIYJRRLRP-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164785104 721456911 /nfs/dbraw/zinc/45/69/11/721456911.db2.gz GNGHNQBHNPDEAS-QGZVFWFLSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164786398 721457424 /nfs/dbraw/zinc/45/74/24/721457424.db2.gz MJGKBZPNFSJZII-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164784035 721462519 /nfs/dbraw/zinc/46/25/19/721462519.db2.gz GRULHSOCEXPLGU-GOSISDBHSA-N 1 0 440.053 4.191 20 0 IIADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792585 721490361 /nfs/dbraw/zinc/49/03/61/721490361.db2.gz KZQSPFPOSOKVTH-UHFFFAOYSA-N 1 0 445.567 4.083 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164797062 721502031 /nfs/dbraw/zinc/50/20/31/721502031.db2.gz YKYOHQCYZKEKPY-UHFFFAOYSA-N 1 0 439.567 4.092 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164800681 721541774 /nfs/dbraw/zinc/54/17/74/721541774.db2.gz DCKKEDVAXWNXAQ-VWPQPMDRSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807158 721548379 /nfs/dbraw/zinc/54/83/79/721548379.db2.gz PQQJIFPSVQMGLZ-DWLFOUALSA-N 1 0 444.366 4.200 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911876 721556841 /nfs/dbraw/zinc/55/68/41/721556841.db2.gz ZSBQVZRZIJGPES-RDJZCZTQSA-N 1 0 448.876 4.309 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@H]2CCCO[C@@H]12 ZINC001164799594 721575247 /nfs/dbraw/zinc/57/52/47/721575247.db2.gz CYAJMDAOUWRLPV-MIZPHKNDSA-N 1 0 437.632 4.335 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799991 721592031 /nfs/dbraw/zinc/59/20/31/721592031.db2.gz BBKZOMKWCABDPK-PTLVVNQVSA-N 1 0 438.959 4.160 20 0 IIADRO FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906985 721692731 /nfs/dbraw/zinc/69/27/31/721692731.db2.gz QCISOAFUKBEXFU-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903763 721696848 /nfs/dbraw/zinc/69/68/48/721696848.db2.gz CCLCGOFRKHVZBI-HXUWFJFHSA-N 1 0 432.906 4.052 20 0 IIADRO CCCN(CCC)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904778 721716247 /nfs/dbraw/zinc/71/62/47/721716247.db2.gz DCKKKHHPKDPSHN-HSZRJFAPSA-N 1 0 444.574 4.236 20 0 IIADRO FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906073 721720751 /nfs/dbraw/zinc/72/07/51/721720751.db2.gz JQWLFTQLNFYYPI-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO CCc1nc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912130 721729160 /nfs/dbraw/zinc/72/91/60/721729160.db2.gz MBJXGJBNWWRDOM-IBGZPJMESA-N 1 0 442.341 4.479 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]21 ZINC001165020318 721805661 /nfs/dbraw/zinc/80/56/61/721805661.db2.gz FDEPDAOCGKDFBR-UKPHBRMFSA-N 1 0 442.341 4.460 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165025120 721811058 /nfs/dbraw/zinc/81/10/58/721811058.db2.gz LLGNILCOXZUBSE-IEZWGBDMSA-N 1 0 436.934 4.420 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1 ZINC001164917071 721811534 /nfs/dbraw/zinc/81/15/34/721811534.db2.gz KDUVVLHLUVVQRY-FBHSLPMESA-N 1 0 442.629 4.286 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165022650 721814853 /nfs/dbraw/zinc/81/48/53/721814853.db2.gz GLGAIHHDWIPAQI-BHYGNILZSA-N 1 0 428.993 4.180 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@H]21 ZINC001165027672 721816346 /nfs/dbraw/zinc/81/63/46/721816346.db2.gz VMHQOKFCKXTULV-NQHRYMMQSA-N 1 0 429.568 4.188 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026815 721819349 /nfs/dbraw/zinc/81/93/49/721819349.db2.gz RMIZSVHYPDFKDM-YTQUADARSA-N 1 0 439.995 4.193 20 0 IIADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019938 721825439 /nfs/dbraw/zinc/82/54/39/721825439.db2.gz CNXYFBVDEIYCQX-APTRMMRNSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019943 721825569 /nfs/dbraw/zinc/82/55/69/721825569.db2.gz CNXYFBVDEIYCQX-NGYIFUPDSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncn2)cc1 ZINC001165021507 721825597 /nfs/dbraw/zinc/82/55/97/721825597.db2.gz FWQCLJXGMMQIEX-ZWSUVBHBSA-N 1 0 429.568 4.284 20 0 IIADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028383 721827714 /nfs/dbraw/zinc/82/77/14/721827714.db2.gz VRLXYVZYFOKASP-SSPYTLHUSA-N 1 0 428.584 4.287 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c(Cl)cccc32)CC1 ZINC001165023396 721839083 /nfs/dbraw/zinc/83/90/83/721839083.db2.gz WHXKGEHJVIMLQJ-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3cc(Cl)ncc32)CC1 ZINC001165023552 721839960 /nfs/dbraw/zinc/83/99/60/721839960.db2.gz ZTVHLKQHURKGFM-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001165022349 721840074 /nfs/dbraw/zinc/84/00/74/721840074.db2.gz RLZNEZQBUVMRII-UHFFFAOYSA-N 1 0 446.979 4.013 20 0 IIADRO CCc1nc2sccc2c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031161 721844656 /nfs/dbraw/zinc/84/46/56/721844656.db2.gz VSVSVEUMQSEZAU-UHFFFAOYSA-N 1 0 426.586 4.372 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929248 721878991 /nfs/dbraw/zinc/87/89/91/721878991.db2.gz AWAVGJCEEBSSQJ-MOPGFXCFSA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164934608 721885146 /nfs/dbraw/zinc/88/51/46/721885146.db2.gz SOXZJOOUSYGKDY-WOJBJXKFSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164935323 721890550 /nfs/dbraw/zinc/89/05/50/721890550.db2.gz VLJYPTPNXWXPPT-RTWAWAEBSA-N 1 0 434.962 4.470 20 0 IIADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)C3)co1 ZINC001164930036 721901668 /nfs/dbraw/zinc/90/16/68/721901668.db2.gz KIARYTUFEWOHEO-QPPBQGQZSA-N 1 0 429.568 4.438 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CCCC5)CC3)C2)cc1 ZINC001164939822 721922652 /nfs/dbraw/zinc/92/26/52/721922652.db2.gz NTKUEXWPZUYEOE-UHFFFAOYSA-N 1 0 426.992 4.189 20 0 IIADRO COc1ccccc1-c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939688 721931434 /nfs/dbraw/zinc/93/14/34/721931434.db2.gz OMTDNHIZMFBUCU-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048371 721969028 /nfs/dbraw/zinc/96/90/28/721969028.db2.gz OXYBRSQDXRLGCL-MRXNPFEDSA-N 1 0 442.938 4.087 20 0 IIADRO COc1ccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)c(OC)c1OC ZINC001165046566 721977855 /nfs/dbraw/zinc/97/78/55/721977855.db2.gz ADQGIGFZXASNQR-GOSISDBHSA-N 1 0 426.561 4.014 20 0 IIADRO c1cncc(-c2ccc3nc(C4CCN(c5ccc(C[NH+]6CCCC6)cn5)CC4)nn3c2)c1 ZINC001164956912 722049821 /nfs/dbraw/zinc/04/98/21/722049821.db2.gz DXHYRAPXLIXNLK-UHFFFAOYSA-N 1 0 439.567 4.166 20 0 IIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962971 722057379 /nfs/dbraw/zinc/05/73/79/722057379.db2.gz GHOOXXTUJZANII-UHFFFAOYSA-N 1 0 436.934 4.102 20 0 IIADRO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164962605 722059423 /nfs/dbraw/zinc/05/94/23/722059423.db2.gz UVWMQULGBHMHFE-UHFFFAOYSA-N 1 0 425.964 4.039 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)nc1 ZINC001164985201 722098141 /nfs/dbraw/zinc/09/81/41/722098141.db2.gz VKWZYPIUUSGVGP-QENXHYHDSA-N 1 0 433.600 4.174 20 0 IIADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983490 722101943 /nfs/dbraw/zinc/10/19/43/722101943.db2.gz QLYDYBQAFCQJEH-YJBOKZPZSA-N 1 0 443.325 4.056 20 0 IIADRO CC(C)(C)c1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975538 722107505 /nfs/dbraw/zinc/10/75/05/722107505.db2.gz CHZBJQCYCLTIDP-ICSRJNTNSA-N 1 0 437.613 4.111 20 0 IIADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978261 722119392 /nfs/dbraw/zinc/11/93/92/722119392.db2.gz OCKSIUAPRXFONV-WIYYLYMNSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cccc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976170 722152864 /nfs/dbraw/zinc/15/28/64/722152864.db2.gz UNBRWQRFWIXNHC-VQIMIIECSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972222 722152958 /nfs/dbraw/zinc/15/29/58/722152958.db2.gz HCFLDEMFAZUKLF-PGRDOPGGSA-N 1 0 426.923 4.150 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977234 722158429 /nfs/dbraw/zinc/15/84/29/722158429.db2.gz YGQFGMRMAYXYBR-RXVVDRJESA-N 1 0 448.945 4.280 20 0 IIADRO CC(C)NC(=O)c1ccc2c(c1)C1(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC1)C(=O)N2 ZINC001164992168 722187976 /nfs/dbraw/zinc/18/79/76/722187976.db2.gz XESDAFXRCSEYOQ-UHFFFAOYSA-N 1 0 440.975 4.094 20 0 IIADRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cc(C[NH+](C)C)ccn2)CC1 ZINC001164992211 722189199 /nfs/dbraw/zinc/18/91/99/722189199.db2.gz XYHYTQARKCTWEC-UHFFFAOYSA-N 1 0 430.552 4.243 20 0 IIADRO CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995731 722197286 /nfs/dbraw/zinc/19/72/86/722197286.db2.gz XKSQLEUSAUHEIR-HSZRJFAPSA-N 1 0 427.524 4.208 20 0 IIADRO O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605197 1126094892 /nfs/dbraw/zinc/09/48/92/1126094892.db2.gz RWKJSVNVYZPHAF-UXHICEINSA-N 1 0 439.428 4.277 20 0 IIADRO CCOc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1OC ZINC000604766810 1126100631 /nfs/dbraw/zinc/10/06/31/1126100631.db2.gz RTGGMKQPRNTYRK-INIZCTEOSA-N 1 0 433.346 4.031 20 0 IIADRO COc1cc(Cl)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001179146763 1126151551 /nfs/dbraw/zinc/15/15/51/1126151551.db2.gz CTUFPFDFQAHPHD-HXUWFJFHSA-N 1 0 440.765 4.129 20 0 IIADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001179278759 1126152198 /nfs/dbraw/zinc/15/21/98/1126152198.db2.gz ZHARMLLVSFVBSL-OAQYLSRUSA-N 1 0 432.337 4.166 20 0 IIADRO CCOc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc1OCCOc1ccc(F)cc1 ZINC001204002965 1126159240 /nfs/dbraw/zinc/15/92/40/1126159240.db2.gz ZGGKWRJTECCGKD-ZEQKJWHPSA-N 1 0 437.511 4.430 20 0 IIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001203120357 1126157786 /nfs/dbraw/zinc/15/77/86/1126157786.db2.gz XMQCIERRRMDSBL-QFIPXVFZSA-N 1 0 444.348 4.092 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3ccccc3Br)nc2C)cc1 ZINC001203581174 1126158782 /nfs/dbraw/zinc/15/87/82/1126158782.db2.gz JMHRZFFNUBTIRE-JOCHJYFZSA-N 1 0 444.373 4.035 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)cc(Br)c2)cc1 ZINC001203581277 1126159053 /nfs/dbraw/zinc/15/90/53/1126159053.db2.gz KVCQRYWSQVMAPI-SFHVURJKSA-N 1 0 443.179 4.304 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001308119018 1126164428 /nfs/dbraw/zinc/16/44/28/1126164428.db2.gz XZBXLQJKYMGDNT-GOSISDBHSA-N 1 0 443.172 4.487 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1I ZINC001461203955 1126193851 /nfs/dbraw/zinc/19/38/51/1126193851.db2.gz OIXOBPOHLRJBAQ-HNNXBMFYSA-N 1 0 440.712 4.119 20 0 IIADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688729 1126191441 /nfs/dbraw/zinc/19/14/41/1126191441.db2.gz FUNRUCSNXZIBOT-UNMCSNQZSA-N 1 0 434.433 4.424 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)cc1OC ZINC001473839557 1126199799 /nfs/dbraw/zinc/19/97/99/1126199799.db2.gz DKISFUFDXLFSAY-QFIPXVFZSA-N 1 0 434.508 4.189 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(OCC(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001474208592 1126202470 /nfs/dbraw/zinc/20/24/70/1126202470.db2.gz KNGAGSFUMADCMU-HXUWFJFHSA-N 1 0 426.301 4.103 20 0 IIADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001474226929 1126203143 /nfs/dbraw/zinc/20/31/43/1126203143.db2.gz NPMSCGSSECQHEZ-QFIPXVFZSA-N 1 0 434.374 4.195 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC001474227062 1126203362 /nfs/dbraw/zinc/20/33/62/1126203362.db2.gz OZJFRUYXEIYYME-HXUWFJFHSA-N 1 0 440.765 4.347 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1I ZINC001560182182 1126208270 /nfs/dbraw/zinc/20/82/70/1126208270.db2.gz BBGDYCJKMFKTDZ-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001560975889 1126214560 /nfs/dbraw/zinc/21/45/60/1126214560.db2.gz LOFQUNSGVKJNGX-LJQANCHMSA-N 1 0 425.747 4.311 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1OC ZINC001621057802 1126245716 /nfs/dbraw/zinc/24/57/16/1126245716.db2.gz TXONXZLUGNFXOJ-DEOSSOPVSA-N 1 0 426.488 4.114 20 0 IIADRO COc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000020927253 521777839 /nfs/dbraw/zinc/77/78/39/521777839.db2.gz WXLROPVDUJTIFT-UHFFFAOYSA-N 1 0 429.108 4.239 20 0 IIADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000040722885 556648449 /nfs/dbraw/zinc/64/84/49/556648449.db2.gz WMJDZCKPLAKIIX-UHFFFAOYSA-N 1 0 448.947 4.038 20 0 IIADRO [NH3+]C1CC2(C1)CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164386662 718802272 /nfs/dbraw/zinc/80/22/72/718802272.db2.gz CGPZWDBFUUDOIX-UHFFFAOYSA-N 1 0 425.646 4.264 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406883 718865451 /nfs/dbraw/zinc/86/54/51/718865451.db2.gz HTCMPXWVMZVYQX-FOIQADDNSA-N 1 0 444.913 4.310 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415365 718886030 /nfs/dbraw/zinc/88/60/30/718886030.db2.gz HNAVGCHWHNADKP-UHFFFAOYSA-N 1 0 436.938 4.018 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC[C@H]5[NH2+]C[C@@H]54)c23)c1 ZINC001164448275 719000198 /nfs/dbraw/zinc/00/01/98/719000198.db2.gz GRCNPXUUOCNPNJ-SJORKVTESA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164619658 719007779 /nfs/dbraw/zinc/00/77/79/719007779.db2.gz WPAMNOOEBWQLOI-DNVCBOLYSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(CSc4ccccc4)n3)CC2)CC1 ZINC001164617621 719034798 /nfs/dbraw/zinc/03/47/98/719034798.db2.gz OAEQVIKYMOKQLN-UHFFFAOYSA-N 1 0 440.613 4.013 20 0 IIADRO c1ccc(CN2CCc3ncnc(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)c3C2)cc1 ZINC001164629088 719062109 /nfs/dbraw/zinc/06/21/09/719062109.db2.gz VLSJEFQZMJZSEL-SQHAQQRYSA-N 1 0 439.607 4.136 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619071 719067257 /nfs/dbraw/zinc/06/72/57/719067257.db2.gz CGJRAGXDDLHLQW-FUHWJXTLSA-N 1 0 435.902 4.167 20 0 IIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629922 719092304 /nfs/dbraw/zinc/09/23/04/719092304.db2.gz UFUDNYWSOGNYBO-LPHOPBHVSA-N 1 0 429.902 4.324 20 0 IIADRO O=C(c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630523 719099835 /nfs/dbraw/zinc/09/98/35/719099835.db2.gz WTZCIHIBTHLVQG-REWPJTCUSA-N 1 0 439.003 4.462 20 0 IIADRO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1 ZINC001164627465 719103574 /nfs/dbraw/zinc/10/35/74/719103574.db2.gz KWDIGCNUYCOYAD-GBXCKJPGSA-N 1 0 430.552 4.262 20 0 IIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@@H]2CF)CC1 ZINC001164619562 719123415 /nfs/dbraw/zinc/12/34/15/719123415.db2.gz FGZQKJUIXSYLGQ-MAUKXSAKSA-N 1 0 425.882 4.372 20 0 IIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]2CF)CC1 ZINC001164619563 719123726 /nfs/dbraw/zinc/12/37/26/719123726.db2.gz FGZQKJUIXSYLGQ-QAPCUYQASA-N 1 0 425.882 4.372 20 0 IIADRO O=C1CCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001164645361 719286553 /nfs/dbraw/zinc/28/65/53/719286553.db2.gz GTTKVWRAYUYGBO-UHFFFAOYSA-N 1 0 425.960 4.316 20 0 IIADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671626 719445069 /nfs/dbraw/zinc/44/50/69/719445069.db2.gz QNIYPCANORLKCE-DLBZAZTESA-N 1 0 446.523 4.096 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)c2c1CC[NH2+]C2 ZINC001164680554 719646596 /nfs/dbraw/zinc/64/65/96/719646596.db2.gz VWLDSZWVIQBLPG-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC3)cs1 ZINC001164692139 719812065 /nfs/dbraw/zinc/81/20/65/719812065.db2.gz MHAFICOZNCHBIQ-UHFFFAOYSA-N 1 0 445.992 4.364 20 0 IIADRO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696104 719891853 /nfs/dbraw/zinc/89/18/53/719891853.db2.gz XGSVWOPDJHWHTK-UHFFFAOYSA-N 1 0 444.988 4.225 20 0 IIADRO CSc1nc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696651 719893853 /nfs/dbraw/zinc/89/38/53/719893853.db2.gz GMHDMLWGTUYJJH-UHFFFAOYSA-N 1 0 426.611 4.285 20 0 IIADRO COc1cccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164707363 719898288 /nfs/dbraw/zinc/89/82/88/719898288.db2.gz QMCSRAHJLKQMPN-UHFFFAOYSA-N 1 0 436.581 4.085 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812220 720101358 /nfs/dbraw/zinc/10/13/58/720101358.db2.gz PYCGODOMVZSTEE-LAUBAEHRSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810445 720103032 /nfs/dbraw/zinc/10/30/32/720103032.db2.gz JTDNWVQTMODSNH-WXVAWEFUSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164719566 720115554 /nfs/dbraw/zinc/11/55/54/720115554.db2.gz ZBUPJEJKXAGMBQ-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164718582 720124471 /nfs/dbraw/zinc/12/44/71/720124471.db2.gz STJKJIFIAQQNLK-IBGZPJMESA-N 1 0 425.964 4.070 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164713034 720130570 /nfs/dbraw/zinc/13/05/70/720130570.db2.gz PDXHUYUAGZMLLG-OAQYLSRUSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164713033 720130734 /nfs/dbraw/zinc/13/07/34/720130734.db2.gz PDXHUYUAGZMLLG-NRFANRHFSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164711723 720148424 /nfs/dbraw/zinc/14/84/24/720148424.db2.gz IKVUPYRZZNVASN-OAQYLSRUSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164713065 720149142 /nfs/dbraw/zinc/14/91/42/720149142.db2.gz PYGLDHGRPNYTNK-JOCHJYFZSA-N 1 0 449.624 4.416 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164713040 720152039 /nfs/dbraw/zinc/15/20/39/720152039.db2.gz PEWMNZYLZJLCSU-OAQYLSRUSA-N 1 0 435.597 4.108 20 0 IIADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2c(Cl)cccc12 ZINC001164814484 720231001 /nfs/dbraw/zinc/23/10/01/720231001.db2.gz VAPHORAYZXKDJV-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc12 ZINC001164812049 720233367 /nfs/dbraw/zinc/23/33/67/720233367.db2.gz AWMCFPAWTXJJQS-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001164830781 720317163 /nfs/dbraw/zinc/31/71/63/720317163.db2.gz PVLGNLOUZASBFQ-YADHBBJMSA-N 1 0 439.003 4.314 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001164827499 720350850 /nfs/dbraw/zinc/35/08/50/720350850.db2.gz MJYJCCRYCWEZRC-OALUTQOASA-N 1 0 447.410 4.453 20 0 IIADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735678 720461787 /nfs/dbraw/zinc/46/17/87/720461787.db2.gz XLIZRUDWJISTLG-RTBURBONSA-N 1 0 430.537 4.108 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730209 720465752 /nfs/dbraw/zinc/46/57/52/720465752.db2.gz SVAFRMMDVUXVNU-CLJLJLNGSA-N 1 0 440.595 4.382 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841252 720521958 /nfs/dbraw/zinc/52/19/58/720521958.db2.gz XYXORXHHKUVBRO-BHIFYINESA-N 1 0 436.991 4.371 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1 ZINC001164731908 720529519 /nfs/dbraw/zinc/52/95/19/720529519.db2.gz BILQJRMCJHORBH-OAHLLOKOSA-N 1 0 449.908 4.481 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1 ZINC001164731904 720529821 /nfs/dbraw/zinc/52/98/21/720529821.db2.gz BILQJRMCJHORBH-HNNXBMFYSA-N 1 0 449.908 4.481 20 0 IIADRO Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001164734504 720534466 /nfs/dbraw/zinc/53/44/66/720534466.db2.gz JFXDHUGTCVIZSF-MRXNPFEDSA-N 1 0 446.933 4.045 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164840099 720579075 /nfs/dbraw/zinc/57/90/75/720579075.db2.gz OZXRVBWXSAJPFP-SGNDLWITSA-N 1 0 431.584 4.235 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C ZINC001164736641 720588473 /nfs/dbraw/zinc/58/84/73/720588473.db2.gz QAIGDRNINLAVPF-UHFFFAOYSA-N 1 0 436.991 4.269 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164839221 720623375 /nfs/dbraw/zinc/62/33/75/720623375.db2.gz MJSRFKYMCDXAKP-WRALFONMSA-N 1 0 446.599 4.117 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164840375 720659859 /nfs/dbraw/zinc/65/98/59/720659859.db2.gz LYEWSGAGUXHRDO-INIZCTEOSA-N 1 0 429.927 4.010 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164844537 720680900 /nfs/dbraw/zinc/68/09/00/720680900.db2.gz SVKKBHDHKVCAQD-OAQYLSRUSA-N 1 0 449.986 4.452 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164842672 720693068 /nfs/dbraw/zinc/69/30/68/720693068.db2.gz MLNGWSIEJOKEKZ-QGZVFWFLSA-N 1 0 436.934 4.122 20 0 IIADRO CSc1nc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2s1 ZINC001164837570 720703265 /nfs/dbraw/zinc/70/32/65/720703265.db2.gz DTGPMKULPHBUPE-KRWDZBQOSA-N 1 0 441.626 4.068 20 0 IIADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccncc2)n1 ZINC001164840894 720710678 /nfs/dbraw/zinc/71/06/78/720710678.db2.gz RUMMEJRPHKAXEM-HSZRJFAPSA-N 1 0 429.568 4.107 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164839857 720719377 /nfs/dbraw/zinc/71/93/77/720719377.db2.gz NVAXWTJXAPHALB-DEOSSOPVSA-N 1 0 428.580 4.327 20 0 IIADRO CCCSc1ncnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164842333 720727977 /nfs/dbraw/zinc/72/79/77/720727977.db2.gz YIVWSVBVTWTXES-HXUWFJFHSA-N 1 0 442.629 4.247 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740041 720837584 /nfs/dbraw/zinc/83/75/84/720837584.db2.gz BQUGPJAVBTZRCF-QMHWCDLVSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742965 720840901 /nfs/dbraw/zinc/84/09/01/720840901.db2.gz HOWMMARTIWGPOS-XQBPLPMBSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754311 720868569 /nfs/dbraw/zinc/86/85/69/720868569.db2.gz RBSLLLIGNZMSLE-SQJMNOBHSA-N 1 0 449.624 4.150 20 0 IIADRO c1ccc2c(c1)ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751501 720874658 /nfs/dbraw/zinc/87/46/58/720874658.db2.gz KLBWTGGJTNNZAM-SQHAQQRYSA-N 1 0 428.580 4.385 20 0 IIADRO Cc1ccc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753997 720878778 /nfs/dbraw/zinc/87/87/78/720878778.db2.gz QQGCZDVBTJGRKV-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747198 720880802 /nfs/dbraw/zinc/88/08/02/720880802.db2.gz ALCXYBYVDUUVIS-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164750017 720882300 /nfs/dbraw/zinc/88/23/00/720882300.db2.gz IHNNPCXLFADIMS-GJZUVCINSA-N 1 0 431.584 4.021 20 0 IIADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757434 720884090 /nfs/dbraw/zinc/88/40/90/720884090.db2.gz UPSPASUHFVFFGX-XXBNENTESA-N 1 0 430.955 4.024 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860632 720902188 /nfs/dbraw/zinc/90/21/88/720902188.db2.gz SHTNVENELRKUCY-OASJLCFRSA-N 1 0 448.611 4.186 20 0 IIADRO Cc1csc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754647 720903467 /nfs/dbraw/zinc/90/34/67/720903467.db2.gz WQMIOPQPLSFJCJ-PXDATVDWSA-N 1 0 449.624 4.150 20 0 IIADRO CSCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755211 720924049 /nfs/dbraw/zinc/92/40/49/720924049.db2.gz ZUCKQZICNFNDPY-UKILVPOCSA-N 1 0 438.641 4.095 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@H]2C ZINC001164857826 720964692 /nfs/dbraw/zinc/96/46/92/720964692.db2.gz HLRCJMJVYNOTOL-KRWDZBQOSA-N 1 0 440.979 4.327 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@H]2C ZINC001164857195 720970101 /nfs/dbraw/zinc/97/01/01/720970101.db2.gz CWAVLLYLTZLCKU-SFHVURJKSA-N 1 0 447.562 4.237 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@@H]2C ZINC001164859703 720999749 /nfs/dbraw/zinc/99/97/49/720999749.db2.gz LOHRIXSWFKFGAA-LJQANCHMSA-N 1 0 433.604 4.238 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@@H]2C ZINC001164858866 721004734 /nfs/dbraw/zinc/00/47/34/721004734.db2.gz IPRUQOIZPPTLCO-MRXNPFEDSA-N 1 0 433.585 4.371 20 0 IIADRO COc1ccc(Cc2c(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164863119 721016579 /nfs/dbraw/zinc/01/65/79/721016579.db2.gz SYRPYQJTEYVXJR-HXUWFJFHSA-N 1 0 448.615 4.311 20 0 IIADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759160 721043376 /nfs/dbraw/zinc/04/33/76/721043376.db2.gz IDANRAFHSRRWOX-UHFFFAOYSA-N 1 0 442.991 4.498 20 0 IIADRO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)c1 ZINC001164866269 721066931 /nfs/dbraw/zinc/06/69/31/721066931.db2.gz DKQMEOWRVAHWSU-MSOLQXFVSA-N 1 0 449.605 4.295 20 0 IIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872045 721175071 /nfs/dbraw/zinc/17/50/71/721175071.db2.gz GETOCQOSWUJPIU-IRXDYDNUSA-N 1 0 445.901 4.096 20 0 IIADRO Fc1ccc(F)c2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164867867 721190266 /nfs/dbraw/zinc/19/02/66/721190266.db2.gz ITGCIXCODQMQQV-JKSUJKDBSA-N 1 0 430.886 4.041 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772411 721199596 /nfs/dbraw/zinc/19/95/96/721199596.db2.gz UOBRYPWVTCPSLL-NHCUHLMSSA-N 1 0 442.542 4.128 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776124 721327729 /nfs/dbraw/zinc/32/77/29/721327729.db2.gz CSSXZVICMZGRJZ-IRLDBZIGSA-N 1 0 440.563 4.370 20 0 IIADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786191 721367596 /nfs/dbraw/zinc/36/75/96/721367596.db2.gz WSNZUHILNMQDGY-AREMUKBSSA-N 1 0 449.599 4.477 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164787747 721450103 /nfs/dbraw/zinc/45/01/03/721450103.db2.gz QBKNUJJCQYYLLB-LJQANCHMSA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164785302 721453939 /nfs/dbraw/zinc/45/39/39/721453939.db2.gz ILTZHKCIOKZFHS-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164785853 721460376 /nfs/dbraw/zinc/46/03/76/721460376.db2.gz OEPJIEPHOHQSDP-JOCHJYFZSA-N 1 0 427.564 4.108 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164790642 721468003 /nfs/dbraw/zinc/46/80/03/721468003.db2.gz SZTIOEAFRFJKKI-JOCHJYFZSA-N 1 0 427.564 4.108 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164791987 721493172 /nfs/dbraw/zinc/49/31/72/721493172.db2.gz INJMACFOVKCDMJ-UHFFFAOYSA-N 1 0 434.975 4.468 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164796362 721502134 /nfs/dbraw/zinc/50/21/34/721502134.db2.gz RLRZBJMNXJHRRL-UHFFFAOYSA-N 1 0 440.595 4.303 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@@H+]3C2)c1 ZINC001164899754 721514231 /nfs/dbraw/zinc/51/42/31/721514231.db2.gz MIGLCSNNVRISQJ-WBVHZDCISA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904633 721553636 /nfs/dbraw/zinc/55/36/36/721553636.db2.gz DZOTXWXLIGDYRS-CTNGQTDRSA-N 1 0 441.510 4.173 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@@H+]3C2)c1 ZINC001164910815 721559443 /nfs/dbraw/zinc/55/94/43/721559443.db2.gz XLDZYQMUSARKGQ-MJGOQNOKSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164905932 721562968 /nfs/dbraw/zinc/56/29/68/721562968.db2.gz IDEYYXPXYFEJDC-IEBWSBKVSA-N 1 0 447.539 4.234 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@@H+]3C2)c1 ZINC001164908028 721566725 /nfs/dbraw/zinc/56/67/25/721566725.db2.gz PGXFYVMDMLLISZ-HKUYNNGSSA-N 1 0 437.893 4.336 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@@H]12 ZINC001164802638 721590942 /nfs/dbraw/zinc/59/09/42/721590942.db2.gz HKZUCHLLXXFUET-LYHRCORUSA-N 1 0 444.913 4.430 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164799987 721592253 /nfs/dbraw/zinc/59/22/53/721592253.db2.gz BBKZOMKWCABDPK-IZIIKQMZSA-N 1 0 438.959 4.160 20 0 IIADRO FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907115 721694711 /nfs/dbraw/zinc/69/47/11/721694711.db2.gz SFLKNROZKOAYMU-HSZRJFAPSA-N 1 0 437.494 4.402 20 0 IIADRO FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908324 721695215 /nfs/dbraw/zinc/69/52/15/721695215.db2.gz YKCNMHCQAHPHDH-GOSISDBHSA-N 1 0 444.860 4.292 20 0 IIADRO Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904880 721695494 /nfs/dbraw/zinc/69/54/94/721695494.db2.gz HELFCQXWANIMQQ-QFIPXVFZSA-N 1 0 427.474 4.210 20 0 IIADRO FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907401 721697620 /nfs/dbraw/zinc/69/76/20/721697620.db2.gz SFZINZHKIXKKNV-LJQANCHMSA-N 1 0 435.931 4.477 20 0 IIADRO FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904865 721700844 /nfs/dbraw/zinc/70/08/44/721700844.db2.gz HCGMXDRBQDSDRH-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904222 721718529 /nfs/dbraw/zinc/71/85/29/721718529.db2.gz AUKRRWGSGCDWEZ-RUZDIDTESA-N 1 0 447.533 4.375 20 0 IIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(Cl)nc(Cl)c(Cl)c2Cl)CC1 ZINC001165010651 721733899 /nfs/dbraw/zinc/73/38/99/721733899.db2.gz IRLXPOKWIAVDRC-UHFFFAOYSA-N 1 0 440.202 4.218 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)s1 ZINC001165010874 721745850 /nfs/dbraw/zinc/74/58/50/721745850.db2.gz PYUPJURBWKFGFG-UHFFFAOYSA-N 1 0 449.624 4.190 20 0 IIADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001165014978 721766825 /nfs/dbraw/zinc/76/68/25/721766825.db2.gz KWTZATJJTKPUKT-UHFFFAOYSA-N 1 0 444.873 4.252 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]21 ZINC001165026974 721801198 /nfs/dbraw/zinc/80/11/98/721801198.db2.gz TUMWFCHZWPBZRX-UKPHBRMFSA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]21 ZINC001165026973 721801205 /nfs/dbraw/zinc/80/12/05/721801205.db2.gz TUMWFCHZWPBZRX-JLJPHGGASA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]21 ZINC001165024520 721801695 /nfs/dbraw/zinc/80/16/95/721801695.db2.gz LNRVCJQFWFHLTR-NUEKZKHPSA-N 1 0 442.341 4.460 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915937 721802942 /nfs/dbraw/zinc/80/29/42/721802942.db2.gz MOEQYZZQXVBCBY-NFBKMPQASA-N 1 0 442.558 4.161 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@@H]21 ZINC001165025066 721803951 /nfs/dbraw/zinc/80/39/51/721803951.db2.gz NKOMJZOERHCSIL-RIFZZMRRSA-N 1 0 430.021 4.051 20 0 IIADRO COc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c(Cl)nc2c1 ZINC001165026406 721809101 /nfs/dbraw/zinc/80/91/01/721809101.db2.gz PUHAORKUFRTNSS-NBCNXNJRSA-N 1 0 437.975 4.424 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165022666 721814796 /nfs/dbraw/zinc/81/47/96/721814796.db2.gz GLGAIHHDWIPAQI-XIRDDKMYSA-N 1 0 428.993 4.180 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165024226 721815653 /nfs/dbraw/zinc/81/56/53/721815653.db2.gz JZHZQLZFGWOAIM-RYQLBKOJSA-N 1 0 436.934 4.420 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@@H]21 ZINC001165024693 721822506 /nfs/dbraw/zinc/82/25/06/721822506.db2.gz KYVFEIOILWDAGD-FHLIZLRMSA-N 1 0 443.382 4.464 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]21 ZINC001165023239 721827978 /nfs/dbraw/zinc/82/79/78/721827978.db2.gz IIXZRWUDIUDSQF-GRYUFTJMSA-N 1 0 440.595 4.159 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@H]21 ZINC001165029493 721828165 /nfs/dbraw/zinc/82/81/65/721828165.db2.gz WXVRYIMJVWERCX-QFZRFWILSA-N 1 0 440.595 4.159 20 0 IIADRO COc1cc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c(OC)c1 ZINC001165027877 721830109 /nfs/dbraw/zinc/83/01/09/721830109.db2.gz UQFOSRGOPLTSOL-JKFKMHIGSA-N 1 0 432.568 4.384 20 0 IIADRO COc1cccc(-c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)c1 ZINC001165021273 721843297 /nfs/dbraw/zinc/84/32/97/721843297.db2.gz KHUIUUGLGPTHEZ-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927149 721855978 /nfs/dbraw/zinc/85/59/78/721855978.db2.gz JNZGMEMPSNQWST-FGZHOGPDSA-N 1 0 439.966 4.304 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934614 721878039 /nfs/dbraw/zinc/87/80/39/721878039.db2.gz SRCAIFHXKXMWBS-OALUTQOASA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164933978 721890501 /nfs/dbraw/zinc/89/05/01/721890501.db2.gz NTQBLZGAHCGWJJ-IRXDYDNUSA-N 1 0 426.964 4.223 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)CC3)C2)cc1 ZINC001164939921 721926994 /nfs/dbraw/zinc/92/69/94/721926994.db2.gz OXYYAKGBRYWOLV-UHFFFAOYSA-N 1 0 436.934 4.042 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1C ZINC001164940704 721927868 /nfs/dbraw/zinc/92/78/68/721927868.db2.gz XVTJATZEDJVGCY-UHFFFAOYSA-N 1 0 437.584 4.055 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(C)nc(C5CC5)nc4Cl)CC3)C2)cc1 ZINC001164940226 721931869 /nfs/dbraw/zinc/93/18/69/721931869.db2.gz SQDTYJUXOATSCT-UHFFFAOYSA-N 1 0 426.992 4.496 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccnc4Oc4ccccc4)CC3)C2)cc1 ZINC001164938605 721932416 /nfs/dbraw/zinc/93/24/16/721932416.db2.gz ALVNROMCFNFHJX-UHFFFAOYSA-N 1 0 430.552 4.449 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164949894 721968103 /nfs/dbraw/zinc/96/81/03/721968103.db2.gz ZGSMRXCGKMNFNP-RGSZASNESA-N 1 0 432.612 4.397 20 0 IIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955541 722013049 /nfs/dbraw/zinc/01/30/49/722013049.db2.gz WHLYMIMNEUZAIA-UHFFFAOYSA-N 1 0 428.314 4.216 20 0 IIADRO Fc1cc2nc(Cl)c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2cc1F ZINC001164952993 722016393 /nfs/dbraw/zinc/01/63/93/722016393.db2.gz QKTMKHMBBRJDOD-UHFFFAOYSA-N 1 0 429.902 4.449 20 0 IIADRO Cc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c(Cl)nc2c1 ZINC001164963828 722055231 /nfs/dbraw/zinc/05/52/31/722055231.db2.gz MTKSGPIRIZKWST-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966895 722061736 /nfs/dbraw/zinc/06/17/36/722061736.db2.gz YRVFWRPWTYRMNU-UHFFFAOYSA-N 1 0 444.023 4.151 20 0 IIADRO Clc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980729 722099816 /nfs/dbraw/zinc/09/98/16/722099816.db2.gz KAPJTMXTYGNODG-UZLBHIALSA-N 1 0 444.366 4.059 20 0 IIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984707 722103074 /nfs/dbraw/zinc/10/30/74/722103074.db2.gz UCKWAKQNWWQVLY-MAUKXSAKSA-N 1 0 443.325 4.056 20 0 IIADRO CC(C)(C)c1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975537 722107411 /nfs/dbraw/zinc/10/74/11/722107411.db2.gz CHZBJQCYCLTIDP-AZUAARDMSA-N 1 0 437.613 4.111 20 0 IIADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976370 722116358 /nfs/dbraw/zinc/11/63/58/722116358.db2.gz LMCAVLOAYCXJFY-JXFKEZNVSA-N 1 0 444.366 4.059 20 0 IIADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982183 722116549 /nfs/dbraw/zinc/11/65/49/722116549.db2.gz WGMLMMVYAUBXFU-DOTOQJQBSA-N 1 0 443.325 4.056 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982589 722146416 /nfs/dbraw/zinc/14/64/16/722146416.db2.gz RRJCHVONZCLQQR-NOZRDPDXSA-N 1 0 446.620 4.496 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972232 722153402 /nfs/dbraw/zinc/15/34/02/722153402.db2.gz HKYFBYDGARBSAI-VDGAXYAQSA-N 1 0 429.996 4.074 20 0 IIADRO O=C(NCC1CC1)C1=CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164997877 722220910 /nfs/dbraw/zinc/22/09/10/722220910.db2.gz DSPUSPZUQHVNDI-UHFFFAOYSA-N 1 0 442.607 4.139 20 0 IIADRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164998657 722221726 /nfs/dbraw/zinc/22/17/26/722221726.db2.gz LFSMGRQCQIQCAX-RUZDIDTESA-N 1 0 430.596 4.258 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)CCC2 ZINC001165002854 722255159 /nfs/dbraw/zinc/25/51/59/722255159.db2.gz UMSIYNGFXVSQPJ-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000532068158 1126096657 /nfs/dbraw/zinc/09/66/57/1126096657.db2.gz XFSARYDAORMUIN-AWEZNQCLSA-N 1 0 438.163 4.386 20 0 IIADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000466903319 1126093945 /nfs/dbraw/zinc/09/39/45/1126093945.db2.gz SAAXXMQXVBYSEV-QFIPXVFZSA-N 1 0 441.369 4.425 20 0 IIADRO O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997670 1126095532 /nfs/dbraw/zinc/09/55/32/1126095532.db2.gz VKMWPPVLIZPIBB-OALUTQOASA-N 1 0 425.401 4.218 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000604766750 1126100437 /nfs/dbraw/zinc/10/04/37/1126100437.db2.gz PHRYBHORYPPKGF-KRWDZBQOSA-N 1 0 425.330 4.014 20 0 IIADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078197 1126106934 /nfs/dbraw/zinc/10/69/34/1126106934.db2.gz CGHYFBVMPQHEEQ-HKUYNNGSSA-N 1 0 433.371 4.147 20 0 IIADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cn1 ZINC000756118028 1126106974 /nfs/dbraw/zinc/10/69/74/1126106974.db2.gz JXWVUKDOQDCFSR-WMZOPIPTSA-N 1 0 425.451 4.053 20 0 IIADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078199 1126107059 /nfs/dbraw/zinc/10/70/59/1126107059.db2.gz CGHYFBVMPQHEEQ-MJGOQNOKSA-N 1 0 433.371 4.147 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001175706468 1126149194 /nfs/dbraw/zinc/14/91/94/1126149194.db2.gz FVVZZXKUFJRVPV-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC001179521008 1126152601 /nfs/dbraw/zinc/15/26/01/1126152601.db2.gz UKCQKRXYRJGLAI-SANMLTNESA-N 1 0 431.536 4.126 20 0 IIADRO CCCOc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC ZINC001203119065 1126157541 /nfs/dbraw/zinc/15/75/41/1126157541.db2.gz OLNJDRZFFMJNBZ-JOCHJYFZSA-N 1 0 434.374 4.256 20 0 IIADRO OC[C@@]1([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001307928650 1126162088 /nfs/dbraw/zinc/16/20/88/1126162088.db2.gz OISLKEFLWOWAQC-LJQANCHMSA-N 1 0 444.291 4.400 20 0 IIADRO OC[C@]1([NH2+]Cc2cnc(CC(F)(F)F)s2)CCc2cc(Br)ccc2C1 ZINC001308465073 1126166027 /nfs/dbraw/zinc/16/60/27/1126166027.db2.gz UURMOBBYSXHLHZ-INIZCTEOSA-N 1 0 435.309 4.020 20 0 IIADRO CCc1cc2oc(=O)cc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)c2cc1Cl ZINC001460868606 1126193129 /nfs/dbraw/zinc/19/31/29/1126193129.db2.gz MQJHKAHAEPQVPE-DEOSSOPVSA-N 1 0 445.943 4.109 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998122 1126201237 /nfs/dbraw/zinc/20/12/37/1126201237.db2.gz BHDKYNNWDOYWTF-CRAIPNDOSA-N 1 0 437.380 4.260 20 0 IIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001620419358 1126240274 /nfs/dbraw/zinc/24/02/74/1126240274.db2.gz VZEXFQMDZPBIRZ-HSZRJFAPSA-N 1 0 446.385 4.414 20 0 IIADRO OC[C@]1([NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001620419431 1126240414 /nfs/dbraw/zinc/24/04/14/1126240414.db2.gz XKLNDFMTYUVTJF-NRFANRHFSA-N 1 0 449.295 4.392 20 0 IIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@](C)(CO)Cc3ccccc3OC)c2)cc1 ZINC001621022097 1126244392 /nfs/dbraw/zinc/24/43/92/1126244392.db2.gz JMMMVJLSUXAUIM-SANMLTNESA-N 1 0 434.536 4.039 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccnc3c(Br)cccc23)cc1OC ZINC001621057829 1126245707 /nfs/dbraw/zinc/24/57/07/1126245707.db2.gz USJKFXDTOQXOEP-JOCHJYFZSA-N 1 0 445.357 4.098 20 0 IIADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387315 718802195 /nfs/dbraw/zinc/80/21/95/718802195.db2.gz MJRCXFJHPAPUKE-INIZCTEOSA-N 1 0 425.646 4.120 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164388258 718815395 /nfs/dbraw/zinc/81/53/95/718815395.db2.gz NZNAAHPQIQAFMC-ROUUACIJSA-N 1 0 444.860 4.435 20 0 IIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164406495 718865910 /nfs/dbraw/zinc/86/59/10/718865910.db2.gz HDPAZYRALMLUKI-PXNSSMCTSA-N 1 0 436.934 4.280 20 0 IIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409301 718865932 /nfs/dbraw/zinc/86/59/32/718865932.db2.gz PFHTUQREKXOWPO-RDTXWAMCSA-N 1 0 428.310 4.415 20 0 IIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164413986 718880841 /nfs/dbraw/zinc/88/08/41/718880841.db2.gz PHSPKIYMRMJHKZ-CQSZACIVSA-N 1 0 436.812 4.361 20 0 IIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164423748 718946680 /nfs/dbraw/zinc/94/66/80/718946680.db2.gz KFLXGIHUOPUTFE-IRLDBZIGSA-N 1 0 441.604 4.496 20 0 IIADRO Cc1ncc2n1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164440698 718990549 /nfs/dbraw/zinc/99/05/49/718990549.db2.gz QPVWSJZHAFZDQA-UHFFFAOYSA-N 1 0 449.986 4.282 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164617767 719007204 /nfs/dbraw/zinc/00/72/04/719007204.db2.gz PDQQULGQZBEXTE-AUUYWEPGSA-N 1 0 448.341 4.083 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626534 719075953 /nfs/dbraw/zinc/07/59/53/719075953.db2.gz OGIGJODYUYCGGE-LPHOPBHVSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccc2c1OC ZINC001164628791 719105000 /nfs/dbraw/zinc/10/50/00/719105000.db2.gz OGCQOBRHTYKCPP-SIKLNZKXSA-N 1 0 431.536 4.131 20 0 IIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623324 719114781 /nfs/dbraw/zinc/11/47/81/719114781.db2.gz CMJJMTRBORUMOV-HOTGVXAUSA-N 1 0 449.958 4.471 20 0 IIADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164671639 719445745 /nfs/dbraw/zinc/44/57/45/719445745.db2.gz QNIYPCANORLKCE-SJORKVTESA-N 1 0 446.523 4.096 20 0 IIADRO CC(C)N(C)Cc1nn(-c2ccc3cc(OCc4ccccc4)ccc3n2)c2c1CC[NH2+]C2 ZINC001164682007 719627724 /nfs/dbraw/zinc/62/77/24/719627724.db2.gz KVOQZDRHQXQNKD-UHFFFAOYSA-N 1 0 441.579 4.485 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)c2c1CC[NH2+]C2 ZINC001164679507 719641495 /nfs/dbraw/zinc/64/14/95/719641495.db2.gz DGUCSWYZMJQJQV-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccccc43)CC2)c2ccccc21 ZINC001164681452 719659539 /nfs/dbraw/zinc/65/95/39/719659539.db2.gz PMQNGXIIKGENOX-JOCHJYFZSA-N 1 0 442.607 4.328 20 0 IIADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693481 719803895 /nfs/dbraw/zinc/80/38/95/719803895.db2.gz UCNVYIXFUXIQMR-FPLPWBNLSA-N 1 0 426.586 4.058 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2CSCC4)CC3)cs1 ZINC001164691845 719805449 /nfs/dbraw/zinc/80/54/49/719805449.db2.gz KVBSROBVFFGCOQ-UHFFFAOYSA-N 1 0 436.050 4.319 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cc1OCC ZINC001164691900 719808365 /nfs/dbraw/zinc/80/83/65/719808365.db2.gz AIDGYTAQOCHKNX-UHFFFAOYSA-N 1 0 444.601 4.057 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164705822 719836773 /nfs/dbraw/zinc/83/67/73/719836773.db2.gz VVVLDPAVJUDKJH-QHCPKHFHSA-N 1 0 434.584 4.031 20 0 IIADRO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698448 719897009 /nfs/dbraw/zinc/89/70/09/719897009.db2.gz TUAPVMTXZNQGHX-UHFFFAOYSA-N 1 0 425.602 4.188 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815799 720077171 /nfs/dbraw/zinc/07/71/71/720077171.db2.gz ZRDXBNPJBUBBCN-IIBYNOLFSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164710061 720105870 /nfs/dbraw/zinc/10/58/70/720105870.db2.gz GMDAGVANLCRSSQ-JOCHJYFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164716933 720111916 /nfs/dbraw/zinc/11/19/16/720111916.db2.gz LRJIHSGXJXXFAC-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164719565 720115333 /nfs/dbraw/zinc/11/53/33/720115333.db2.gz ZBUPJEJKXAGMBQ-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164717425 720124530 /nfs/dbraw/zinc/12/45/30/720124530.db2.gz OTSOADYENRFGHB-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817395 720156525 /nfs/dbraw/zinc/15/65/25/720156525.db2.gz PFSVUSVUNLVYHB-HNAYVOBHSA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812401 720170201 /nfs/dbraw/zinc/17/02/01/720170201.db2.gz AKCPOEODLURVAD-CLOONOSVSA-N 1 0 440.657 4.453 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812381 720191594 /nfs/dbraw/zinc/19/15/94/720191594.db2.gz ACLCCZNQTJWDPS-IVZQSRNASA-N 1 0 436.934 4.406 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164829133 720350927 /nfs/dbraw/zinc/35/09/27/720350927.db2.gz QQLCBGMAPBGVBU-WOJBJXKFSA-N 1 0 426.992 4.108 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725753 720427678 /nfs/dbraw/zinc/42/76/78/720427678.db2.gz AXMTXOXXAFRHLU-DNQXCXABSA-N 1 0 428.536 4.092 20 0 IIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728525 720441611 /nfs/dbraw/zinc/44/16/11/720441611.db2.gz FOCUXYODZFIUSB-YADHBBJMSA-N 1 0 433.943 4.236 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730283 720458720 /nfs/dbraw/zinc/45/87/20/720458720.db2.gz JEJPNSSYUMXGSJ-XPNTWCBSSA-N 1 0 439.922 4.173 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]21 ZINC001164838472 720544789 /nfs/dbraw/zinc/54/47/89/720544789.db2.gz OAQZBJUYPKVHFG-BXWFABGCSA-N 1 0 448.949 4.336 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]21 ZINC001164835820 720546197 /nfs/dbraw/zinc/54/61/97/720546197.db2.gz HYXRTFLQVNMNPO-DXIQSLLYSA-N 1 0 436.991 4.371 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836192 720587792 /nfs/dbraw/zinc/58/77/92/720587792.db2.gz FDPDADFQZXZBMR-WOIUINJBSA-N 1 0 432.012 4.488 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836194 720588755 /nfs/dbraw/zinc/58/87/55/720588755.db2.gz FDPDADFQZXZBMR-XQBPLPMBSA-N 1 0 432.012 4.488 20 0 IIADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843604 720601217 /nfs/dbraw/zinc/60/12/17/720601217.db2.gz YPDQDNFPPWPKPB-CEXWTWQISA-N 1 0 431.028 4.310 20 0 IIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164842886 720601309 /nfs/dbraw/zinc/60/13/09/720601309.db2.gz WFEMKFJFGZFAJY-QWFCFKBJSA-N 1 0 436.629 4.063 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837615 720646093 /nfs/dbraw/zinc/64/60/93/720646093.db2.gz DKMJPEMJEIZQCE-IXDOHACOSA-N 1 0 435.403 4.235 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841080 720646683 /nfs/dbraw/zinc/64/66/83/720646683.db2.gz PDJCALFVBGSOHN-YZGWKJHDSA-N 1 0 449.977 4.429 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841785 720647650 /nfs/dbraw/zinc/64/76/50/720647650.db2.gz QAJDZAQNMFTDKY-YSIASYRMSA-N 1 0 449.977 4.429 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164838297 720673890 /nfs/dbraw/zinc/67/38/90/720673890.db2.gz HBGUBOSBRXGVGI-GOSISDBHSA-N 1 0 437.918 4.420 20 0 IIADRO COC(=O)c1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc2c1 ZINC001164840502 720686140 /nfs/dbraw/zinc/68/61/40/720686140.db2.gz FRJKGSIWTUOCSF-HSZRJFAPSA-N 1 0 445.563 4.281 20 0 IIADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164841693 720709473 /nfs/dbraw/zinc/70/94/73/720709473.db2.gz VYLBGXIXHVSNKV-GOSISDBHSA-N 1 0 428.964 4.042 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164838399 720722435 /nfs/dbraw/zinc/72/24/35/720722435.db2.gz JAWZNKWKPMCFDP-JOCHJYFZSA-N 1 0 445.567 4.269 20 0 IIADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836599 720737352 /nfs/dbraw/zinc/73/73/52/720737352.db2.gz FEFPHOHREPBYHK-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164845136 720780027 /nfs/dbraw/zinc/78/00/27/720780027.db2.gz FCYUATAEMUHGEE-LIONHTAISA-N 1 0 436.600 4.367 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744583 720819258 /nfs/dbraw/zinc/81/92/58/720819258.db2.gz VHVYFIUQBQAZKH-OFQRWUPVSA-N 1 0 441.794 4.013 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744577 720819347 /nfs/dbraw/zinc/81/93/47/720819347.db2.gz VHVYFIUQBQAZKH-IIAWOOMASA-N 1 0 441.794 4.013 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740040 720837221 /nfs/dbraw/zinc/83/72/21/720837221.db2.gz BQUGPJAVBTZRCF-KKLQWCBXSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740039 720837405 /nfs/dbraw/zinc/83/74/05/720837405.db2.gz BQUGPJAVBTZRCF-JXHRLWIKSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745219 720838120 /nfs/dbraw/zinc/83/81/20/720838120.db2.gz MWTWPNBYLVJTPM-TUNNFDKTSA-N 1 0 436.991 4.168 20 0 IIADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164747957 720870242 /nfs/dbraw/zinc/87/02/42/720870242.db2.gz CWGWCFXHQHUWDR-SHQCIBLASA-N 1 0 428.580 4.385 20 0 IIADRO Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751679 720871671 /nfs/dbraw/zinc/87/16/71/720871671.db2.gz LWPDTEICPXOIBZ-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754365 720892415 /nfs/dbraw/zinc/89/24/15/720892415.db2.gz IOMLDCVJKBGWNU-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO CSc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164747184 720906330 /nfs/dbraw/zinc/90/63/30/720906330.db2.gz BZALKGXSNDVNCY-RDGATRHJSA-N 1 0 438.641 4.262 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164862361 720968532 /nfs/dbraw/zinc/96/85/32/720968532.db2.gz RZAUHJUBVNTEOO-IBGZPJMESA-N 1 0 429.572 4.098 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@@H]2C ZINC001164863508 720975512 /nfs/dbraw/zinc/97/55/12/720975512.db2.gz VVPRCEXVEWLRMY-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@H]2C ZINC001164858865 721005305 /nfs/dbraw/zinc/00/53/05/721005305.db2.gz IPRUQOIZPPTLCO-INIZCTEOSA-N 1 0 433.585 4.371 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763812 721031976 /nfs/dbraw/zinc/03/19/76/721031976.db2.gz LJSUZCCUTWFHMZ-DGWZTRNLSA-N 1 0 436.600 4.368 20 0 IIADRO COC(=O)c1cnc(Cl)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164767606 721041855 /nfs/dbraw/zinc/04/18/55/721041855.db2.gz SDPKJZKLPJAVKY-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164758676 721046964 /nfs/dbraw/zinc/04/69/64/721046964.db2.gz AIZYXZBHEWOWQU-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO c1sc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164866060 721066378 /nfs/dbraw/zinc/06/63/78/721066378.db2.gz CEROQXOHUVYVKC-SFTDATJTSA-N 1 0 443.576 4.233 20 0 IIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867423 721106091 /nfs/dbraw/zinc/10/60/91/721106091.db2.gz YJRGNHQIXDXGND-RTBURBONSA-N 1 0 444.913 4.308 20 0 IIADRO Cc1sc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773832 721202236 /nfs/dbraw/zinc/20/22/36/721202236.db2.gz XIZFXZHFJTZHSQ-RTWAWAEBSA-N 1 0 444.608 4.359 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3C)C2)C1 ZINC001164786116 721363185 /nfs/dbraw/zinc/36/31/85/721363185.db2.gz WGIREJZHKTXSHH-OAQYLSRUSA-N 1 0 439.387 4.421 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885106 721409725 /nfs/dbraw/zinc/40/97/25/721409725.db2.gz FMQLEXCWTQUMPY-SQJMNOBHSA-N 1 0 441.019 4.167 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@]23CN(c2ncccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164784483 721445477 /nfs/dbraw/zinc/44/54/77/721445477.db2.gz QGSPQOKJJBDMPE-QPPBQGQZSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164785046 721455591 /nfs/dbraw/zinc/45/55/91/721455591.db2.gz GDFZARATOFTKQC-FQEVSTJZSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164789956 721459048 /nfs/dbraw/zinc/45/90/48/721459048.db2.gz YPTOLPQSIREEQJ-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164791753 721467888 /nfs/dbraw/zinc/46/78/88/721467888.db2.gz YLMJWEZIGFQIIK-FQEVSTJZSA-N 1 0 449.039 4.050 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793352 721488156 /nfs/dbraw/zinc/48/81/56/721488156.db2.gz QRBSOWVBNANLDQ-HOKHCIIBSA-N 1 0 440.563 4.085 20 0 IIADRO COC(=O)c1ccc2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164792312 721493900 /nfs/dbraw/zinc/49/39/00/721493900.db2.gz OBQAEFZUIFJBSJ-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO CCOC(=O)c1cc2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH]c-2n1 ZINC001164796799 721498130 /nfs/dbraw/zinc/49/81/30/721498130.db2.gz YKVJHGOBGNZNCP-UHFFFAOYSA-N 1 0 433.556 4.016 20 0 IIADRO COc1ccc(-c2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncn2)cc1 ZINC001164796946 721500541 /nfs/dbraw/zinc/50/05/41/721500541.db2.gz ZVDNWUHSSFILQB-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795493 721501014 /nfs/dbraw/zinc/50/10/14/721501014.db2.gz JDQNMLAOHVTWJS-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906566 721554756 /nfs/dbraw/zinc/55/47/56/721554756.db2.gz KCKUPUHNTLCLOM-FPOVZHCZSA-N 1 0 445.498 4.074 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164800803 721555249 /nfs/dbraw/zinc/55/52/49/721555249.db2.gz FPCXZCURSHUXBS-ZYKOEDHHSA-N 1 0 435.959 4.060 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911875 721557051 /nfs/dbraw/zinc/55/70/51/721557051.db2.gz ZSBQVZRZIJGPES-NVXWUHKLSA-N 1 0 448.876 4.309 20 0 IIADRO FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903418 721583860 /nfs/dbraw/zinc/58/38/60/721583860.db2.gz NEOXTPZPMWKXSK-SFHVURJKSA-N 1 0 428.861 4.413 20 0 IIADRO FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908509 721694083 /nfs/dbraw/zinc/69/40/83/721694083.db2.gz ZRTGPTYZIMABNK-GOSISDBHSA-N 1 0 444.860 4.292 20 0 IIADRO Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904876 721696061 /nfs/dbraw/zinc/69/60/61/721696061.db2.gz HELFCQXWANIMQQ-JOCHJYFZSA-N 1 0 427.474 4.210 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]21 ZINC001165027269 721799838 /nfs/dbraw/zinc/79/98/38/721799838.db2.gz VCUZNPFFBSPSOS-JLJPHGGASA-N 1 0 431.371 4.397 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]21 ZINC001165023389 721803814 /nfs/dbraw/zinc/80/38/14/721803814.db2.gz JSKNBONLKNFBAS-YUXAGFNASA-N 1 0 434.975 4.324 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001165025398 721808248 /nfs/dbraw/zinc/80/82/48/721808248.db2.gz NXXTULQXWLMTSR-HMXCVIKNSA-N 1 0 434.975 4.324 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]21 ZINC001165020686 721813126 /nfs/dbraw/zinc/81/31/26/721813126.db2.gz CLWBFOWWBOVMDU-IEZKXTBUSA-N 1 0 441.579 4.466 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021668 721815566 /nfs/dbraw/zinc/81/55/66/721815566.db2.gz FXBCECOXXZQING-IOMROCGXSA-N 1 0 442.991 4.352 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165026084 721820159 /nfs/dbraw/zinc/82/01/59/721820159.db2.gz PDHHJUMFLSBCBT-CVJWPJSTSA-N 1 0 442.611 4.342 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165026090 721820202 /nfs/dbraw/zinc/82/02/02/721820202.db2.gz PDHHJUMFLSBCBT-PMWMKWCKSA-N 1 0 442.611 4.342 20 0 IIADRO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027059 721822245 /nfs/dbraw/zinc/82/22/45/721822245.db2.gz RLRAZSKXMBOAFM-NKKJXINNSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001165024431 721825827 /nfs/dbraw/zinc/82/58/27/721825827.db2.gz JVQAVYVCBJFCPQ-QGPMSJSTSA-N 1 0 446.933 4.288 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165029660 721827387 /nfs/dbraw/zinc/82/73/87/721827387.db2.gz XKSOSDHJEIJEFG-QPTUXGOLSA-N 1 0 428.584 4.287 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@@H]21 ZINC001165029486 721827916 /nfs/dbraw/zinc/82/79/16/721827916.db2.gz WXVRYIMJVWERCX-JHMXWDHMSA-N 1 0 440.595 4.159 20 0 IIADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026738 721828912 /nfs/dbraw/zinc/82/89/12/721828912.db2.gz PWXVUKALVNRXNL-ZKMPZPQNSA-N 1 0 443.595 4.496 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1 ZINC001164925023 721840699 /nfs/dbraw/zinc/84/06/99/721840699.db2.gz ZRJFQFREFKBCOO-NOOIUNMQSA-N 1 0 436.600 4.083 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2Oc2ccccc2)CC1 ZINC001165031143 721844777 /nfs/dbraw/zinc/84/47/77/721844777.db2.gz VBKSXCVZWSLDGP-UHFFFAOYSA-N 1 0 434.540 4.387 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931234 721856088 /nfs/dbraw/zinc/85/60/88/721856088.db2.gz UJSRPRKFZBQDGA-VXKWHMMOSA-N 1 0 439.966 4.304 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934616 721878007 /nfs/dbraw/zinc/87/80/07/721878007.db2.gz SRCAIFHXKXMWBS-RTBURBONSA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164935132 721886914 /nfs/dbraw/zinc/88/69/14/721886914.db2.gz WMBUSMXMFOVAJX-RTBURBONSA-N 1 0 436.934 4.041 20 0 IIADRO O=C(C1=CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21)N1CCCC1 ZINC001164928794 721899631 /nfs/dbraw/zinc/89/96/31/721899631.db2.gz PHTDTVYWMUQEHK-UHFFFAOYSA-N 1 0 442.607 4.235 20 0 IIADRO C[N@H+](Cc1ccc(N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc1)C1CC1 ZINC001164929817 721899677 /nfs/dbraw/zinc/89/96/77/721899677.db2.gz XCCSJPNFKWQJNZ-UHFFFAOYSA-N 1 0 442.607 4.233 20 0 IIADRO c1cn(Cc2ccccc2)c2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953771 722018697 /nfs/dbraw/zinc/01/86/97/722018697.db2.gz ZDDMAOAZDKGYFU-UHFFFAOYSA-N 1 0 438.579 4.367 20 0 IIADRO Clc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(-c2ccccc2)n1 ZINC001164962407 722060188 /nfs/dbraw/zinc/06/01/88/722060188.db2.gz RQMFMUJNUVHVLZ-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO CC(C)c1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(C(C)(C)C)n1 ZINC001164961630 722060837 /nfs/dbraw/zinc/06/08/37/722060837.db2.gz NFKOLCOMVFZDRY-UHFFFAOYSA-N 1 0 437.632 4.412 20 0 IIADRO Clc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)c23)cc1 ZINC001164967496 722075283 /nfs/dbraw/zinc/07/52/83/722075283.db2.gz RXTYYLUFGUCQDO-HDICACEKSA-N 1 0 426.973 4.311 20 0 IIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984739 722099389 /nfs/dbraw/zinc/09/93/89/722099389.db2.gz UHTQXVFDDFEHOJ-LAUBAEHRSA-N 1 0 426.923 4.150 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981567 722099688 /nfs/dbraw/zinc/09/96/88/722099688.db2.gz LSSRHDXTSINODO-GCJKJVERSA-N 1 0 438.959 4.019 20 0 IIADRO Clc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980727 722099931 /nfs/dbraw/zinc/09/99/31/722099931.db2.gz KAPJTMXTYGNODG-OXQOHEQNSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971903 722114182 /nfs/dbraw/zinc/11/41/82/722114182.db2.gz DEMCDGIIXQGJGJ-LPHOPBHVSA-N 1 0 444.366 4.059 20 0 IIADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982186 722116687 /nfs/dbraw/zinc/11/66/87/722116687.db2.gz WGMLMMVYAUBXFU-NVXWUHKLSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979594 722150030 /nfs/dbraw/zinc/15/00/30/722150030.db2.gz LKSHWVQVKWUBKZ-UZLBHIALSA-N 1 0 444.366 4.059 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@@H]3COCC)CC2)nc1 ZINC001164991139 722187727 /nfs/dbraw/zinc/18/77/27/722187727.db2.gz NXRHFMXZGIYWRQ-XZOQPEGZSA-N 1 0 442.648 4.120 20 0 IIADRO O=C(NCC1CC1)C1=CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21 ZINC001164999436 722220867 /nfs/dbraw/zinc/22/08/67/722220867.db2.gz QZYVNQSQUVLBDF-UHFFFAOYSA-N 1 0 442.607 4.139 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004121 722257898 /nfs/dbraw/zinc/25/78/98/722257898.db2.gz NEMJPRWACZSYNZ-UHFFFAOYSA-N 1 0 449.933 4.160 20 0 IIADRO COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc(Br)c1OC(F)F ZINC000466899079 1126093703 /nfs/dbraw/zinc/09/37/03/1126093703.db2.gz GJNIOWBSZVEGIC-OAHLLOKOSA-N 1 0 430.289 4.061 20 0 IIADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC(F)F ZINC001179146746 1126151495 /nfs/dbraw/zinc/15/14/95/1126151495.db2.gz CIAHIYVJRPGHNR-HXUWFJFHSA-N 1 0 442.300 4.069 20 0 IIADRO Cc1nc(-c2ccccc2)oc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001196105353 1126153587 /nfs/dbraw/zinc/15/35/87/1126153587.db2.gz VFXXIBHYLUAYQT-JOCHJYFZSA-N 1 0 427.342 4.422 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)cc2Cl)cc1OC ZINC001198228332 1126155554 /nfs/dbraw/zinc/15/55/54/1126155554.db2.gz DWVGZTNKPAEXHT-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(C(F)(F)F)c1 ZINC001203119193 1126157543 /nfs/dbraw/zinc/15/75/43/1126157543.db2.gz PKOUSLVGDNAHGF-LJQANCHMSA-N 1 0 444.291 4.486 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cc1 ZINC001203581186 1126158789 /nfs/dbraw/zinc/15/87/89/1126158789.db2.gz JOFMFUCEIDSCMS-GOSISDBHSA-N 1 0 448.279 4.440 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)cc1 ZINC001203581226 1126158860 /nfs/dbraw/zinc/15/88/60/1126158860.db2.gz JXTDDLNNTGGIOY-JOCHJYFZSA-N 1 0 444.373 4.035 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(Br)c2OC(F)F)cc1 ZINC001198219825 1126155024 /nfs/dbraw/zinc/15/50/24/1126155024.db2.gz SRDXGUDOARHSGU-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO CN(C)C(=O)Sc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001308117860 1126163545 /nfs/dbraw/zinc/16/35/45/1126163545.db2.gz NTYOZYTVRCOTTB-FQEVSTJZSA-N 1 0 437.403 4.306 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263545 1126164621 /nfs/dbraw/zinc/16/46/21/1126164621.db2.gz DUWLEIBQHMQLHY-LAUBAEHRSA-N 1 0 425.447 4.025 20 0 IIADRO OC[C@]1([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)CCc2cc(Br)ccc2C1 ZINC001460422089 1126191137 /nfs/dbraw/zinc/19/11/37/1126191137.db2.gz JMHHXEAXPOXERJ-FQEVSTJZSA-N 1 0 448.748 4.162 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1OC ZINC001473840113 1126200338 /nfs/dbraw/zinc/20/03/38/1126200338.db2.gz QSHPDKSVMDDRHO-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001461706188 1126196487 /nfs/dbraw/zinc/19/64/87/1126196487.db2.gz KYZMLCYGICMLPK-FQEVSTJZSA-N 1 0 434.765 4.372 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998738 1126201158 /nfs/dbraw/zinc/20/11/58/1126201158.db2.gz KJKSUUIVWUDGDV-NZQKXSOJSA-N 1 0 446.469 4.293 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001474227263 1126203449 /nfs/dbraw/zinc/20/34/49/1126203449.db2.gz RRLVRRVXSFQPOM-QFIPXVFZSA-N 1 0 433.474 4.042 20 0 IIADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC001560182435 1126208598 /nfs/dbraw/zinc/20/85/98/1126208598.db2.gz DQBAOHRKMHEMHC-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO OC[C@]1([NH2+]Cc2cccc(Br)c2F)CCc2cc(Br)ccc2C1 ZINC001560532383 1126211836 /nfs/dbraw/zinc/21/18/36/1126211836.db2.gz ISMFCXSEBLOHLE-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001560548473 1126212605 /nfs/dbraw/zinc/21/26/05/1126212605.db2.gz PQDBRODPJAANEL-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(OC(F)F)ccc2Br)cc1 ZINC001560579829 1126213229 /nfs/dbraw/zinc/21/32/29/1126213229.db2.gz BHQGVPRJCOMGNN-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC001620624360 1126241679 /nfs/dbraw/zinc/24/16/79/1126241679.db2.gz VKKSYWDJTFUDNV-HXUWFJFHSA-N 1 0 437.284 4.466 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC001621023000 1126245177 /nfs/dbraw/zinc/24/51/77/1126245177.db2.gz SHKALGGWOJZMGX-LJQANCHMSA-N 1 0 448.279 4.282 20 0 IIADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021992 1126244302 /nfs/dbraw/zinc/24/43/02/1126244302.db2.gz FNCAQLUMOJWXCE-CLOONOSVSA-N 1 0 446.563 4.060 20 0 IIADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(Cl)cc4)cc(c32)C1=O ZINC000028712246 563062900 /nfs/dbraw/zinc/06/29/00/563062900.db2.gz BDKGJWOUPHUASR-UHFFFAOYSA-N 1 0 436.899 4.295 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423148 718945660 /nfs/dbraw/zinc/94/56/60/718945660.db2.gz FQCSRAIHGKWLRR-SFTDATJTSA-N 1 0 445.636 4.242 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164617770 719007058 /nfs/dbraw/zinc/00/70/58/719007058.db2.gz PDQQULGQZBEXTE-LIRRHRJNSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164617390 719007681 /nfs/dbraw/zinc/00/76/81/719007681.db2.gz NVLKDXIRDHDBLC-BEFAXECRSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ccnc(Cl)c4)ccn3)CC2)CC1 ZINC001164614721 719023581 /nfs/dbraw/zinc/02/35/81/719023581.db2.gz XJLVVKGHBDWBMV-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(C(C)(C)C)sc43)CC2)CC1 ZINC001164613738 719024185 /nfs/dbraw/zinc/02/41/85/719024185.db2.gz BFTJZMUGSIJREJ-UHFFFAOYSA-N 1 0 430.618 4.233 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c(Cl)cccc43)CC2)CC1 ZINC001164614375 719025408 /nfs/dbraw/zinc/02/54/08/719025408.db2.gz RWCUUGSZJIXXIZ-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO c1ccc(CN2CCc3ncnc(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)c3C2)cc1 ZINC001164629085 719062143 /nfs/dbraw/zinc/06/21/43/719062143.db2.gz VLSJEFQZMJZSEL-IGKIAQTJSA-N 1 0 439.607 4.136 20 0 IIADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624935 719084762 /nfs/dbraw/zinc/08/47/62/719084762.db2.gz MAFZNTIUGURWFF-JTHBVZDNSA-N 1 0 442.542 4.115 20 0 IIADRO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1 ZINC001164627469 719102950 /nfs/dbraw/zinc/10/29/50/719102950.db2.gz KWDIGCNUYCOYAD-RDPSFJRHSA-N 1 0 430.552 4.262 20 0 IIADRO Cc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628788 719107419 /nfs/dbraw/zinc/10/74/19/719107419.db2.gz OFPUATUUPRARDF-XZOQPEGZSA-N 1 0 427.552 4.138 20 0 IIADRO Cc1sc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1-c1ccccc1 ZINC001164679767 719641782 /nfs/dbraw/zinc/64/17/82/719641782.db2.gz MONVWMUMCSIVQG-UHFFFAOYSA-N 1 0 432.597 4.338 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164679467 719645371 /nfs/dbraw/zinc/64/53/71/719645371.db2.gz BMPDULNOAAJKEZ-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691500 719805102 /nfs/dbraw/zinc/80/51/02/719805102.db2.gz IHDBAEYQQNFMJP-UHFFFAOYSA-N 1 0 435.597 4.456 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC3)cs1 ZINC001164694453 719808303 /nfs/dbraw/zinc/80/83/03/719808303.db2.gz YCJKTYKQDPAKRS-UHFFFAOYSA-N 1 0 428.602 4.437 20 0 IIADRO CSc1nc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164691682 719810997 /nfs/dbraw/zinc/81/09/97/719810997.db2.gz JSYOADXYLCENSX-UHFFFAOYSA-N 1 0 432.644 4.208 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691300 719811079 /nfs/dbraw/zinc/81/10/79/719811079.db2.gz FCOKAJITPPXJJO-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO Fc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164694711 719891411 /nfs/dbraw/zinc/89/14/11/719891411.db2.gz CUQSDUCVWKJXGU-UHFFFAOYSA-N 1 0 431.911 4.352 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)s1 ZINC001164707104 719903381 /nfs/dbraw/zinc/90/33/81/719903381.db2.gz NOLRZQMDVCAMJF-UHFFFAOYSA-N 1 0 441.626 4.150 20 0 IIADRO Fc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706476 719909183 /nfs/dbraw/zinc/90/91/83/719909183.db2.gz IRKSSNOKLHJEIJ-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164711677 720095143 /nfs/dbraw/zinc/09/51/43/720095143.db2.gz SKAVBBIXCBKWBP-GOSISDBHSA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164712944 720104897 /nfs/dbraw/zinc/10/48/97/720104897.db2.gz ZASBPLJEWVUREV-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164710062 720105639 /nfs/dbraw/zinc/10/56/39/720105639.db2.gz GMDAGVANLCRSSQ-QFIPXVFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164718553 720112357 /nfs/dbraw/zinc/11/23/57/720112357.db2.gz SBXJDFWXOSUAMZ-SFHVURJKSA-N 1 0 433.021 4.359 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164717347 720113713 /nfs/dbraw/zinc/11/37/13/720113713.db2.gz NMEKZYOLZRHOGN-NRFANRHFSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164716918 720123572 /nfs/dbraw/zinc/12/35/72/720123572.db2.gz LMAGBSYWFKBBDT-FQEVSTJZSA-N 1 0 442.567 4.014 20 0 IIADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716958 720123834 /nfs/dbraw/zinc/12/38/34/720123834.db2.gz MJOINFDHHGOIAJ-IBGZPJMESA-N 1 0 430.980 4.036 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164716391 720124802 /nfs/dbraw/zinc/12/48/02/720124802.db2.gz KUPSYPKSFKMCNT-NRFANRHFSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164711197 720136351 /nfs/dbraw/zinc/13/63/51/720136351.db2.gz FZJYKFBVXUKNTN-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164713580 720140471 /nfs/dbraw/zinc/14/04/71/720140471.db2.gz SGJFNGMGFYZVMB-LJQANCHMSA-N 1 0 449.624 4.083 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164713066 720148769 /nfs/dbraw/zinc/14/87/69/720148769.db2.gz PYGLDHGRPNYTNK-QFIPXVFZSA-N 1 0 449.624 4.416 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164712660 720153360 /nfs/dbraw/zinc/15/33/60/720153360.db2.gz NYPNWSCKAHNWNN-QFIPXVFZSA-N 1 0 431.584 4.149 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817392 720156508 /nfs/dbraw/zinc/15/65/08/720156508.db2.gz PFSVUSVUNLVYHB-BEFAXECRSA-N 1 0 431.980 4.187 20 0 IIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711909 720157820 /nfs/dbraw/zinc/15/78/20/720157820.db2.gz DNFMVLQFTUAYFY-FPOVZHCZSA-N 1 0 448.615 4.374 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001164820260 720166140 /nfs/dbraw/zinc/16/61/40/720166140.db2.gz ZWBFKWFDJRPTOE-SBQVMTCPSA-N 1 0 449.643 4.193 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818224 720181214 /nfs/dbraw/zinc/18/12/14/720181214.db2.gz SHXXLGYIFFXSOO-FDDCHVKYSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813477 720198160 /nfs/dbraw/zinc/19/81/60/720198160.db2.gz QAGVLRSPCZFWIY-HXOBKFHXSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810743 720206503 /nfs/dbraw/zinc/20/65/03/720206503.db2.gz CKWLYJVTUWDSIO-GAJHUEQPSA-N 1 0 433.955 4.221 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164816090 720243415 /nfs/dbraw/zinc/24/34/15/720243415.db2.gz GGVVEISXPGAPGQ-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728516 720442150 /nfs/dbraw/zinc/44/21/50/720442150.db2.gz FOCUXYODZFIUSB-FCHUYYIVSA-N 1 0 433.943 4.236 20 0 IIADRO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735676 720461518 /nfs/dbraw/zinc/46/15/18/720461518.db2.gz XLIZRUDWJISTLG-OALUTQOASA-N 1 0 430.537 4.108 20 0 IIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164722952 720475205 /nfs/dbraw/zinc/47/52/05/720475205.db2.gz BMXXUNKQVPTUSI-CLJLJLNGSA-N 1 0 437.547 4.457 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836085 720516009 /nfs/dbraw/zinc/51/60/09/720516009.db2.gz MHABQVMOFRYWBP-IEIRFRATSA-N 1 0 436.991 4.371 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164728840 720517778 /nfs/dbraw/zinc/51/77/78/720517778.db2.gz MAMLGMCRVCOAQV-MRXNPFEDSA-N 1 0 447.917 4.221 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C1 ZINC001164733582 720523559 /nfs/dbraw/zinc/52/35/59/720523559.db2.gz KYXLCBMGPOYXSF-QGZVFWFLSA-N 1 0 432.959 4.345 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1 ZINC001164732124 720529405 /nfs/dbraw/zinc/52/94/05/720529405.db2.gz CKHOYWKAFTZHRP-OAHLLOKOSA-N 1 0 449.908 4.481 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)C1 ZINC001164734629 720530647 /nfs/dbraw/zinc/53/06/47/720530647.db2.gz RJBQUMHGLOLDBF-HXUWFJFHSA-N 1 0 440.551 4.330 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(Cl)nn2)c1 ZINC001164736525 720535418 /nfs/dbraw/zinc/53/54/18/720535418.db2.gz ZCESWWYOETXNLP-INIZCTEOSA-N 1 0 446.933 4.045 20 0 IIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164736572 720579394 /nfs/dbraw/zinc/57/93/94/720579394.db2.gz NQDHYLUAGCVFRO-UHFFFAOYSA-N 1 0 438.579 4.076 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC[C@@H]21 ZINC001164842204 720591512 /nfs/dbraw/zinc/59/15/12/720591512.db2.gz ULBZRDNBEJGNKJ-MMOPVJDHSA-N 1 0 449.990 4.339 20 0 IIADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164740204 720598353 /nfs/dbraw/zinc/59/83/53/720598353.db2.gz HSEZSEIFDSVMKI-UHFFFAOYSA-N 1 0 447.917 4.395 20 0 IIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164844186 720617029 /nfs/dbraw/zinc/61/70/29/720617029.db2.gz ZSHQOQFHGCBEDY-TZBSWOFLSA-N 1 0 430.600 4.335 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164840410 720707112 /nfs/dbraw/zinc/70/71/12/720707112.db2.gz QNUIHVAMVFVTAC-IBGZPJMESA-N 1 0 439.991 4.434 20 0 IIADRO COc1cccc(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840278 720713419 /nfs/dbraw/zinc/71/34/19/720713419.db2.gz OMNYZTXBXFGKII-HSZRJFAPSA-N 1 0 444.579 4.412 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164839837 720720853 /nfs/dbraw/zinc/72/08/53/720720853.db2.gz NQLQPEYXLRLLPC-XMMPIXPASA-N 1 0 443.595 4.415 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164838400 720722992 /nfs/dbraw/zinc/72/29/92/720722992.db2.gz JAWZNKWKPMCFDP-QFIPXVFZSA-N 1 0 445.567 4.269 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164746866 720831028 /nfs/dbraw/zinc/83/10/28/720831028.db2.gz ZIWLLXHXHDTNNO-IJEWVQPXSA-N 1 0 441.794 4.013 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745217 720838053 /nfs/dbraw/zinc/83/80/53/720838053.db2.gz MWTWPNBYLVJTPM-RZUBCFFCSA-N 1 0 436.991 4.168 20 0 IIADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164865280 720875121 /nfs/dbraw/zinc/87/51/21/720875121.db2.gz ZOGSAWJQRIRYNF-RDGATRHJSA-N 1 0 446.595 4.087 20 0 IIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164865279 720875173 /nfs/dbraw/zinc/87/51/73/720875173.db2.gz ZOGSAWJQRIRYNF-RCZVLFRGSA-N 1 0 446.595 4.087 20 0 IIADRO Cc1csc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754648 720905416 /nfs/dbraw/zinc/90/54/16/720905416.db2.gz WQMIOPQPLSFJCJ-SQJMNOBHSA-N 1 0 449.624 4.150 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@@H]2C ZINC001164857832 720964959 /nfs/dbraw/zinc/96/49/59/720964959.db2.gz HLRCJMJVYNOTOL-QGZVFWFLSA-N 1 0 440.979 4.327 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2C ZINC001164857194 720968868 /nfs/dbraw/zinc/96/88/68/720968868.db2.gz CWAVLLYLTZLCKU-GOSISDBHSA-N 1 0 447.562 4.237 20 0 IIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881209 721164354 /nfs/dbraw/zinc/16/43/54/721164354.db2.gz ZWGKIRWTLRUICK-PKTZIBPZSA-N 1 0 437.547 4.172 20 0 IIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872042 721175505 /nfs/dbraw/zinc/17/55/05/721175505.db2.gz GETOCQOSWUJPIU-IAGOWNOFSA-N 1 0 445.901 4.096 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772409 721200483 /nfs/dbraw/zinc/20/04/83/721200483.db2.gz UOBRYPWVTCPSLL-LEWJYISDSA-N 1 0 442.542 4.128 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776121 721327541 /nfs/dbraw/zinc/32/75/41/721327541.db2.gz CSSXZVICMZGRJZ-IFMALSPDSA-N 1 0 440.563 4.370 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884334 721447230 /nfs/dbraw/zinc/44/72/30/721447230.db2.gz ASCGMSYXRFHVQH-MBSDFSHPSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164783533 721454149 /nfs/dbraw/zinc/45/41/49/721454149.db2.gz CGBQIGDIPWFDGJ-HXUWFJFHSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164789383 721457397 /nfs/dbraw/zinc/45/73/97/721457397.db2.gz XOBCZRALHAKKHK-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164789840 721458380 /nfs/dbraw/zinc/45/83/80/721458380.db2.gz XQTGDLHHEWMUDO-FQEVSTJZSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164786915 721458455 /nfs/dbraw/zinc/45/84/55/721458455.db2.gz QMVWXFBMHAJZID-OAQYLSRUSA-N 1 0 445.007 4.017 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793354 721488365 /nfs/dbraw/zinc/48/83/65/721488365.db2.gz QRBSOWVBNANLDQ-NIRIFSCTSA-N 1 0 440.563 4.085 20 0 IIADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1)C1CC1 ZINC001164796378 721499573 /nfs/dbraw/zinc/49/95/73/721499573.db2.gz SETQRWJVMGUCNM-XMMPIXPASA-N 1 0 448.611 4.414 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895609 721505247 /nfs/dbraw/zinc/50/52/47/721505247.db2.gz DFWHUHQUVYUYKC-DHIUTWEWSA-N 1 0 433.600 4.056 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164905420 721559128 /nfs/dbraw/zinc/55/91/28/721559128.db2.gz HGNBWSVISNLSGL-PKOBYXMFSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164908660 721564893 /nfs/dbraw/zinc/56/48/93/721564893.db2.gz RLKUTPIEGXJJLY-CTNGQTDRSA-N 1 0 436.556 4.250 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808323 721588411 /nfs/dbraw/zinc/58/84/11/721588411.db2.gz QOTNQMHMGURCHE-JOCLIGHLSA-N 1 0 429.996 4.215 20 0 IIADRO FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905507 721710728 /nfs/dbraw/zinc/71/07/28/721710728.db2.gz GZRPXGWHFHLWEX-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCCN(CCC)c1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908771 721715683 /nfs/dbraw/zinc/71/56/83/721715683.db2.gz ZBBDSGSAQKPSME-QHCPKHFHSA-N 1 0 444.574 4.236 20 0 IIADRO FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904229 721719336 /nfs/dbraw/zinc/71/93/36/721719336.db2.gz AUKRRWGSGCDWEZ-VWLOTQADSA-N 1 0 447.533 4.375 20 0 IIADRO Cc1csc2nc(C)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909825 721730000 /nfs/dbraw/zinc/73/00/00/721730000.db2.gz DUWZAPZLGHYJAJ-OAQYLSRUSA-N 1 0 429.540 4.441 20 0 IIADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1Cl ZINC001165022110 721802440 /nfs/dbraw/zinc/80/24/40/721802440.db2.gz HZNZMZWJZPHPBY-LDQXTDLNSA-N 1 0 428.964 4.044 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]21 ZINC001165025897 721802845 /nfs/dbraw/zinc/80/28/45/721802845.db2.gz PVDKZZKBZVFKHL-NIJXNBFTSA-N 1 0 447.627 4.276 20 0 IIADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029668 721813265 /nfs/dbraw/zinc/81/32/65/721813265.db2.gz ZYMXWXBMMREZMD-NBCNXNJRSA-N 1 0 437.975 4.424 20 0 IIADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165024192 721814926 /nfs/dbraw/zinc/81/49/26/721814926.db2.gz JOPPFYKTCYOXIL-ILZDJORESA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 ZINC001165026316 721822550 /nfs/dbraw/zinc/82/25/50/721822550.db2.gz OUISPOFZCRGSMW-JLRUASKGSA-N 1 0 442.611 4.362 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@@H]21 ZINC001165021527 721832207 /nfs/dbraw/zinc/83/22/07/721832207.db2.gz FYNKWQPMUOLIBY-RYGJVYDSSA-N 1 0 437.638 4.062 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3cccc(Cl)c3n2)CC1 ZINC001165023475 721839535 /nfs/dbraw/zinc/83/95/35/721839535.db2.gz ZILCUHGJRGDMJI-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001165022977 721844427 /nfs/dbraw/zinc/84/44/27/721844427.db2.gz UXIVWGUZIDFYFL-UHFFFAOYSA-N 1 0 436.531 4.401 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164928058 721860103 /nfs/dbraw/zinc/86/01/03/721860103.db2.gz NAYVDDSADKBGNK-QZTJIDSGSA-N 1 0 429.342 4.301 20 0 IIADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cn1 ZINC001165036205 721914848 /nfs/dbraw/zinc/91/48/48/721914848.db2.gz AEBCQWNBTBAFFL-FQEVSTJZSA-N 1 0 443.975 4.139 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)cc1 ZINC001164938994 721929428 /nfs/dbraw/zinc/92/94/28/721929428.db2.gz GIUVOZYMENNGFW-UHFFFAOYSA-N 1 0 440.591 4.422 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164945437 721933190 /nfs/dbraw/zinc/93/31/90/721933190.db2.gz WTFVPTSEMYRZMW-UHFFFAOYSA-N 1 0 449.986 4.372 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)CC3)C2)cc1 ZINC001164940453 721933609 /nfs/dbraw/zinc/93/36/09/721933609.db2.gz DAJWPTMALYEMAA-UHFFFAOYSA-N 1 0 445.542 4.430 20 0 IIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056033 722018859 /nfs/dbraw/zinc/01/88/59/722018859.db2.gz UTXOTWVAMXQIOM-UHFFFAOYSA-N 1 0 445.592 4.264 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952959 722019023 /nfs/dbraw/zinc/01/90/23/722019023.db2.gz PSKCXMIZPSNZDV-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955453 722022226 /nfs/dbraw/zinc/02/22/26/722022226.db2.gz HLCHNXPBXIRANC-UHFFFAOYSA-N 1 0 433.934 4.440 20 0 IIADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c(C)cc2c1 ZINC001164960450 722051532 /nfs/dbraw/zinc/05/15/32/722051532.db2.gz NTJPGDBTVVZXDA-UHFFFAOYSA-N 1 0 432.568 4.066 20 0 IIADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983485 722102166 /nfs/dbraw/zinc/10/21/66/722102166.db2.gz QLYDYBQAFCQJEH-CRAIPNDOSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982074 722102255 /nfs/dbraw/zinc/10/22/55/722102255.db2.gz MRJWDFXTRVXWAJ-RDJZCZTQSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986257 722107662 /nfs/dbraw/zinc/10/76/62/722107662.db2.gz YNYVDLQSVWAQQO-ZBFHGGJFSA-N 1 0 427.763 4.164 20 0 IIADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973827 722118180 /nfs/dbraw/zinc/11/81/80/722118180.db2.gz HHQOLYZDNMOVCP-MBSDFSHPSA-N 1 0 438.959 4.019 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982466 722128865 /nfs/dbraw/zinc/12/88/65/722128865.db2.gz WPOYLCBGSGVXNY-KNQAVFIVSA-N 1 0 437.975 4.022 20 0 IIADRO CCCCOc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982259 722135650 /nfs/dbraw/zinc/13/56/50/722135650.db2.gz RLMBEUTZWUNEJP-SIKLNZKXSA-N 1 0 430.980 4.036 20 0 IIADRO Fc1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972220 722152474 /nfs/dbraw/zinc/15/24/74/722152474.db2.gz HCFLDEMFAZUKLF-AVRDEDQJSA-N 1 0 426.923 4.150 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994818 722208561 /nfs/dbraw/zinc/20/85/61/722208561.db2.gz IJQXMEAKJZLBOU-SANMLTNESA-N 1 0 446.526 4.299 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999086 722227409 /nfs/dbraw/zinc/22/74/09/722227409.db2.gz IBJRBWAIVWSRAV-VXKWHMMOSA-N 1 0 438.620 4.233 20 0 IIADRO COc1cc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000604766292 1126099983 /nfs/dbraw/zinc/09/99/83/1126099983.db2.gz YMSFKBHOSWKSEX-QAPCUYQASA-N 1 0 448.279 4.090 20 0 IIADRO COc1cccc(-c2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)co2)c1 ZINC001196104535 1126153552 /nfs/dbraw/zinc/15/35/52/1126153552.db2.gz NQFLHPHPCFHTON-QFIPXVFZSA-N 1 0 443.341 4.122 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@](C)(CO)Cc4ccc(F)cc4)cc3)nc12 ZINC001203283125 1126158112 /nfs/dbraw/zinc/15/81/12/1126158112.db2.gz OVPWJVNURONZDN-SANMLTNESA-N 1 0 433.527 4.444 20 0 IIADRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001203283738 1126158337 /nfs/dbraw/zinc/15/83/37/1126158337.db2.gz UXPASBZIRNNDDP-JOCHJYFZSA-N 1 0 428.374 4.335 20 0 IIADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)sc1Br ZINC001308479459 1126166460 /nfs/dbraw/zinc/16/64/60/1126166460.db2.gz JVWNVVGYGBXNFP-HNNXBMFYSA-N 1 0 437.172 4.496 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)ccc1F ZINC001460873076 1126193472 /nfs/dbraw/zinc/19/34/72/1126193472.db2.gz WQGCVXXGPQFXLF-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO OC[C@@]1([NH2+]Cc2cc(F)cc(Br)c2)CCc2cc(Br)ccc2C1 ZINC001460424975 1126191148 /nfs/dbraw/zinc/19/11/48/1126191148.db2.gz VOUOJCQUPKHEJP-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461672215 1126195823 /nfs/dbraw/zinc/19/58/23/1126195823.db2.gz MMUXYLWICHLQDN-SFHVURJKSA-N 1 0 446.311 4.084 20 0 IIADRO Cc1nc(N2CCCCC2)sc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001474226526 1126202985 /nfs/dbraw/zinc/20/29/85/1126202985.db2.gz FWLRTCKVAWHGIM-FQEVSTJZSA-N 1 0 438.435 4.288 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncc(-c3ccccc3Br)o2)cc1 ZINC001560183204 1126208892 /nfs/dbraw/zinc/20/88/92/1126208892.db2.gz WUXAIRZELHQKJU-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO CCOc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc(Br)c1OC(F)F ZINC001560442759 1126211104 /nfs/dbraw/zinc/21/11/04/1126211104.db2.gz YJECFLJMQLMASY-INIZCTEOSA-N 1 0 444.316 4.451 20 0 IIADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1OC(F)F ZINC001560548381 1126212420 /nfs/dbraw/zinc/21/24/20/1126212420.db2.gz MMCBQKNMOHEWNC-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC001620624524 1126241868 /nfs/dbraw/zinc/24/18/68/1126241868.db2.gz ZCDZSOVXQKAVBN-DEOSSOPVSA-N 1 0 435.549 4.156 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC001620536880 1126240946 /nfs/dbraw/zinc/24/09/46/1126240946.db2.gz GRAPZXFQTUQADW-DEOSSOPVSA-N 1 0 435.549 4.156 20 0 IIADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021995 1126244340 /nfs/dbraw/zinc/24/43/40/1126244340.db2.gz FNCAQLUMOJWXCE-UQBPGWFLSA-N 1 0 446.563 4.060 20 0 IIADRO O=C(Cc1c[nH]c2ccc(Br)cc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013470598 562987784 /nfs/dbraw/zinc/98/77/84/562987784.db2.gz HSNJPOOHNGHKMX-UHFFFAOYSA-N 1 0 426.358 4.254 20 0 IIADRO Fc1ccc2nc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)nc(Cl)c2c1 ZINC001164389806 718814641 /nfs/dbraw/zinc/81/46/41/718814641.db2.gz ZIGRWOUMSFWLCS-AWEZNQCLSA-N 1 0 438.803 4.478 20 0 IIADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164423289 718945013 /nfs/dbraw/zinc/94/50/13/718945013.db2.gz GUTTZZLIFMCWGU-SFTDATJTSA-N 1 0 433.625 4.370 20 0 IIADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c(Cl)nn1 ZINC001164428875 718947297 /nfs/dbraw/zinc/94/72/97/718947297.db2.gz LLSBVGSVHMPPPG-PXNSSMCTSA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164614283 719006861 /nfs/dbraw/zinc/00/68/61/719006861.db2.gz DTYRVNDLVCOGNB-DNVCBOLYSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164614288 719006947 /nfs/dbraw/zinc/00/69/47/719006947.db2.gz DTYRVNDLVCOGNB-HNAYVOBHSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)CC1 ZINC001164614093 719022321 /nfs/dbraw/zinc/02/23/21/719022321.db2.gz NCPNAFQDERDRNA-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)CC1 ZINC001164618469 719031298 /nfs/dbraw/zinc/03/12/98/719031298.db2.gz UDTIECCOZUQJJP-UHFFFAOYSA-N 1 0 430.637 4.316 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(Cl)cccc4nc3Cl)CC2)CC1 ZINC001164618028 719034659 /nfs/dbraw/zinc/03/46/59/719034659.db2.gz RDCWCKJEPKFGMQ-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623552 719075481 /nfs/dbraw/zinc/07/54/81/719075481.db2.gz JSEOWYLFKGMLLG-AEFFLSMTSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626539 719076065 /nfs/dbraw/zinc/07/60/65/719076065.db2.gz OGIGJODYUYCGGE-VQIMIIECSA-N 1 0 435.902 4.167 20 0 IIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)cc1 ZINC001164622286 719103127 /nfs/dbraw/zinc/10/31/27/719103127.db2.gz BPUZZBJZTZIGDD-UPVQGACJSA-N 1 0 442.563 4.406 20 0 IIADRO Cc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628785 719107151 /nfs/dbraw/zinc/10/71/51/719107151.db2.gz OFPUATUUPRARDF-DHIUTWEWSA-N 1 0 427.552 4.138 20 0 IIADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164665690 719359823 /nfs/dbraw/zinc/35/98/23/719359823.db2.gz YIKSMQQMTJSWNZ-HXUWFJFHSA-N 1 0 441.645 4.172 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164688152 719600047 /nfs/dbraw/zinc/60/00/47/719600047.db2.gz UPEBTQOPBSYLTH-URXFXBBRSA-N 1 0 446.599 4.330 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccsc43)CC2)c2ccccc21 ZINC001164684513 719664081 /nfs/dbraw/zinc/66/40/81/719664081.db2.gz XQNQDTJVDKJHFJ-HXUWFJFHSA-N 1 0 448.636 4.390 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4ccsc4cn3)CC2)c2ccccc21 ZINC001164681844 719672411 /nfs/dbraw/zinc/67/24/11/719672411.db2.gz NSZWQKBNKONLLL-FQEVSTJZSA-N 1 0 448.636 4.390 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)CC2 ZINC001164686733 719724985 /nfs/dbraw/zinc/72/49/85/719724985.db2.gz QSSCYWREQKLRQS-UHFFFAOYSA-N 1 0 449.986 4.131 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCCCC2)CC3)cs1 ZINC001164693738 719804014 /nfs/dbraw/zinc/80/40/14/719804014.db2.gz UNDTVUBYDOVAKC-UHFFFAOYSA-N 1 0 439.629 4.108 20 0 IIADRO COc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164691787 719805226 /nfs/dbraw/zinc/80/52/26/719805226.db2.gz JZRISTABKCSAFI-UHFFFAOYSA-N 1 0 439.585 4.047 20 0 IIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N4CCC(C)CC4)nn2)CC3)cs1 ZINC001164691274 719814059 /nfs/dbraw/zinc/81/40/59/719814059.db2.gz CRJLPLIAQDJTNI-UHFFFAOYSA-N 1 0 426.634 4.113 20 0 IIADRO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164698328 719897114 /nfs/dbraw/zinc/89/71/14/719897114.db2.gz RNEKXCJHYXVBCL-UHFFFAOYSA-N 1 0 444.601 4.362 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C ZINC001164705488 719902078 /nfs/dbraw/zinc/90/20/78/719902078.db2.gz CHXUDDDHPRXDOK-UHFFFAOYSA-N 1 0 435.597 4.088 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164710267 720101375 /nfs/dbraw/zinc/10/13/75/720101375.db2.gz IDGCFXPZQGLYQE-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816072 720162148 /nfs/dbraw/zinc/16/21/48/720162148.db2.gz KFNLAQDIPJSTAY-UUOWRZLLSA-N 1 0 426.630 4.063 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813693 720166748 /nfs/dbraw/zinc/16/67/48/720166748.db2.gz DMRXKGBDBQLAME-HXOBKFHXSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810303 720197770 /nfs/dbraw/zinc/19/77/70/720197770.db2.gz BRQCBNVJYIMPPI-DVECYGJZSA-N 1 0 442.991 4.415 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810787 720198260 /nfs/dbraw/zinc/19/82/60/720198260.db2.gz CPNISAWEXRPCCG-DVECYGJZSA-N 1 0 442.991 4.415 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2cc(Cl)ccc12 ZINC001164827885 720327342 /nfs/dbraw/zinc/32/73/42/720327342.db2.gz IZMOXQZAKSUSBI-FGZHOGPDSA-N 1 0 426.992 4.108 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730210 720465922 /nfs/dbraw/zinc/46/59/22/720465922.db2.gz SVAFRMMDVUXVNU-FTJBHMTQSA-N 1 0 440.595 4.382 20 0 IIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164722954 720476038 /nfs/dbraw/zinc/47/60/38/720476038.db2.gz BMXXUNKQVPTUSI-FTJBHMTQSA-N 1 0 437.547 4.457 20 0 IIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722948 720476527 /nfs/dbraw/zinc/47/65/27/720476527.db2.gz BHCJYIKVIHTHDQ-RBUKOAKNSA-N 1 0 425.895 4.310 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]21 ZINC001164836086 720515809 /nfs/dbraw/zinc/51/58/09/720515809.db2.gz MHABQVMOFRYWBP-NWSQWKLXSA-N 1 0 436.991 4.371 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)C1 ZINC001164735143 720520213 /nfs/dbraw/zinc/52/02/13/720520213.db2.gz UYTXRMQTSDVLLM-HNNXBMFYSA-N 1 0 438.988 4.406 20 0 IIADRO Cc1ccc(-c2nnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c3ccccc32)cc1C ZINC001164732961 720523689 /nfs/dbraw/zinc/52/36/89/720523689.db2.gz HRMVXVGBEXBLBS-HXUWFJFHSA-N 1 0 426.568 4.308 20 0 IIADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC001164734143 720555218 /nfs/dbraw/zinc/55/52/18/720555218.db2.gz VZRCFUZLADBGEQ-UHFFFAOYSA-N 1 0 430.581 4.213 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1C ZINC001164834020 720566173 /nfs/dbraw/zinc/56/61/73/720566173.db2.gz CGBIRMGYWIDJLR-NNMXDRDESA-N 1 0 439.007 4.474 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835205 720586107 /nfs/dbraw/zinc/58/61/07/720586107.db2.gz AOHVHHFHJIMNBM-FGTMMUONSA-N 1 0 448.949 4.336 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840251 720617457 /nfs/dbraw/zinc/61/74/57/720617457.db2.gz PKTHKZPEWFAENY-FUHIMQAGSA-N 1 0 426.515 4.142 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841788 720647188 /nfs/dbraw/zinc/64/71/88/720647188.db2.gz QAJDZAQNMFTDKY-YZGWKJHDSA-N 1 0 449.977 4.429 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837638 720652369 /nfs/dbraw/zinc/65/23/69/720652369.db2.gz DQEFEVSIYHNYIH-PCCBWWKXSA-N 1 0 439.991 4.471 20 0 IIADRO Cc1cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164844904 720680819 /nfs/dbraw/zinc/68/08/19/720680819.db2.gz WAAPVXXSKBRPEY-SFHVURJKSA-N 1 0 436.934 4.243 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164839680 720695361 /nfs/dbraw/zinc/69/53/61/720695361.db2.gz BGGVMXUGXLPMIB-FQEVSTJZSA-N 1 0 427.552 4.371 20 0 IIADRO COc1cccc(-c2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164844842 720704025 /nfs/dbraw/zinc/70/40/25/720704025.db2.gz VKCXRSYUBMIWIF-QHCPKHFHSA-N 1 0 444.579 4.412 20 0 IIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccncc2)n1 ZINC001164840895 720709545 /nfs/dbraw/zinc/70/95/45/720709545.db2.gz RUMMEJRPHKAXEM-QHCPKHFHSA-N 1 0 429.568 4.107 20 0 IIADRO COc1cccc(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840280 720713013 /nfs/dbraw/zinc/71/30/13/720713013.db2.gz OMNYZTXBXFGKII-QHCPKHFHSA-N 1 0 444.579 4.412 20 0 IIADRO COC(=O)c1cccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc21 ZINC001164836435 720721065 /nfs/dbraw/zinc/72/10/65/720721065.db2.gz AJVIJNJCGDPVRF-NRFANRHFSA-N 1 0 445.563 4.281 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164839831 720721875 /nfs/dbraw/zinc/72/18/75/720721875.db2.gz NQLQPEYXLRLLPC-DEOSSOPVSA-N 1 0 443.595 4.415 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164838273 720727772 /nfs/dbraw/zinc/72/77/72/720727772.db2.gz HRKJEZSOCOAVHU-IBGZPJMESA-N 1 0 426.992 4.269 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746971 720822350 /nfs/dbraw/zinc/82/23/50/720822350.db2.gz ZRVXTIFFJCJSAE-XQBPLPMBSA-N 1 0 436.991 4.168 20 0 IIADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744025 720827441 /nfs/dbraw/zinc/82/74/41/720827441.db2.gz TZCKKYBOGQVNFV-QNWVGRARSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739434 720842022 /nfs/dbraw/zinc/84/20/22/720842022.db2.gz AFMLNXLFLWZZFY-RZUBCFFCSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751883 720856936 /nfs/dbraw/zinc/85/69/36/720856936.db2.gz RLECFMPIXZAMFX-PWRODBHTSA-N 1 0 436.991 4.168 20 0 IIADRO c1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164752930 720877756 /nfs/dbraw/zinc/87/77/56/720877756.db2.gz NNAIDNHPDQCQSL-AHKZPQOWSA-N 1 0 428.580 4.385 20 0 IIADRO Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164752999 720879947 /nfs/dbraw/zinc/87/99/47/720879947.db2.gz OGAWSEYLRCTOGX-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164756832 720885336 /nfs/dbraw/zinc/88/53/36/720885336.db2.gz RHWUEKCQOJPVII-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755155 720927602 /nfs/dbraw/zinc/92/76/02/720927602.db2.gz ZEILMWAETYSFBP-IGKIAQTJSA-N 1 0 443.595 4.088 20 0 IIADRO CSCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750125 720928411 /nfs/dbraw/zinc/92/84/11/720928411.db2.gz JGDQUCQOGAKVFZ-ILBGXUMGSA-N 1 0 438.641 4.095 20 0 IIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866703 721118265 /nfs/dbraw/zinc/11/82/65/721118265.db2.gz USRJRDLEHSLTKY-MSOLQXFVSA-N 1 0 444.913 4.308 20 0 IIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881210 721164494 /nfs/dbraw/zinc/16/44/94/721164494.db2.gz ZWGKIRWTLRUICK-XZOQPEGZSA-N 1 0 437.547 4.172 20 0 IIADRO Clc1ccc(Cl)c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164872203 721179677 /nfs/dbraw/zinc/17/96/77/721179677.db2.gz GUQOSNHWWCIZFI-IRXDYDNUSA-N 1 0 429.351 4.416 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771836 721223654 /nfs/dbraw/zinc/22/36/54/721223654.db2.gz RCQJZEBAQPYNLR-VQTJNVASSA-N 1 0 436.991 4.106 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164769036 721276961 /nfs/dbraw/zinc/27/69/61/721276961.db2.gz NJASUAUICARDJP-BWKNWUBXSA-N 1 0 446.599 4.326 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778731 721341872 /nfs/dbraw/zinc/34/18/72/721341872.db2.gz OHBBYTIKNAAGNY-AREMUKBSSA-N 1 0 432.568 4.472 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777367 721352542 /nfs/dbraw/zinc/35/25/42/721352542.db2.gz GLSYZJWUTKHVIE-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccc(C[NH+]4CCCC4)cn2)CCO3)cs1 ZINC001164784765 721444828 /nfs/dbraw/zinc/44/48/28/721444828.db2.gz QOEOBGIYJPDPCO-XUZZJYLKSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164783582 721450804 /nfs/dbraw/zinc/45/08/04/721450804.db2.gz CIXNSSGPKUCYMT-SFHVURJKSA-N 1 0 428.404 4.122 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164795064 721498508 /nfs/dbraw/zinc/49/85/08/721498508.db2.gz CEIXKOLLQZJFHU-UHFFFAOYSA-N 1 0 429.568 4.332 20 0 IIADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903375 721550211 /nfs/dbraw/zinc/55/02/11/721550211.db2.gz CGPPRJIJNXLSOF-AEFFLSMTSA-N 1 0 429.927 4.147 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904097 721552402 /nfs/dbraw/zinc/55/24/02/721552402.db2.gz CZWHDAPMNCZAIR-IRLDBZIGSA-N 1 0 441.510 4.173 20 0 IIADRO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810503 721554850 /nfs/dbraw/zinc/55/48/50/721554850.db2.gz YNJWFHKOGZJWOL-QNWVGRARSA-N 1 0 438.959 4.160 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@@H+]3C2)c1 ZINC001164909167 721555521 /nfs/dbraw/zinc/55/55/21/721555521.db2.gz SHJXZPOTTVHNEB-DOTOQJQBSA-N 1 0 438.881 4.033 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911877 721556645 /nfs/dbraw/zinc/55/66/45/721556645.db2.gz ZSBQVZRZIJGPES-WBVHZDCISA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@@H+]3C2)c1 ZINC001164910312 721561095 /nfs/dbraw/zinc/56/10/95/721561095.db2.gz WHDCVOPWRZMAFA-DOTOQJQBSA-N 1 0 433.314 4.418 20 0 IIADRO CCCCOc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806796 721572252 /nfs/dbraw/zinc/57/22/52/721572252.db2.gz RTPJFMFGJGERQI-BHIFYINESA-N 1 0 430.980 4.177 20 0 IIADRO FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906141 721584129 /nfs/dbraw/zinc/58/41/29/721584129.db2.gz YZQPLGBNABIOHS-GOSISDBHSA-N 1 0 428.861 4.413 20 0 IIADRO FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906693 721587553 /nfs/dbraw/zinc/58/75/53/721587553.db2.gz OPHXBAXULVTWIY-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908510 721693891 /nfs/dbraw/zinc/69/38/91/721693891.db2.gz ZRTGPTYZIMABNK-SFHVURJKSA-N 1 0 444.860 4.292 20 0 IIADRO FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904772 721697260 /nfs/dbraw/zinc/69/72/60/721697260.db2.gz GIWGCOSDRRMMRZ-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCc1c(Cl)nnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1CC ZINC001164908071 721706220 /nfs/dbraw/zinc/70/62/20/721706220.db2.gz UZISBCAGUJKVGF-OAQYLSRUSA-N 1 0 435.950 4.388 20 0 IIADRO FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913968 721737251 /nfs/dbraw/zinc/73/72/51/721737251.db2.gz ZSTXCDPLPHLDSA-OAQYLSRUSA-N 1 0 433.934 4.142 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]21 ZINC001165023382 721803957 /nfs/dbraw/zinc/80/39/57/721803957.db2.gz JSKNBONLKNFBAS-BVYCBKJFSA-N 1 0 434.975 4.324 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@H]21 ZINC001165026889 721807157 /nfs/dbraw/zinc/80/71/57/721807157.db2.gz SAQGFJHKBYTNKY-KVSKMBFKSA-N 1 0 427.980 4.027 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028235 721811610 /nfs/dbraw/zinc/81/16/10/721811610.db2.gz WSENLEGRKPHJDZ-YYWHXJBOSA-N 1 0 442.991 4.352 20 0 IIADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029664 721813141 /nfs/dbraw/zinc/81/31/41/721813141.db2.gz ZYMXWXBMMREZMD-BPXKWBHBSA-N 1 0 437.975 4.424 20 0 IIADRO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165025220 721824313 /nfs/dbraw/zinc/82/43/13/721824313.db2.gz MGJFADONTKJYGM-OPHFCASCSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]21 ZINC001165026309 721830268 /nfs/dbraw/zinc/83/02/68/721830268.db2.gz OTFQGNWXDBCTER-KAGYGMCKSA-N 1 0 434.975 4.324 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3ccccc32)CC1 ZINC001165023369 721838746 /nfs/dbraw/zinc/83/87/46/721838746.db2.gz VTXOAEBAKNAWQP-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3cc(Cl)ccc3n2)CC1 ZINC001165021528 721839964 /nfs/dbraw/zinc/83/99/64/721839964.db2.gz NPTHIRSLMNWGOX-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(F)c(-c3ccsc3)n2)CC1 ZINC001165031110 721845054 /nfs/dbraw/zinc/84/50/54/721845054.db2.gz SMSUDQPUTFDRJW-UHFFFAOYSA-N 1 0 442.560 4.462 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921543 721872644 /nfs/dbraw/zinc/87/26/44/721872644.db2.gz DDYVTVSPCLYLKU-ZWKOTPCHSA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164935907 721885144 /nfs/dbraw/zinc/88/51/44/721885144.db2.gz YGHUBMRPNRVFOM-VQTJNVASSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Oc5ccccc5)ncn4)CC3)C2)cc1 ZINC001164938933 721922823 /nfs/dbraw/zinc/92/28/23/721922823.db2.gz CFRMAKSHNDMCKD-UHFFFAOYSA-N 1 0 430.552 4.449 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(C)nnc4Cl)CC3)C2)cc1 ZINC001164938603 721931179 /nfs/dbraw/zinc/93/11/79/721931179.db2.gz AIEGVPSLBLCKIS-UHFFFAOYSA-N 1 0 436.934 4.163 20 0 IIADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C ZINC001165042580 721936972 /nfs/dbraw/zinc/93/69/72/721936972.db2.gz JNISRKRZECRZIL-UHFFFAOYSA-N 1 0 438.597 4.155 20 0 IIADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)CC4CC[NH+](C)CC4)c23)C1 ZINC001165042675 721937220 /nfs/dbraw/zinc/93/72/20/721937220.db2.gz KGRUQXVTMICXHE-KRWDZBQOSA-N 1 0 427.662 4.190 20 0 IIADRO CC[NH+](CC)C1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165053319 722005691 /nfs/dbraw/zinc/00/56/91/722005691.db2.gz MLTDXXKCTXXCRM-UHFFFAOYSA-N 1 0 427.662 4.477 20 0 IIADRO COc1cccc(Oc2cncc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164956058 722020122 /nfs/dbraw/zinc/02/01/22/722020122.db2.gz VOXHNCPHUZARQL-UHFFFAOYSA-N 1 0 431.540 4.165 20 0 IIADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955905 722022531 /nfs/dbraw/zinc/02/25/31/722022531.db2.gz RXMGCNUIPIRREM-UHFFFAOYSA-N 1 0 433.934 4.051 20 0 IIADRO C[N@H+](Cc1ccc(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1)C1CC1 ZINC001164961408 722050175 /nfs/dbraw/zinc/05/01/75/722050175.db2.gz ZLJCGWQRDRTFCC-UHFFFAOYSA-N 1 0 439.567 4.165 20 0 IIADRO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964564 722056338 /nfs/dbraw/zinc/05/63/38/722056338.db2.gz VOQVSMHPYMRJMC-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2cccs2)n1 ZINC001164961516 722060546 /nfs/dbraw/zinc/06/05/46/722060546.db2.gz LDEXPERXBXFLRN-UHFFFAOYSA-N 1 0 435.597 4.028 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963010 722062130 /nfs/dbraw/zinc/06/21/30/722062130.db2.gz ARXOQVGLENRXPH-SFHVURJKSA-N 1 0 444.023 4.466 20 0 IIADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968019 722072291 /nfs/dbraw/zinc/07/22/91/722072291.db2.gz YIQJWZQQEOEXBV-SZPZYZBQSA-N 1 0 447.970 4.158 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CNC3=O)nc1 ZINC001164968219 722078460 /nfs/dbraw/zinc/07/84/60/722078460.db2.gz WNJZHUKAENMQSS-XMMPIXPASA-N 1 0 432.612 4.478 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982070 722102173 /nfs/dbraw/zinc/10/21/73/722102173.db2.gz MRJWDFXTRVXWAJ-NVXWUHKLSA-N 1 0 443.325 4.056 20 0 IIADRO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985266 722107759 /nfs/dbraw/zinc/10/77/59/722107759.db2.gz VWIYKHXREHYYGY-VGSWGCGISA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164970905 722112365 /nfs/dbraw/zinc/11/23/65/722112365.db2.gz AMFFNPNXLJBSEE-APWZRJJASA-N 1 0 444.366 4.059 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980273 722131860 /nfs/dbraw/zinc/13/18/60/722131860.db2.gz MJRWSTPUSQNSHI-IEBWSBKVSA-N 1 0 428.989 4.380 20 0 IIADRO Clc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983308 722132788 /nfs/dbraw/zinc/13/27/88/722132788.db2.gz TXBGJIIHRRJLDA-IERDGZPVSA-N 1 0 444.366 4.059 20 0 IIADRO CC(C)(C)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978062 722138678 /nfs/dbraw/zinc/13/86/78/722138678.db2.gz JLUOJQWYQAMCEW-SFTDATJTSA-N 1 0 437.632 4.194 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971126 722154195 /nfs/dbraw/zinc/15/41/95/722154195.db2.gz ATWXYHDTESNOJM-IFMALSPDSA-N 1 0 442.007 4.300 20 0 IIADRO Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972748 722157273 /nfs/dbraw/zinc/15/72/73/722157273.db2.gz JKQATRCQNKMTEL-QFBILLFUSA-N 1 0 444.366 4.059 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977239 722158397 /nfs/dbraw/zinc/15/83/97/722158397.db2.gz YGQFGMRMAYXYBR-WIYYLYMNSA-N 1 0 448.945 4.280 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974686 722159015 /nfs/dbraw/zinc/15/90/15/722159015.db2.gz OWUMDDJHXCVMKJ-MBSDFSHPSA-N 1 0 438.959 4.019 20 0 IIADRO CC(C)(C)OC(=O)Nc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164995849 722195124 /nfs/dbraw/zinc/19/51/24/722195124.db2.gz YQQZNVMQXFHUFS-QHCPKHFHSA-N 1 0 427.524 4.208 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000480471961 1126094935 /nfs/dbraw/zinc/09/49/35/1126094935.db2.gz QPJQDRWIWJWXDS-LJQANCHMSA-N 1 0 432.337 4.084 20 0 IIADRO CCCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000500227185 1126095275 /nfs/dbraw/zinc/09/52/75/1126095275.db2.gz DUUQNPAIDCFQGV-KRWDZBQOSA-N 1 0 426.326 4.079 20 0 IIADRO O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507949038 1126095296 /nfs/dbraw/zinc/09/52/96/1126095296.db2.gz FSVHQLCVOCLIFI-HOCLYGCPSA-N 1 0 436.243 4.377 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC000500244347 1126095323 /nfs/dbraw/zinc/09/53/23/1126095323.db2.gz FKQOQBLPQJUQKM-OAHLLOKOSA-N 1 0 448.279 4.282 20 0 IIADRO O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997671 1126095600 /nfs/dbraw/zinc/09/56/00/1126095600.db2.gz VKMWPPVLIZPIBB-RBUKOAKNSA-N 1 0 425.401 4.218 20 0 IIADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000604766829 1126100491 /nfs/dbraw/zinc/10/04/91/1126100491.db2.gz TVQATMPHINWDOT-INIZCTEOSA-N 1 0 433.346 4.031 20 0 IIADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccccc1C ZINC001178501024 1126151096 /nfs/dbraw/zinc/15/10/96/1126151096.db2.gz KUJPDUVZBULBEX-INIZCTEOSA-N 1 0 443.179 4.222 20 0 IIADRO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)on1 ZINC001183419203 1126153310 /nfs/dbraw/zinc/15/33/10/1126153310.db2.gz JCBIMXLEAVTFQM-JOCHJYFZSA-N 1 0 437.968 4.171 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1Br ZINC001202025480 1126156897 /nfs/dbraw/zinc/15/68/97/1126156897.db2.gz WDBQZIBYKCNBPC-HNNXBMFYSA-N 1 0 443.179 4.222 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1c(F)cccc1Br ZINC001308117837 1126163595 /nfs/dbraw/zinc/16/35/95/1126163595.db2.gz NGRCJYJVXHQVKX-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263546 1126164567 /nfs/dbraw/zinc/16/45/67/1126164567.db2.gz DUWLEIBQHMQLHY-UTKZUKDTSA-N 1 0 425.447 4.025 20 0 IIADRO Cc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001308393583 1126165561 /nfs/dbraw/zinc/16/55/61/1126165561.db2.gz YCGKJSKUSCDTEU-HNNXBMFYSA-N 1 0 431.143 4.352 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1Br ZINC001473999864 1126201371 /nfs/dbraw/zinc/20/13/71/1126201371.db2.gz VMHRDBCTHNKCQY-HNNXBMFYSA-N 1 0 438.163 4.386 20 0 IIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000013366240 562985813 /nfs/dbraw/zinc/98/58/13/562985813.db2.gz CLLLYCKXOWVBGE-AREMUKBSSA-N 1 0 439.559 4.165 20 0 IIADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413564 718881826 /nfs/dbraw/zinc/88/18/26/718881826.db2.gz JVTSRBFZGDHLRN-GFCCVEGCSA-N 1 0 442.816 4.025 20 0 IIADRO Clc1nc2c(c(N3CCCC[C@@H]3C3CC[NH2+]CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164420266 718891535 /nfs/dbraw/zinc/89/15/35/718891535.db2.gz TVFFWUPSPVGLMF-JOCHJYFZSA-N 1 0 426.008 4.047 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)CC1 ZINC001164614797 719021822 /nfs/dbraw/zinc/02/18/22/719021822.db2.gz YMEZUKJUIRFGGF-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)CC1 ZINC001164614198 719022050 /nfs/dbraw/zinc/02/20/50/719022050.db2.gz PCRZTHRWKJDLKH-UHFFFAOYSA-N 1 0 436.330 4.177 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)CC2)CC1 ZINC001164616301 719026352 /nfs/dbraw/zinc/02/63/52/719026352.db2.gz AACMEGBKKXFXRJ-UHFFFAOYSA-N 1 0 440.922 4.005 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C4CCCCC4)n3)CC2)CC1 ZINC001164617507 719034578 /nfs/dbraw/zinc/03/45/78/719034578.db2.gz LGVAREFQGDUSHC-UHFFFAOYSA-N 1 0 435.012 4.422 20 0 IIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623555 719075739 /nfs/dbraw/zinc/07/57/39/719075739.db2.gz JSEOWYLFKGMLLG-SJLPKXTDSA-N 1 0 435.902 4.167 20 0 IIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629149 719082413 /nfs/dbraw/zinc/08/24/13/719082413.db2.gz WAHSPHWUTOKWGL-CVEARBPZSA-N 1 0 435.355 4.061 20 0 IIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629632 719084071 /nfs/dbraw/zinc/08/40/71/719084071.db2.gz YIJIAFPYLMNHAZ-FPOVZHCZSA-N 1 0 426.992 4.318 20 0 IIADRO C[C@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H](C)CN1C ZINC001164643241 719229029 /nfs/dbraw/zinc/22/90/29/719229029.db2.gz YKGQTLMEKIQFCL-OALUTQOASA-N 1 0 441.019 4.285 20 0 IIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3c1ccn3C)CC2 ZINC001164664457 719347444 /nfs/dbraw/zinc/34/74/44/719347444.db2.gz UNEXLPKZIRTDFG-UHFFFAOYSA-N 1 0 426.568 4.268 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C4CC4)ccn3)CC2)c2ccccc21 ZINC001164686998 719670805 /nfs/dbraw/zinc/67/08/05/719670805.db2.gz ZOJIALMNRCDLMH-JOCHJYFZSA-N 1 0 432.612 4.052 20 0 IIADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)C)n1 ZINC001164680071 719677587 /nfs/dbraw/zinc/67/75/87/719677587.db2.gz BIXMSZJHIFHBDV-NRFANRHFSA-N 1 0 449.643 4.002 20 0 IIADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693480 719804158 /nfs/dbraw/zinc/80/41/58/719804158.db2.gz UCNVYIXFUXIQMR-BQYQJAHWSA-N 1 0 426.586 4.058 20 0 IIADRO COc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c(OC)c1 ZINC001164693009 719809480 /nfs/dbraw/zinc/80/94/80/719809480.db2.gz OXQZGSWRQQLRHP-UHFFFAOYSA-N 1 0 439.585 4.047 20 0 IIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695321 719888872 /nfs/dbraw/zinc/88/88/72/719888872.db2.gz NRPMDSPNNLWNQV-UHFFFAOYSA-N 1 0 449.354 4.261 20 0 IIADRO COc1cc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164696209 719894441 /nfs/dbraw/zinc/89/44/41/719894441.db2.gz CCTLAXRUGDPDHE-UHFFFAOYSA-N 1 0 439.581 4.185 20 0 IIADRO Fc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1-c1ccsc1 ZINC001164706310 719907857 /nfs/dbraw/zinc/90/78/57/719907857.db2.gz HLOJHBIZGOVAOR-UHFFFAOYSA-N 1 0 430.574 4.277 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164719097 720113932 /nfs/dbraw/zinc/11/39/32/720113932.db2.gz VYZZAGFVDJJGFM-HXUWFJFHSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164719455 720127341 /nfs/dbraw/zinc/12/73/41/720127341.db2.gz XANSYJATHLPYGV-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164713579 720140767 /nfs/dbraw/zinc/14/07/67/720140767.db2.gz SGJFNGMGFYZVMB-IBGZPJMESA-N 1 0 449.624 4.083 20 0 IIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711912 720157722 /nfs/dbraw/zinc/15/77/22/720157722.db2.gz DNFMVLQFTUAYFY-TZIWHRDSSA-N 1 0 448.615 4.374 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810168 720205974 /nfs/dbraw/zinc/20/59/74/720205974.db2.gz ABFBXVHYPXDIRS-RXVVDRJESA-N 1 0 425.951 4.342 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810747 720206822 /nfs/dbraw/zinc/20/68/22/720206822.db2.gz CKWLYJVTUWDSIO-SBUREZEXSA-N 1 0 433.955 4.221 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001164827739 720317173 /nfs/dbraw/zinc/31/71/73/720317173.db2.gz IEFSDRZAXVSGHK-VXKWHMMOSA-N 1 0 439.003 4.314 20 0 IIADRO FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@]12CCN(c1ccccc1)C2 ZINC001164822230 720395089 /nfs/dbraw/zinc/39/50/89/720395089.db2.gz KUYHVJQJGCBPFI-DEOSSOPVSA-N 1 0 442.554 4.298 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729409 720418956 /nfs/dbraw/zinc/41/89/56/720418956.db2.gz HJZJDQSMEJPNSZ-DQEYMECFSA-N 1 0 442.563 4.432 20 0 IIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730910 720433992 /nfs/dbraw/zinc/43/39/92/720433992.db2.gz JPGBEAHJFGRIRD-WOJBJXKFSA-N 1 0 436.943 4.313 20 0 IIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732519 720435667 /nfs/dbraw/zinc/43/56/67/720435667.db2.gz NYWCRVKFRGHINX-FOVJLYNBSA-N 1 0 428.584 4.257 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733276 720503745 /nfs/dbraw/zinc/50/37/45/720503745.db2.gz ZOICGZKGASCXPF-UMFSSWHCSA-N 1 0 449.599 4.038 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164731234 720510492 /nfs/dbraw/zinc/51/04/92/720510492.db2.gz OMRDWFILAAMANH-INIZCTEOSA-N 1 0 431.918 4.341 20 0 IIADRO COc1ccc2c(c1)nc(N1Cc3nccn3C[C@H](C[NH+](C)C)C1)cc2-c1ccccc1 ZINC001164735477 720524259 /nfs/dbraw/zinc/52/42/59/720524259.db2.gz YMHLXZZFKWTJRM-IBGZPJMESA-N 1 0 427.552 4.305 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]21 ZINC001164838963 720545923 /nfs/dbraw/zinc/54/59/23/720545923.db2.gz PESZVLUPIAUHDP-ACRUOGEOSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]21 ZINC001164835821 720546650 /nfs/dbraw/zinc/54/66/50/720546650.db2.gz HYXRTFLQVNMNPO-IPJJNNNSSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835818 720553339 /nfs/dbraw/zinc/55/33/39/720553339.db2.gz HWPGYCUAMJKFMB-UNWVZKJWSA-N 1 0 433.604 4.121 20 0 IIADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840725 720568380 /nfs/dbraw/zinc/56/83/80/720568380.db2.gz SRKLHTDTXQRSFB-QKNQBKEWSA-N 1 0 430.556 4.259 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842205 720590089 /nfs/dbraw/zinc/59/00/89/720590089.db2.gz ULBZRDNBEJGNKJ-PLMTUMEDSA-N 1 0 449.990 4.339 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@@H]21 ZINC001164835595 720593168 /nfs/dbraw/zinc/59/31/68/720593168.db2.gz BPJYVVIZEOEUNP-GIVPXCGWSA-N 1 0 440.592 4.003 20 0 IIADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164740944 720598668 /nfs/dbraw/zinc/59/86/68/720598668.db2.gz KTAPSHPTRNSFRT-UHFFFAOYSA-N 1 0 449.977 4.404 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836315 720627733 /nfs/dbraw/zinc/62/77/33/720627733.db2.gz FSJDLUSKVCZZTL-XPWALMASSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164836815 720634742 /nfs/dbraw/zinc/63/47/42/720634742.db2.gz GYHOCEMWAOFMAW-SYNHAJSKSA-N 1 0 444.505 4.281 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(CSc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842730 720641476 /nfs/dbraw/zinc/64/14/76/720641476.db2.gz VHEXHCRGMJEPEC-QNWVGRARSA-N 1 0 448.640 4.343 20 0 IIADRO Cc1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164844902 720681479 /nfs/dbraw/zinc/68/14/79/720681479.db2.gz WAAPVXXSKBRPEY-GOSISDBHSA-N 1 0 436.934 4.243 20 0 IIADRO CSc1nc2c(c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n1)CCCC2 ZINC001164844459 720687862 /nfs/dbraw/zinc/68/78/62/720687862.db2.gz SDOHXVRSOZQACT-FQEVSTJZSA-N 1 0 438.641 4.337 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164842670 720693382 /nfs/dbraw/zinc/69/33/82/720693382.db2.gz MLNGWSIEJOKEKZ-KRWDZBQOSA-N 1 0 436.934 4.122 20 0 IIADRO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840532 720701274 /nfs/dbraw/zinc/70/12/74/720701274.db2.gz FYYPTCUPVNULOY-IBGZPJMESA-N 1 0 436.531 4.037 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164837050 720711017 /nfs/dbraw/zinc/71/10/17/720711017.db2.gz DBYZVMMGGAASRK-LJQANCHMSA-N 1 0 434.609 4.440 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164838393 720711521 /nfs/dbraw/zinc/71/15/21/720711521.db2.gz IXOYIGOJMYBUQR-HSZRJFAPSA-N 1 0 444.579 4.412 20 0 IIADRO Cc1cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)nn1 ZINC001164837592 720712827 /nfs/dbraw/zinc/71/28/27/720712827.db2.gz DWLJSANQNNGWLU-SFHVURJKSA-N 1 0 436.934 4.243 20 0 IIADRO COc1ccccc1-c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836912 720714469 /nfs/dbraw/zinc/71/44/69/720714469.db2.gz BUPRFOAGPFGUJV-QFIPXVFZSA-N 1 0 444.579 4.412 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746967 720821963 /nfs/dbraw/zinc/82/19/63/720821963.db2.gz ZRVXTIFFJCJSAE-WOIUINJBSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164756834 720885583 /nfs/dbraw/zinc/88/55/83/720885583.db2.gz RHWUEKCQOJPVII-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860614 720902326 /nfs/dbraw/zinc/90/23/26/720902326.db2.gz SHTNVENELRKUCY-CLCZQPDDSA-N 1 0 448.611 4.186 20 0 IIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866652 721114428 /nfs/dbraw/zinc/11/44/28/721114428.db2.gz UNHVTTFRYXEDQE-RBUKOAKNSA-N 1 0 444.913 4.308 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164770988 721161884 /nfs/dbraw/zinc/16/18/84/721161884.db2.gz RUDRKUJJFXDVDR-PKTZIBPZSA-N 1 0 438.579 4.297 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764993 721164215 /nfs/dbraw/zinc/16/42/15/721164215.db2.gz HKBOLDKQGITXQO-CVEARBPZSA-N 1 0 446.382 4.242 20 0 IIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872049 721176340 /nfs/dbraw/zinc/17/63/40/721176340.db2.gz GETOCQOSWUJPIU-SJORKVTESA-N 1 0 445.901 4.096 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874434 721182551 /nfs/dbraw/zinc/18/25/51/721182551.db2.gz JXPKAJJHZPTUFA-UXHICEINSA-N 1 0 427.980 4.052 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874435 721183574 /nfs/dbraw/zinc/18/35/74/721183574.db2.gz JXPKAJJHZPTUFA-VQTJNVASSA-N 1 0 427.980 4.052 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767630 721183743 /nfs/dbraw/zinc/18/37/43/721183743.db2.gz KFYMIQPOUHCFSN-RTWAWAEBSA-N 1 0 437.975 4.006 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)s1 ZINC001164772337 721211411 /nfs/dbraw/zinc/21/14/11/721211411.db2.gz SHRVXHCNVQEOKW-WOJBJXKFSA-N 1 0 444.608 4.359 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)s1 ZINC001164772336 721212226 /nfs/dbraw/zinc/21/22/26/721212226.db2.gz SHRVXHCNVQEOKW-VQTJNVASSA-N 1 0 444.608 4.359 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC001164871691 721222883 /nfs/dbraw/zinc/22/28/83/721222883.db2.gz KOGPSVRZULJNKV-QHCPKHFHSA-N 1 0 435.616 4.289 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771835 721223452 /nfs/dbraw/zinc/22/34/52/721223452.db2.gz RCQJZEBAQPYNLR-UXHICEINSA-N 1 0 436.991 4.106 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164769042 721276608 /nfs/dbraw/zinc/27/66/08/721276608.db2.gz NJASUAUICARDJP-SQJMNOBHSA-N 1 0 446.599 4.326 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778748 721341472 /nfs/dbraw/zinc/34/14/72/721341472.db2.gz OHBBYTIKNAAGNY-SANMLTNESA-N 1 0 432.568 4.472 20 0 IIADRO CSc1cc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777300 721346452 /nfs/dbraw/zinc/34/64/52/721346452.db2.gz FUERDCMMZNHVCX-OAQYLSRUSA-N 1 0 437.009 4.181 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164787349 721442344 /nfs/dbraw/zinc/44/23/44/721442344.db2.gz WVEUBPYTLBWXBL-ZEQRLZLVSA-N 1 0 446.599 4.078 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897879 721446817 /nfs/dbraw/zinc/44/68/17/721446817.db2.gz VBTFDYUNFDFJAL-GAJHUEQPSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164789481 721450279 /nfs/dbraw/zinc/45/02/79/721450279.db2.gz WPNSGXCYRFDPGH-SFHVURJKSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164782809 721461797 /nfs/dbraw/zinc/46/17/97/721461797.db2.gz CQWCSCMZTACQDV-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164791755 721468124 /nfs/dbraw/zinc/46/81/24/721468124.db2.gz YLMJWEZIGFQIIK-HXUWFJFHSA-N 1 0 449.039 4.050 20 0 IIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791984 721493063 /nfs/dbraw/zinc/49/30/63/721493063.db2.gz IJCPJCSKECNAPC-UHFFFAOYSA-N 1 0 442.991 4.496 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898657 721501973 /nfs/dbraw/zinc/50/19/73/721501973.db2.gz SZQSQNLECKKCTH-GOTSBHOMSA-N 1 0 442.648 4.166 20 0 IIADRO COc1cccc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794546 721525946 /nfs/dbraw/zinc/52/59/46/721525946.db2.gz FSNQFHHNQRSFHK-LJFZDNNRSA-N 1 0 438.959 4.160 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164811307 721587703 /nfs/dbraw/zinc/58/77/03/721587703.db2.gz XFPJRMQJIABWEB-VSKRKVRLSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800079 721588871 /nfs/dbraw/zinc/58/88/71/721588871.db2.gz BNZHWPOKHKHLSI-TXTKFYIRSA-N 1 0 426.923 4.291 20 0 IIADRO FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906212 721691744 /nfs/dbraw/zinc/69/17/44/721691744.db2.gz MERBAUCQPNTOQS-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO Fc1ccc(-c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910555 721727899 /nfs/dbraw/zinc/72/78/99/721727899.db2.gz FXVVFJXWIGZIMU-HSZRJFAPSA-N 1 0 439.485 4.415 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)cc1 ZINC001165011428 721741622 /nfs/dbraw/zinc/74/16/22/721741622.db2.gz XFYUZMKNPNVNKE-UHFFFAOYSA-N 1 0 443.595 4.128 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020278 721799615 /nfs/dbraw/zinc/79/96/15/721799615.db2.gz DVAWBTKPPWPBSO-FFZOFVMBSA-N 1 0 428.964 4.044 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@@H]21 ZINC001165025893 721802837 /nfs/dbraw/zinc/80/28/37/721802837.db2.gz PVDKZZKBZVFKHL-DCEDVJGZSA-N 1 0 447.627 4.276 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@H]21 ZINC001165025070 721803850 /nfs/dbraw/zinc/80/38/50/721803850.db2.gz NKOMJZOERHCSIL-XAUMDUMWSA-N 1 0 430.021 4.051 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]21 ZINC001165020314 721805840 /nfs/dbraw/zinc/80/58/40/721805840.db2.gz FDEPDAOCGKDFBR-JLJPHGGASA-N 1 0 442.341 4.460 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1 ZINC001164917073 721811388 /nfs/dbraw/zinc/81/13/88/721811388.db2.gz KDUVVLHLUVVQRY-GECPAALWSA-N 1 0 442.629 4.286 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164917075 721811499 /nfs/dbraw/zinc/81/14/99/721811499.db2.gz KDUVVLHLUVVQRY-IUBSTNSRSA-N 1 0 442.629 4.286 20 0 IIADRO COc1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165026403 721816631 /nfs/dbraw/zinc/81/66/31/721816631.db2.gz PTLCXHVNOMOJTJ-XKCSPQBFSA-N 1 0 432.568 4.384 20 0 IIADRO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)c1C ZINC001165024792 721817164 /nfs/dbraw/zinc/81/71/64/721817164.db2.gz KPBRSLUNNZYLMT-YTQUADARSA-N 1 0 435.950 4.424 20 0 IIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165025678 721823354 /nfs/dbraw/zinc/82/33/54/721823354.db2.gz NJRPPYPLWAJCGC-OPHFCASCSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027576 721824180 /nfs/dbraw/zinc/82/41/80/721824180.db2.gz SRKNOAOTXOGLLW-NGYIFUPDSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncn2)cc1 ZINC001165021497 721825527 /nfs/dbraw/zinc/82/55/27/721825527.db2.gz FWQCLJXGMMQIEX-GRYUFTJMSA-N 1 0 429.568 4.284 20 0 IIADRO COc1cc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c(OC)c1 ZINC001165027878 721830066 /nfs/dbraw/zinc/83/00/66/721830066.db2.gz UQFOSRGOPLTSOL-KUWBRRTOSA-N 1 0 432.568 4.384 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@H]21 ZINC001165021524 721832074 /nfs/dbraw/zinc/83/20/74/721832074.db2.gz FYNKWQPMUOLIBY-CWFSZBLJSA-N 1 0 437.638 4.062 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2CCCC3)CC1 ZINC001165022247 721839320 /nfs/dbraw/zinc/83/93/20/721839320.db2.gz QNBJXEYPCGPAGH-UHFFFAOYSA-N 1 0 430.980 4.127 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)nc3ncccc23)CC1 ZINC001165020520 721840261 /nfs/dbraw/zinc/84/02/61/721840261.db2.gz KGIUKFWNZZYAEK-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165021457 721840342 /nfs/dbraw/zinc/84/03/42/721840342.db2.gz NAOULGLEITUSEO-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO COC(=O)c1cccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ccc21 ZINC001165030366 721844236 /nfs/dbraw/zinc/84/42/36/721844236.db2.gz JTFYRBAJPCTMQU-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934613 721878049 /nfs/dbraw/zinc/87/80/49/721878049.db2.gz SRCAIFHXKXMWBS-MOPGFXCFSA-N 1 0 428.005 4.226 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164931900 721879561 /nfs/dbraw/zinc/87/95/61/721879561.db2.gz GOTLTZJGPOHCDG-SJORKVTESA-N 1 0 427.643 4.251 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nnc(Cl)cc4-c4ccncc4)CC3)C2)cc1 ZINC001164940516 721921606 /nfs/dbraw/zinc/92/16/06/721921606.db2.gz SKRNTLSWDGVCLR-UHFFFAOYSA-N 1 0 449.986 4.372 20 0 IIADRO COC(=O)c1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ccc2c1 ZINC001164938896 721924980 /nfs/dbraw/zinc/92/49/80/721924980.db2.gz AEECWFJWMZZAEX-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO COc1ccccc1-c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940648 721931540 /nfs/dbraw/zinc/93/15/40/721931540.db2.gz VJLGSERIFXRVPN-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO COC(=O)c1cccc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ccc21 ZINC001164940178 721932575 /nfs/dbraw/zinc/93/25/75/721932575.db2.gz RFTWQBXAELVJHI-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO Cc1nc(Cn2c(=O)ccc3c2CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC3)cs1 ZINC001164952209 722007420 /nfs/dbraw/zinc/00/74/20/722007420.db2.gz LIHUDKAAPBYJGO-UHFFFAOYSA-N 1 0 428.989 4.046 20 0 IIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954326 722012427 /nfs/dbraw/zinc/01/24/27/722012427.db2.gz KVQLVEIDPBQOIF-UHFFFAOYSA-N 1 0 428.314 4.216 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955585 722012626 /nfs/dbraw/zinc/01/26/26/722012626.db2.gz XCCGWXNSJXPVNF-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO COc1cccc(-c2nc3ccccc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)c1 ZINC001165054763 722018815 /nfs/dbraw/zinc/01/88/15/722018815.db2.gz BOSOTERTKSVRRY-UHFFFAOYSA-N 1 0 425.536 4.065 20 0 IIADRO COc1ccc(Oc2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc(C)n2)cc1 ZINC001164962673 722024310 /nfs/dbraw/zinc/02/43/10/722024310.db2.gz QTIVXOXOUJSATI-UHFFFAOYSA-N 1 0 445.567 4.473 20 0 IIADRO FC(F)c1nc2ccccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960727 722060510 /nfs/dbraw/zinc/06/05/10/722060510.db2.gz JMMBNTNNRSFESF-UHFFFAOYSA-N 1 0 439.510 4.081 20 0 IIADRO CC(C)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C(C)(C)C)n1 ZINC001164960674 722061115 /nfs/dbraw/zinc/06/11/15/722061115.db2.gz GWKTURDXXJDYPM-UHFFFAOYSA-N 1 0 437.632 4.412 20 0 IIADRO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964256 722062054 /nfs/dbraw/zinc/06/20/54/722062054.db2.gz FQTUTXLBBHMNLB-UHFFFAOYSA-N 1 0 447.558 4.105 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1 ZINC001164965827 722066967 /nfs/dbraw/zinc/06/69/67/722066967.db2.gz PEZCHHWTXAXTCF-HXUWFJFHSA-N 1 0 441.645 4.076 20 0 IIADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983427 722107953 /nfs/dbraw/zinc/10/79/53/722107953.db2.gz QBJIXJHFQMXCDE-NQIIRXRSSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975004 722110074 /nfs/dbraw/zinc/11/00/74/722110074.db2.gz JFBDYWWBKRNOLN-OXJNMPFZSA-N 1 0 444.366 4.059 20 0 IIADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973823 722118322 /nfs/dbraw/zinc/11/83/22/722118322.db2.gz HHQOLYZDNMOVCP-FDDCHVKYSA-N 1 0 438.959 4.019 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984194 722130948 /nfs/dbraw/zinc/13/09/48/722130948.db2.gz WIFYVBWNFUHEJU-XMSQKQJNSA-N 1 0 438.959 4.019 20 0 IIADRO Clc1cccc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976168 722152468 /nfs/dbraw/zinc/15/24/68/722152468.db2.gz UNBRWQRFWIXNHC-QFBILLFUSA-N 1 0 444.366 4.059 20 0 IIADRO O=C(NCc1ccccc1)c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994864 722193592 /nfs/dbraw/zinc/19/35/92/722193592.db2.gz QKKUOBLGFOAALT-HHHXNRCGSA-N 1 0 444.554 4.396 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994350 722211155 /nfs/dbraw/zinc/21/11/55/722211155.db2.gz AXEQBHVSQFNOCA-HXUWFJFHSA-N 1 0 433.318 4.111 20 0 IIADRO C[N@H+](Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1)C1CC1 ZINC001164998043 722221588 /nfs/dbraw/zinc/22/15/88/722221588.db2.gz GXVWYCHYNLTIEW-RUZDIDTESA-N 1 0 430.596 4.256 20 0 IIADRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164997957 722222008 /nfs/dbraw/zinc/22/20/08/722222008.db2.gz FCXVVWHYQUVKTD-XMMPIXPASA-N 1 0 430.596 4.258 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999088 722227530 /nfs/dbraw/zinc/22/75/30/722227530.db2.gz IBJRBWAIVWSRAV-YADHBBJMSA-N 1 0 438.620 4.233 20 0 IIADRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc(Br)c1OC(F)F ZINC000466911194 1126094129 /nfs/dbraw/zinc/09/41/29/1126094129.db2.gz ORIVRYCODAFDKS-HNNXBMFYSA-N 1 0 430.289 4.061 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605161 1126094907 /nfs/dbraw/zinc/09/49/07/1126094907.db2.gz RQOWOWNOGJDOEN-HXUWFJFHSA-N 1 0 428.458 4.125 20 0 IIADRO CCCOc1c(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OCC ZINC000604768113 1126100536 /nfs/dbraw/zinc/10/05/36/1126100536.db2.gz ICTZDDHHGKUBSN-UHFFFAOYSA-N 1 0 434.374 4.256 20 0 IIADRO COc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C ZINC000604766857 1126100683 /nfs/dbraw/zinc/10/06/83/1126100683.db2.gz VGTZINOPHWPHCK-FQEVSTJZSA-N 1 0 435.524 4.054 20 0 IIADRO COc1ccc(-c2cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)on2)cc1 ZINC001176586136 1126149397 /nfs/dbraw/zinc/14/93/97/1126149397.db2.gz AHBBCBUYYGMJOX-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)ccc2I)cc1C ZINC001178868889 1126151334 /nfs/dbraw/zinc/15/13/34/1126151334.db2.gz YKUNENCYCGQRNN-KRWDZBQOSA-N 1 0 429.729 4.255 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)ccc2I)cc1C ZINC001178868890 1126151343 /nfs/dbraw/zinc/15/13/43/1126151343.db2.gz YKUNENCYCGQRNN-QGZVFWFLSA-N 1 0 429.729 4.255 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC001179277071 1126151558 /nfs/dbraw/zinc/15/15/58/1126151558.db2.gz ACRSKSXUGCWFCC-NRFANRHFSA-N 1 0 448.792 4.431 20 0 IIADRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284681 1126153842 /nfs/dbraw/zinc/15/38/42/1126153842.db2.gz KMZVWQSTSIXSST-KDOFPFPSSA-N 1 0 448.279 4.090 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1Br ZINC001202025481 1126156889 /nfs/dbraw/zinc/15/68/89/1126156889.db2.gz WDBQZIBYKCNBPC-OAHLLOKOSA-N 1 0 443.179 4.222 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC001460858340 1126192376 /nfs/dbraw/zinc/19/23/76/1126192376.db2.gz LALCVXSQEKNJJA-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473840194 1126200542 /nfs/dbraw/zinc/20/05/42/1126200542.db2.gz SGOYOUHHMDNTEC-NRFANRHFSA-N 1 0 430.321 4.129 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(Br)cc1Br ZINC001474241229 1126203760 /nfs/dbraw/zinc/20/37/60/1126203760.db2.gz XGMPJLRXXSKOSL-MRXNPFEDSA-N 1 0 448.586 4.343 20 0 IIADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(Br)c1 ZINC001560182238 1126208300 /nfs/dbraw/zinc/20/83/00/1126208300.db2.gz BQBWOEGLEQXIIT-GOSISDBHSA-N 1 0 443.179 4.304 20 0 IIADRO OC[C@@]1([NH2+]Cc2cccc(Br)c2F)CCc2cc(Br)ccc2C1 ZINC001560532382 1126211828 /nfs/dbraw/zinc/21/18/28/1126211828.db2.gz ISMFCXSEBLOHLE-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Br)sc1Br ZINC001621023064 1126244971 /nfs/dbraw/zinc/24/49/71/1126244971.db2.gz VNNXGIMCIXJHBD-MRXNPFEDSA-N 1 0 449.208 4.365 20 0 IIADRO O[C@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925311 563025835 /nfs/dbraw/zinc/02/58/35/563025835.db2.gz ZZHKHRXDQLQSFW-HHHXNRCGSA-N 1 0 430.592 4.014 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CC[C@H]54)c23)c1 ZINC001164412297 718876099 /nfs/dbraw/zinc/87/60/99/718876099.db2.gz VITLMLFNBBAYEV-IAGOWNOFSA-N 1 0 425.627 4.346 20 0 IIADRO [NH3+][C@@]12C[C@@H]1CCN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418852 718896477 /nfs/dbraw/zinc/89/64/77/718896477.db2.gz FPWOQDGGVOXDFN-OYHNWAKOSA-N 1 0 425.627 4.333 20 0 IIADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164423288 718944739 /nfs/dbraw/zinc/94/47/39/718944739.db2.gz GUTTZZLIFMCWGU-RTWAWAEBSA-N 1 0 433.625 4.370 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164423284 718945006 /nfs/dbraw/zinc/94/50/06/718945006.db2.gz GTVLHTGRSBJYQT-SFTDATJTSA-N 1 0 445.636 4.242 20 0 IIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164423747 718946796 /nfs/dbraw/zinc/94/67/96/718946796.db2.gz KFLXGIHUOPUTFE-IFMALSPDSA-N 1 0 441.604 4.496 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)c1 ZINC001164430720 718947287 /nfs/dbraw/zinc/94/72/87/718947287.db2.gz XABOHKPBQNGNHL-GHTZIAJQSA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164619660 719007789 /nfs/dbraw/zinc/00/77/89/719007789.db2.gz WPAMNOOEBWQLOI-HNAYVOBHSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4cccc(Cl)c4)ncn3)CC2)CC1 ZINC001164618613 719032477 /nfs/dbraw/zinc/03/24/77/719032477.db2.gz VUUWROJUYWGTGE-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624469 719047856 /nfs/dbraw/zinc/04/78/56/719047856.db2.gz OBLCTCBLJDNSHW-RLWLMLJZSA-N 1 0 447.652 4.487 20 0 IIADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2n1 ZINC001164621010 719066989 /nfs/dbraw/zinc/06/69/89/719066989.db2.gz GBSNHXGNSHTZMW-KGLIPLIRSA-N 1 0 449.773 4.481 20 0 IIADRO c1ccc(CN2CCc3c(ncnc3N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001164627181 719074062 /nfs/dbraw/zinc/07/40/62/719074062.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 1 0 439.607 4.136 20 0 IIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623553 719076043 /nfs/dbraw/zinc/07/60/43/719076043.db2.gz JSEOWYLFKGMLLG-FUHWJXTLSA-N 1 0 435.902 4.167 20 0 IIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629630 719083619 /nfs/dbraw/zinc/08/36/19/719083619.db2.gz YIJIAFPYLMNHAZ-CTNGQTDRSA-N 1 0 426.992 4.318 20 0 IIADRO COC(=O)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccc2c1OC ZINC001164628789 719104278 /nfs/dbraw/zinc/10/42/78/719104278.db2.gz OGCQOBRHTYKCPP-DENIHFKCSA-N 1 0 431.536 4.131 20 0 IIADRO Cc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628787 719107676 /nfs/dbraw/zinc/10/76/76/719107676.db2.gz OFPUATUUPRARDF-PKTZIBPZSA-N 1 0 427.552 4.138 20 0 IIADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671633 719445777 /nfs/dbraw/zinc/44/57/77/719445777.db2.gz QNIYPCANORLKCE-IRXDYDNUSA-N 1 0 446.523 4.096 20 0 IIADRO Cc1cc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685251 719657296 /nfs/dbraw/zinc/65/72/96/719657296.db2.gz YPWLAAITYWXXSX-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164681425 719662797 /nfs/dbraw/zinc/66/27/97/719662797.db2.gz OJQOFUIIHMNTSG-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO COc1cc2ncc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164694416 719807793 /nfs/dbraw/zinc/80/77/93/719807793.db2.gz XENZRFAQEUVUAJ-UHFFFAOYSA-N 1 0 439.585 4.047 20 0 IIADRO Fc1ccc2c(Cl)nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164706737 719901436 /nfs/dbraw/zinc/90/14/36/719901436.db2.gz KAOAMEQTSIWWQA-UHFFFAOYSA-N 1 0 432.952 4.355 20 0 IIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707484 719909403 /nfs/dbraw/zinc/90/94/03/719909403.db2.gz RFRINPDANRTNLS-KRWDZBQOSA-N 1 0 425.602 4.404 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164713596 720133789 /nfs/dbraw/zinc/13/37/89/720133789.db2.gz SLESWFORRXFEFS-LJQANCHMSA-N 1 0 444.023 4.330 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809698 720134954 /nfs/dbraw/zinc/13/49/54/720134954.db2.gz IGNREWGLIYUVCY-NQIIRXRSSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164711187 720139453 /nfs/dbraw/zinc/13/94/53/720139453.db2.gz FXADYDKBQZMSSN-IBGZPJMESA-N 1 0 439.991 4.427 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164714374 720144953 /nfs/dbraw/zinc/14/49/53/720144953.db2.gz WQIVYVJPLADKQN-FQEVSTJZSA-N 1 0 442.007 4.218 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164712742 720149077 /nfs/dbraw/zinc/14/90/77/720149077.db2.gz OVJWCHOTZATORC-FQEVSTJZSA-N 1 0 437.613 4.211 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817982 720160843 /nfs/dbraw/zinc/16/08/43/720160843.db2.gz QSYVHYAMNAPYOI-QDPGVEIFSA-N 1 0 442.607 4.405 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812402 720170327 /nfs/dbraw/zinc/17/03/27/720170327.db2.gz AKCPOEODLURVAD-DFBJGRDBSA-N 1 0 440.657 4.453 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810302 720198310 /nfs/dbraw/zinc/19/83/10/720198310.db2.gz BRQCBNVJYIMPPI-CYFREDJKSA-N 1 0 442.991 4.415 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810162 720205967 /nfs/dbraw/zinc/20/59/67/720205967.db2.gz ABFBXVHYPXDIRS-GHTZIAJQSA-N 1 0 425.951 4.342 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164726215 720317627 /nfs/dbraw/zinc/31/76/27/720317627.db2.gz YNYHKSRXWWECCQ-GGAORHGYSA-N 1 0 438.620 4.036 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164824729 720328603 /nfs/dbraw/zinc/32/86/03/720328603.db2.gz CWAIGWUSFZNKAP-LEWJYISDSA-N 1 0 426.992 4.108 20 0 IIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732523 720436681 /nfs/dbraw/zinc/43/66/81/720436681.db2.gz NYWCRVKFRGHINX-YGOYIFOWSA-N 1 0 428.584 4.257 20 0 IIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729619 720478760 /nfs/dbraw/zinc/47/87/60/720478760.db2.gz SAIAXVPHNQNLFP-PMACEKPBSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 ZINC001164733413 720529416 /nfs/dbraw/zinc/52/94/16/720529416.db2.gz JNLWPTPINFXCOF-KRWDZBQOSA-N 1 0 436.991 4.070 20 0 IIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727986 720570789 /nfs/dbraw/zinc/57/07/89/720570789.db2.gz GYCSHGVLXQNNIR-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833703 720571645 /nfs/dbraw/zinc/57/16/45/720571645.db2.gz BERXCBYORHOMEK-CNNODRBYSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835596 720592427 /nfs/dbraw/zinc/59/24/27/720592427.db2.gz BPJYVVIZEOEUNP-HLAWJBBLSA-N 1 0 440.592 4.003 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]21 ZINC001164837161 720605714 /nfs/dbraw/zinc/60/57/14/720605714.db2.gz HIJTUKQXIQVSNZ-NWSQWKLXSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]21 ZINC001164840252 720618048 /nfs/dbraw/zinc/61/80/48/720618048.db2.gz PKTHKZPEWFAENY-UWVAXJGDSA-N 1 0 426.515 4.142 20 0 IIADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835938 720621890 /nfs/dbraw/zinc/62/18/90/720621890.db2.gz CWNWXKOUFUMRRD-VDKIKQQVSA-N 1 0 430.600 4.280 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164840538 720697218 /nfs/dbraw/zinc/69/72/18/720697218.db2.gz GFPJRDJMVMVBOR-XMMPIXPASA-N 1 0 444.579 4.316 20 0 IIADRO COc1cccc(-c2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164844840 720702641 /nfs/dbraw/zinc/70/26/41/720702641.db2.gz VKCXRSYUBMIWIF-HSZRJFAPSA-N 1 0 444.579 4.412 20 0 IIADRO CCOC(=O)c1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164836945 720705506 /nfs/dbraw/zinc/70/55/06/720705506.db2.gz BZXFUEIBLLKSOZ-IBGZPJMESA-N 1 0 443.975 4.172 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164845137 720779597 /nfs/dbraw/zinc/77/95/97/720779597.db2.gz FCYUATAEMUHGEE-NDBXHCKUSA-N 1 0 436.600 4.367 20 0 IIADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744021 720827371 /nfs/dbraw/zinc/82/73/71/720827371.db2.gz TZCKKYBOGQVNFV-FUPPJEDESA-N 1 0 449.002 4.373 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745164 720834240 /nfs/dbraw/zinc/83/42/40/720834240.db2.gz MCBAUFLBCJSLRR-WOIUINJBSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751879 720857056 /nfs/dbraw/zinc/85/70/56/720857056.db2.gz RLECFMPIXZAMFX-NJDAHSKKSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1csc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164752264 720869634 /nfs/dbraw/zinc/86/96/34/720869634.db2.gz MJMYNKVBQVDSHG-SQJMNOBHSA-N 1 0 449.624 4.150 20 0 IIADRO Fc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757431 720884244 /nfs/dbraw/zinc/88/42/44/720884244.db2.gz UPSPASUHFVFFGX-AUSIDOKSSA-N 1 0 430.955 4.024 20 0 IIADRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1Cl ZINC001164758452 720885488 /nfs/dbraw/zinc/88/54/88/720885488.db2.gz YEMPDQPOPOXERE-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754368 720892346 /nfs/dbraw/zinc/89/23/46/720892346.db2.gz IOMLDCVJKBGWNU-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164857723 720894975 /nfs/dbraw/zinc/89/49/75/720894975.db2.gz JFOTYRHYWYIFHV-HSZRJFAPSA-N 1 0 433.600 4.156 20 0 IIADRO Cc1cc2ccncc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755157 720926959 /nfs/dbraw/zinc/92/69/59/720926959.db2.gz ZEILMWAETYSFBP-SHQCIBLASA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2C ZINC001164862722 720992781 /nfs/dbraw/zinc/99/27/81/720992781.db2.gz UDXJQBDKIMZOLO-GFCCVEGCSA-N 1 0 433.334 4.032 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2C ZINC001164862724 720994188 /nfs/dbraw/zinc/99/41/88/720994188.db2.gz UDXJQBDKIMZOLO-LBPRGKRZSA-N 1 0 433.334 4.032 20 0 IIADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164760274 721042033 /nfs/dbraw/zinc/04/20/33/721042033.db2.gz CJOHGCIOCZAJDA-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)c(F)cc4C(N)=O)CC3)CC2)cc1 ZINC001164759461 721043449 /nfs/dbraw/zinc/04/34/49/721043449.db2.gz MRMOPLXSPMTJCX-UHFFFAOYSA-N 1 0 430.955 4.164 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761647 721157109 /nfs/dbraw/zinc/15/71/09/721157109.db2.gz ABXQCZPRFOXSDD-ZWKOTPCHSA-N 1 0 431.918 4.125 20 0 IIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881208 721165995 /nfs/dbraw/zinc/16/59/95/721165995.db2.gz ZWGKIRWTLRUICK-GOTSBHOMSA-N 1 0 437.547 4.172 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776585 721338194 /nfs/dbraw/zinc/33/81/94/721338194.db2.gz GQDVQZNAYXBDIU-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164787337 721442253 /nfs/dbraw/zinc/44/22/53/721442253.db2.gz WVEUBPYTLBWXBL-DNQXCXABSA-N 1 0 446.599 4.078 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164790411 721455277 /nfs/dbraw/zinc/45/52/77/721455277.db2.gz YVGWREBHQXRRFL-VWLOTQADSA-N 1 0 435.612 4.483 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164790399 721455353 /nfs/dbraw/zinc/45/53/53/721455353.db2.gz YVGWREBHQXRRFL-RUZDIDTESA-N 1 0 435.612 4.483 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793336 721489293 /nfs/dbraw/zinc/48/92/93/721489293.db2.gz QGVUSYLEHXVRJT-UHFFFAOYSA-N 1 0 428.964 4.188 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901992 721491181 /nfs/dbraw/zinc/49/11/81/721491181.db2.gz XWSVFRHSIXKCHW-JTHBVZDNSA-N 1 0 440.632 4.063 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164792314 721495535 /nfs/dbraw/zinc/49/55/35/721495535.db2.gz OCEMXEXGGAURJJ-UHFFFAOYSA-N 1 0 429.568 4.332 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164795075 721502161 /nfs/dbraw/zinc/50/21/61/721502161.db2.gz CQCSGSODICPIPE-UHFFFAOYSA-N 1 0 444.370 4.003 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164796210 721504559 /nfs/dbraw/zinc/50/45/59/721504559.db2.gz PTJVQSKXOMSYKB-UHFFFAOYSA-N 1 0 437.638 4.207 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@@H+]3C2)c1 ZINC001164899751 721514433 /nfs/dbraw/zinc/51/44/33/721514433.db2.gz MIGLCSNNVRISQJ-DOTOQJQBSA-N 1 0 448.876 4.309 20 0 IIADRO COc1cccc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794552 721525869 /nfs/dbraw/zinc/52/58/69/721525869.db2.gz FSNQFHHNQRSFHK-WXVUKLJWSA-N 1 0 438.959 4.160 20 0 IIADRO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810501 721555240 /nfs/dbraw/zinc/55/52/40/721555240.db2.gz YNJWFHKOGZJWOL-GIWBLDEGSA-N 1 0 438.959 4.160 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164907013 721562749 /nfs/dbraw/zinc/56/27/49/721562749.db2.gz LUZVEFMXSMKNNI-QUCCMNQESA-N 1 0 447.539 4.234 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@@H+]3C2)c1 ZINC001164908031 721566759 /nfs/dbraw/zinc/56/67/59/721566759.db2.gz PGXFYVMDMLLISZ-PKOBYXMFSA-N 1 0 437.893 4.336 20 0 IIADRO FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906246 721701106 /nfs/dbraw/zinc/70/11/06/721701106.db2.gz MPGYUOSLOWPPES-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CSc1nc2c(c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907497 721701611 /nfs/dbraw/zinc/70/16/11/721701611.db2.gz UUIQBSDSMJJKGG-JOCHJYFZSA-N 1 0 445.583 4.210 20 0 IIADRO Fc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909062 721726876 /nfs/dbraw/zinc/72/68/76/721726876.db2.gz ALCULUUBDWEEMW-QHCPKHFHSA-N 1 0 439.485 4.415 20 0 IIADRO CCCSc1ncnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164913112 721737354 /nfs/dbraw/zinc/73/73/54/721737354.db2.gz SZTDITNSLADHGH-OAQYLSRUSA-N 1 0 449.571 4.120 20 0 IIADRO CN(C)c1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc(Cl)n1 ZINC001165015150 721768149 /nfs/dbraw/zinc/76/81/49/721768149.db2.gz MOLOMSZLLHABAQ-UHFFFAOYSA-N 1 0 444.873 4.252 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]21 ZINC001165024517 721801630 /nfs/dbraw/zinc/80/16/30/721801630.db2.gz LNRVCJQFWFHLTR-FVQBIDKESA-N 1 0 442.341 4.460 20 0 IIADRO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccccc2)n1 ZINC001165027318 721802313 /nfs/dbraw/zinc/80/23/13/721802313.db2.gz VLIXZNKCKKUIMZ-GVXSCFBNSA-N 1 0 443.595 4.422 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026926 721802784 /nfs/dbraw/zinc/80/27/84/721802784.db2.gz SNTNFFLMIRRXHC-NUEKZKHPSA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@@H]21 ZINC001165026891 721807350 /nfs/dbraw/zinc/80/73/50/721807350.db2.gz SAQGFJHKBYTNKY-VDZJLULYSA-N 1 0 427.980 4.027 20 0 IIADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165027683 721809651 /nfs/dbraw/zinc/80/96/51/721809651.db2.gz VNDCCGZCHCLAEK-FJIJXJHWSA-N 1 0 430.552 4.153 20 0 IIADRO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165022740 721812817 /nfs/dbraw/zinc/81/28/17/721812817.db2.gz GZNVABMZRVHLJK-HARLFGEKSA-N 1 0 447.583 4.087 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165024229 721815945 /nfs/dbraw/zinc/81/59/45/721815945.db2.gz JZHZQLZFGWOAIM-SZMVWBNQSA-N 1 0 436.934 4.420 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165029755 721825371 /nfs/dbraw/zinc/82/53/71/721825371.db2.gz XPOCCTGRYPRVLN-NGYIFUPDSA-N 1 0 430.552 4.153 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3c(Cl)ccnc32)CC1 ZINC001165022387 721838969 /nfs/dbraw/zinc/83/89/69/721838969.db2.gz RSSOKVHHXVROTE-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CCc1nc(Cl)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165021269 721843937 /nfs/dbraw/zinc/84/39/37/721843937.db2.gz KFBPLLNRFQEKEE-UHFFFAOYSA-N 1 0 439.387 4.464 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921534 721872635 /nfs/dbraw/zinc/87/26/35/721872635.db2.gz DDYVTVSPCLYLKU-MSOLQXFVSA-N 1 0 428.005 4.226 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)CC3)C2)cc1 ZINC001164937615 721920190 /nfs/dbraw/zinc/92/01/90/721920190.db2.gz FHLGIVABSNKDMA-UHFFFAOYSA-N 1 0 446.382 4.445 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4COC5(C)C)CC3)C2)cc1 ZINC001164939772 721923644 /nfs/dbraw/zinc/92/36/44/721923644.db2.gz MYFRUQFSXNWABU-UHFFFAOYSA-N 1 0 442.991 4.075 20 0 IIADRO CCOC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ccc1Cl ZINC001164940743 721929873 /nfs/dbraw/zinc/92/98/73/721929873.db2.gz ZTIICVGTIZRPIJ-UHFFFAOYSA-N 1 0 443.975 4.092 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939627 721930649 /nfs/dbraw/zinc/93/06/49/721930649.db2.gz NIESGSGQMYIULS-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc(C)c4C)CC3)C2)cc1 ZINC001164939094 721932170 /nfs/dbraw/zinc/93/21/70/721932170.db2.gz JAIXLXRCIXBVRX-UHFFFAOYSA-N 1 0 443.595 4.335 20 0 IIADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048775 721973956 /nfs/dbraw/zinc/97/39/56/721973956.db2.gz LAYYCBFHYYHPBV-VSFZPWCASA-N 1 0 442.604 4.097 20 0 IIADRO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164964718 722024021 /nfs/dbraw/zinc/02/40/21/722024021.db2.gz XVCBYTIIBNVRMZ-UHFFFAOYSA-N 1 0 429.568 4.252 20 0 IIADRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164957432 722024050 /nfs/dbraw/zinc/02/40/50/722024050.db2.gz BUZRUUPKYAVGJH-UHFFFAOYSA-N 1 0 434.975 4.388 20 0 IIADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980742 722103497 /nfs/dbraw/zinc/10/34/97/722103497.db2.gz KEWKNWFMTJVSMT-NVXWUHKLSA-N 1 0 443.325 4.056 20 0 IIADRO Fc1ccc2cc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983428 722107798 /nfs/dbraw/zinc/10/77/98/722107798.db2.gz QBJIXJHFQMXCDE-RXVVDRJESA-N 1 0 426.923 4.150 20 0 IIADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976378 722116678 /nfs/dbraw/zinc/11/66/78/722116678.db2.gz LMCAVLOAYCXJFY-UZLBHIALSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978252 722119142 /nfs/dbraw/zinc/11/91/42/722119142.db2.gz OCKSIUAPRXFONV-NQIIRXRSSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971860 722121419 /nfs/dbraw/zinc/12/14/19/722121419.db2.gz CUWIOTYJZTYVGS-HOCLYGCPSA-N 1 0 427.763 4.164 20 0 IIADRO CCCCOc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982262 722135384 /nfs/dbraw/zinc/13/53/84/722135384.db2.gz RLMBEUTZWUNEJP-UGKGYDQZSA-N 1 0 430.980 4.036 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982593 722146162 /nfs/dbraw/zinc/14/61/62/722146162.db2.gz RRJCHVONZCLQQR-UKILVPOCSA-N 1 0 446.620 4.496 20 0 IIADRO Fc1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972223 722152661 /nfs/dbraw/zinc/15/26/61/722152661.db2.gz HCFLDEMFAZUKLF-XMSQKQJNSA-N 1 0 426.923 4.150 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@@H]3COCC)CC2)nc1 ZINC001164991054 722187719 /nfs/dbraw/zinc/18/77/19/722187719.db2.gz NXRHFMXZGIYWRQ-GOTSBHOMSA-N 1 0 442.648 4.120 20 0 IIADRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164998659 722221662 /nfs/dbraw/zinc/22/16/62/722221662.db2.gz LFSMGRQCQIQCAX-VWLOTQADSA-N 1 0 430.596 4.258 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3c(Cl)nccc3c1)CCC2 ZINC001165003360 722257362 /nfs/dbraw/zinc/25/73/62/722257362.db2.gz AGICFQCXIWSSFU-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000604766291 1126100019 /nfs/dbraw/zinc/10/00/19/1126100019.db2.gz YMSFKBHOSWKSEX-MAUKXSAKSA-N 1 0 448.279 4.090 20 0 IIADRO COc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C ZINC000604766863 1126100493 /nfs/dbraw/zinc/10/04/93/1126100493.db2.gz VGTZINOPHWPHCK-HXUWFJFHSA-N 1 0 435.524 4.054 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001179278331 1126152098 /nfs/dbraw/zinc/15/20/98/1126152098.db2.gz UWSVNFRKPRFLCJ-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC001179521315 1126152625 /nfs/dbraw/zinc/15/26/25/1126152625.db2.gz ZDMXKKZLYMIVPH-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001198231266 1126156184 /nfs/dbraw/zinc/15/61/84/1126156184.db2.gz UXGYXZFZHKMMLE-QHCPKHFHSA-N 1 0 444.000 4.369 20 0 IIADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025624 1126156827 /nfs/dbraw/zinc/15/68/27/1126156827.db2.gz XSCWQMKUYWVEET-LPHOPBHVSA-N 1 0 425.392 4.228 20 0 IIADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC001203283039 1126158247 /nfs/dbraw/zinc/15/82/47/1126158247.db2.gz OEPLKGPHIBDEIT-NRFANRHFSA-N 1 0 432.337 4.166 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cc1 ZINC001203581187 1126158843 /nfs/dbraw/zinc/15/88/43/1126158843.db2.gz JOFMFUCEIDSCMS-SFHVURJKSA-N 1 0 448.279 4.440 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001203580084 1126158863 /nfs/dbraw/zinc/15/88/63/1126158863.db2.gz HFJSNESQLUDSFE-DEOSSOPVSA-N 1 0 446.613 4.133 20 0 IIADRO CCc1ccc2c(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc(=O)oc2c1 ZINC001307927608 1126161993 /nfs/dbraw/zinc/16/19/93/1126161993.db2.gz CMXYHAIBBFOPIP-QHCPKHFHSA-N 1 0 442.353 4.128 20 0 IIADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1OC ZINC001308463986 1126165997 /nfs/dbraw/zinc/16/59/97/1126165997.db2.gz JNVVYHLHSAQDJI-FQEVSTJZSA-N 1 0 440.765 4.129 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(F)c1I ZINC001308495233 1126167353 /nfs/dbraw/zinc/16/73/53/1126167353.db2.gz VMWLOGQAACXUJK-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc2)cc1 ZINC001460874016 1126193520 /nfs/dbraw/zinc/19/35/20/1126193520.db2.gz ZYYWOHWHRQOASP-DEOSSOPVSA-N 1 0 427.541 4.050 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998124 1126201192 /nfs/dbraw/zinc/20/11/92/1126201192.db2.gz BHDKYNNWDOYWTF-QAPCUYQASA-N 1 0 437.380 4.260 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC001474113257 1126201684 /nfs/dbraw/zinc/20/16/84/1126201684.db2.gz MOEOAQVXZQPBAV-HXUWFJFHSA-N 1 0 428.374 4.253 20 0 IIADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC001560441169 1126210895 /nfs/dbraw/zinc/21/08/95/1126210895.db2.gz SHTDQVREGJMNHV-INIZCTEOSA-N 1 0 443.179 4.222 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC001560548584 1126212767 /nfs/dbraw/zinc/21/27/67/1126212767.db2.gz TWRDFUFUMIEVHB-JOCHJYFZSA-N 1 0 444.373 4.035 20 0 IIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)c2)cc1 ZINC001621022096 1126244363 /nfs/dbraw/zinc/24/43/63/1126244363.db2.gz JMMMVJLSUXAUIM-AREMUKBSSA-N 1 0 434.536 4.039 20 0 IIADRO O[C@H](COc1ccccc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043018330 563117047 /nfs/dbraw/zinc/11/70/47/563117047.db2.gz CZFBPJXRVVEFJL-INIZCTEOSA-N 1 0 429.866 4.082 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CCC12CC[NH2+]CC2 ZINC001164389782 718814943 /nfs/dbraw/zinc/81/49/43/718814943.db2.gz YYHAITAYIXNYID-HNNXBMFYSA-N 1 0 436.812 4.219 20 0 IIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164388259 718815586 /nfs/dbraw/zinc/81/55/86/718815586.db2.gz NZNAAHPQIQAFMC-ZWKOTPCHSA-N 1 0 444.860 4.435 20 0 IIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164414769 718880849 /nfs/dbraw/zinc/88/08/49/718880849.db2.gz WXSSYCWNMGTFLR-CQSZACIVSA-N 1 0 447.839 4.390 20 0 IIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)n2)CC1 ZINC001164441060 718986109 /nfs/dbraw/zinc/98/61/09/718986109.db2.gz VEZAVMWTCBMEOS-QVDMIQRCSA-N 1 0 425.627 4.045 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164617768 719006796 /nfs/dbraw/zinc/00/67/96/719006796.db2.gz PDQQULGQZBEXTE-IFXJQAMLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164619376 719008914 /nfs/dbraw/zinc/00/89/14/719008914.db2.gz VWLRWXXKWFYCQB-IFXJQAMLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nnc3-c3ccccc3)CC2)CC1 ZINC001164617369 719026710 /nfs/dbraw/zinc/02/67/10/719026710.db2.gz KQJIGRRLAJFQEZ-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc4cc(OC)ccc43)CC2)CC1 ZINC001164616325 719029396 /nfs/dbraw/zinc/02/93/96/719029396.db2.gz ANUMBEHNWIDXMB-UHFFFAOYSA-N 1 0 431.964 4.141 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618790 719047662 /nfs/dbraw/zinc/04/76/62/719047662.db2.gz BQIMKCJLLFWFEX-PGRDOPGGSA-N 1 0 441.913 4.320 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624463 719047870 /nfs/dbraw/zinc/04/78/70/719047870.db2.gz OBLCTCBLJDNSHW-QFQXNSOFSA-N 1 0 447.652 4.487 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625961 719048514 /nfs/dbraw/zinc/04/85/14/719048514.db2.gz QAMHOECOZDHZRT-VGOFRKELSA-N 1 0 441.913 4.320 20 0 IIADRO COC(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627937 719070079 /nfs/dbraw/zinc/07/00/79/719070079.db2.gz RLQGTJHBMUNMMU-QFBILLFUSA-N 1 0 435.902 4.167 20 0 IIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629921 719092030 /nfs/dbraw/zinc/09/20/30/719092030.db2.gz UFUDNYWSOGNYBO-APWZRJJASA-N 1 0 429.902 4.324 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164688153 719599667 /nfs/dbraw/zinc/59/96/67/719599667.db2.gz UPEBTQOPBSYLTH-XUZZJYLKSA-N 1 0 446.599 4.330 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164688151 719600282 /nfs/dbraw/zinc/60/02/82/719600282.db2.gz UPEBTQOPBSYLTH-QPPBQGQZSA-N 1 0 446.599 4.330 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164683185 719612625 /nfs/dbraw/zinc/61/26/25/719612625.db2.gz HQPQIJAGYRWACD-UHFFFAOYSA-N 1 0 448.521 4.247 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681254 719629279 /nfs/dbraw/zinc/62/92/79/719629279.db2.gz FJNJVMHPXYJGBM-UHFFFAOYSA-N 1 0 426.568 4.277 20 0 IIADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164681426 719663072 /nfs/dbraw/zinc/66/30/72/719663072.db2.gz OJQOFUIIHMNTSG-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805913 720089537 /nfs/dbraw/zinc/08/95/37/720089537.db2.gz APZNGFKXVAVDEL-AUUYWEPGSA-N 1 0 442.963 4.074 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164711047 720093484 /nfs/dbraw/zinc/09/34/84/720093484.db2.gz NMIBAKZWQKUYQF-IBGZPJMESA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812224 720100874 /nfs/dbraw/zinc/10/08/74/720100874.db2.gz PYCGODOMVZSTEE-UWJYYQICSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810537 720107199 /nfs/dbraw/zinc/10/71/99/720107199.db2.gz JZHYUEIPEWYLIA-DYESRHJHSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813908 720110216 /nfs/dbraw/zinc/11/02/16/720110216.db2.gz RPIUFLGVZYIMBC-CUNXSJBXSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813362 720128440 /nfs/dbraw/zinc/12/84/40/720128440.db2.gz QHROBNRWEOZTNI-HNAYVOBHSA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164713932 720139255 /nfs/dbraw/zinc/13/92/55/720139255.db2.gz UEWQIMNYTUPTQH-HSZRJFAPSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164711724 720146811 /nfs/dbraw/zinc/14/68/11/720146811.db2.gz ILGSGVSMXZENHN-NRFANRHFSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164711115 720153925 /nfs/dbraw/zinc/15/39/25/720153925.db2.gz FMWULYLRNUBSSH-IBGZPJMESA-N 1 0 429.996 4.156 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817977 720160182 /nfs/dbraw/zinc/16/01/82/720160182.db2.gz QSYVHYAMNAPYOI-LXFBAYGMSA-N 1 0 442.607 4.405 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817980 720160299 /nfs/dbraw/zinc/16/02/99/720160299.db2.gz QSYVHYAMNAPYOI-NEKDWFFYSA-N 1 0 442.607 4.405 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816686 720182232 /nfs/dbraw/zinc/18/22/32/720182232.db2.gz MEEMXTLBMGDLKX-WXVAWEFUSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810304 720198031 /nfs/dbraw/zinc/19/80/31/720198031.db2.gz BRQCBNVJYIMPPI-NTKDMRAZSA-N 1 0 442.991 4.415 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164824731 720329057 /nfs/dbraw/zinc/32/90/57/720329057.db2.gz CWAIGWUSFZNKAP-RTWAWAEBSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001164828335 720350903 /nfs/dbraw/zinc/35/09/03/720350903.db2.gz OGSKXLMGRHGDKI-PMACEKPBSA-N 1 0 447.410 4.453 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 ZINC001164733416 720529949 /nfs/dbraw/zinc/52/99/49/720529949.db2.gz JNLWPTPINFXCOF-QGZVFWFLSA-N 1 0 436.991 4.070 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(-c4cccc(Cl)n4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835819 720546583 /nfs/dbraw/zinc/54/65/83/720546583.db2.gz HYXRTFLQVNMNPO-CNNODRBYSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]21 ZINC001164835192 720585644 /nfs/dbraw/zinc/58/56/44/720585644.db2.gz AOHVHHFHJIMNBM-BZSNNMDCSA-N 1 0 448.949 4.336 20 0 IIADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841532 720640203 /nfs/dbraw/zinc/64/02/03/720640203.db2.gz SPZNOUGBKFWOID-SXWKCWPCSA-N 1 0 434.563 4.165 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC[C@@H]21 ZINC001164841781 720646621 /nfs/dbraw/zinc/64/66/21/720646621.db2.gz QAJDZAQNMFTDKY-IHPCNDPISA-N 1 0 449.977 4.429 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841253 720683035 /nfs/dbraw/zinc/68/30/35/720683035.db2.gz IPOICGXYBPDGTE-QHCPKHFHSA-N 1 0 445.563 4.281 20 0 IIADRO COc1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(C)c2c1 ZINC001164842647 720698066 /nfs/dbraw/zinc/69/80/66/720698066.db2.gz MBAIVLISXSRPNR-NRFANRHFSA-N 1 0 432.568 4.207 20 0 IIADRO CCOC(=O)c1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164836947 720704471 /nfs/dbraw/zinc/70/44/71/720704471.db2.gz BZXFUEIBLLKSOZ-LJQANCHMSA-N 1 0 443.975 4.172 20 0 IIADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccn2)n1 ZINC001164838317 720709830 /nfs/dbraw/zinc/70/98/30/720709830.db2.gz HZEHGFPGGLBRQB-JOCHJYFZSA-N 1 0 429.568 4.107 20 0 IIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739998 720840534 /nfs/dbraw/zinc/84/05/34/720840534.db2.gz BKVSGGKUNIDVQK-JAXLGGSGSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164750709 720884741 /nfs/dbraw/zinc/88/47/41/720884741.db2.gz BPOLQNRFJJAOIG-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO Fc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758129 720887509 /nfs/dbraw/zinc/88/75/09/720887509.db2.gz WZYDWKOCGWSANF-CVDCTZTESA-N 1 0 430.955 4.024 20 0 IIADRO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753743 720934929 /nfs/dbraw/zinc/93/49/29/720934929.db2.gz SLYYTYWSFIQRGP-BVAGGSTKSA-N 1 0 435.616 4.059 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@@H]2C ZINC001164857199 721007743 /nfs/dbraw/zinc/00/77/43/721007743.db2.gz DAASVDXJSXWOCI-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@H]2C ZINC001164857298 721018321 /nfs/dbraw/zinc/01/83/21/721018321.db2.gz CLUMZGNHSUZNDU-KRWDZBQOSA-N 1 0 440.979 4.327 20 0 IIADRO CNC(=O)c1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ccc1Cl ZINC001164760468 721044848 /nfs/dbraw/zinc/04/48/48/721044848.db2.gz VERLXLGCNQBYEA-UHFFFAOYSA-N 1 0 426.992 4.286 20 0 IIADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760557 721045290 /nfs/dbraw/zinc/04/52/90/721045290.db2.gz WCHMURWRZSPWEV-UHFFFAOYSA-N 1 0 439.600 4.056 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764997 721163966 /nfs/dbraw/zinc/16/39/66/721163966.db2.gz HKBOLDKQGITXQO-HZPDHXFCSA-N 1 0 446.382 4.242 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772368 721203617 /nfs/dbraw/zinc/20/36/17/721203617.db2.gz TVVTVAGKOSTONY-QUCCMNQESA-N 1 0 430.581 4.050 20 0 IIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164775341 721300668 /nfs/dbraw/zinc/30/06/68/721300668.db2.gz VXDLSJNDCOPCFK-UHFFFAOYSA-N 1 0 433.625 4.342 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779053 721347579 /nfs/dbraw/zinc/34/75/79/721347579.db2.gz PTARPNJQSQNTRU-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(C[N@@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785055 721444904 /nfs/dbraw/zinc/44/49/04/721444904.db2.gz RLGMVRKJSLQYTB-HYBUGGRVSA-N 1 0 442.629 4.033 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164786868 721458441 /nfs/dbraw/zinc/45/84/41/721458441.db2.gz QCFPNWDTZSBEHE-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164788579 721460793 /nfs/dbraw/zinc/46/07/93/721460793.db2.gz UIQLLKGMDKJFLS-OAQYLSRUSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164785442 721462113 /nfs/dbraw/zinc/46/21/13/721462113.db2.gz LHENETLEGRULAX-NRFANRHFSA-N 1 0 445.007 4.017 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164897008 721474081 /nfs/dbraw/zinc/47/40/81/721474081.db2.gz ZGNUPFQPGOVCGQ-XMMPIXPASA-N 1 0 432.612 4.430 20 0 IIADRO CCOC(=O)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1Cl ZINC001164793784 721490799 /nfs/dbraw/zinc/49/07/99/721490799.db2.gz WGUZFLPVTFTSNW-UHFFFAOYSA-N 1 0 428.964 4.188 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901987 721490843 /nfs/dbraw/zinc/49/08/43/721490843.db2.gz XWSVFRHSIXKCHW-GGAORHGYSA-N 1 0 440.632 4.063 20 0 IIADRO COc1ccccc1-c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796826 721500768 /nfs/dbraw/zinc/50/07/68/721500768.db2.gz ZGTYPGOBMDEWFE-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164898045 721507092 /nfs/dbraw/zinc/50/70/92/721507092.db2.gz HNZDMSLOZPFKIM-QHCPKHFHSA-N 1 0 433.600 4.185 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164807159 721548643 /nfs/dbraw/zinc/54/86/43/721548643.db2.gz PQQJIFPSVQMGLZ-SYYKKAFVSA-N 1 0 444.366 4.200 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906564 721555486 /nfs/dbraw/zinc/55/54/86/721555486.db2.gz KCKUPUHNTLCLOM-CTNGQTDRSA-N 1 0 445.498 4.074 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911874 721556780 /nfs/dbraw/zinc/55/67/80/721556780.db2.gz ZSBQVZRZIJGPES-DOTOQJQBSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@@H+]3C2)c1 ZINC001164910822 721558896 /nfs/dbraw/zinc/55/88/96/721558896.db2.gz XLDZYQMUSARKGQ-PKOBYXMFSA-N 1 0 442.897 4.417 20 0 IIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905623 721587464 /nfs/dbraw/zinc/58/74/64/721587464.db2.gz KGLIZPQLPNQUFB-QHCPKHFHSA-N 1 0 444.526 4.170 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164811310 721587753 /nfs/dbraw/zinc/58/77/53/721587753.db2.gz XFPJRMQJIABWEB-YPAWHYETSA-N 1 0 426.923 4.291 20 0 IIADRO FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906987 721693138 /nfs/dbraw/zinc/69/31/38/721693138.db2.gz QCISOAFUKBEXFU-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907066 721698292 /nfs/dbraw/zinc/69/82/92/721698292.db2.gz QVDWJSYCGPGWPJ-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCc1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905558 721703057 /nfs/dbraw/zinc/70/30/57/721703057.db2.gz JVOIKJUSIOCTJZ-OAQYLSRUSA-N 1 0 429.540 4.386 20 0 IIADRO CCc1c(Cl)nnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1CC ZINC001164908070 721707088 /nfs/dbraw/zinc/70/70/88/721707088.db2.gz UZISBCAGUJKVGF-NRFANRHFSA-N 1 0 435.950 4.388 20 0 IIADRO CSc1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908931 721709637 /nfs/dbraw/zinc/70/96/37/721709637.db2.gz ZORQIYDRRVYPGX-JOCHJYFZSA-N 1 0 441.551 4.484 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164904982 721711074 /nfs/dbraw/zinc/71/10/74/721711074.db2.gz GHELFWFRPJNMOK-HSZRJFAPSA-N 1 0 444.526 4.008 20 0 IIADRO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)nn1 ZINC001164912960 721725242 /nfs/dbraw/zinc/72/52/42/721725242.db2.gz RUTHTZZTEBQCTI-GOSISDBHSA-N 1 0 443.876 4.116 20 0 IIADRO FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913980 721728424 /nfs/dbraw/zinc/72/84/24/721728424.db2.gz ZVUMXDDFNWNISW-XMMPIXPASA-N 1 0 435.522 4.200 20 0 IIADRO FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912881 721735562 /nfs/dbraw/zinc/73/55/62/721735562.db2.gz QVLOGUIFXWBBMV-QHCPKHFHSA-N 1 0 443.542 4.178 20 0 IIADRO FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913545 721738539 /nfs/dbraw/zinc/73/85/39/721738539.db2.gz WXMXRJAAXOZDEJ-HSZRJFAPSA-N 1 0 438.526 4.358 20 0 IIADRO COc1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc(Cl)n1 ZINC001165015607 721768116 /nfs/dbraw/zinc/76/81/16/721768116.db2.gz SLQUVCRIRSOMEH-UHFFFAOYSA-N 1 0 431.830 4.195 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020283 721799944 /nfs/dbraw/zinc/79/99/44/721799944.db2.gz DVAWBTKPPWPBSO-VDGAXYAQSA-N 1 0 428.964 4.044 20 0 IIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027573 721807830 /nfs/dbraw/zinc/80/78/30/721807830.db2.gz WJQSMCRWWSTZIE-YSIASYRMSA-N 1 0 442.991 4.352 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001165025397 721807969 /nfs/dbraw/zinc/80/79/69/721807969.db2.gz NXXTULQXWLMTSR-HLAWJBBLSA-N 1 0 434.975 4.324 20 0 IIADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2n1 ZINC001165025253 721814499 /nfs/dbraw/zinc/81/44/99/721814499.db2.gz MBUWPUSWHYOXNB-HQRMLTQVSA-N 1 0 437.975 4.424 20 0 IIADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165024195 721815023 /nfs/dbraw/zinc/81/50/23/721815023.db2.gz JOPPFYKTCYOXIL-QRFRQXIXSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]21 ZINC001165027787 721815294 /nfs/dbraw/zinc/81/52/94/721815294.db2.gz VXTUILDEQGNKGD-WTIAFYNJSA-N 1 0 440.035 4.463 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]21 ZINC001165025742 721824556 /nfs/dbraw/zinc/82/45/56/721824556.db2.gz NOTOHVMHVDJTJJ-ZAAXVRCTSA-N 1 0 447.961 4.296 20 0 IIADRO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165026114 721825462 /nfs/dbraw/zinc/82/54/62/721825462.db2.gz OFEQIUFAMBTSAY-APTRMMRNSA-N 1 0 429.568 4.284 20 0 IIADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028382 721827535 /nfs/dbraw/zinc/82/75/35/721827535.db2.gz VRLXYVZYFOKASP-ODGPQVTHSA-N 1 0 428.584 4.287 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165029665 721827687 /nfs/dbraw/zinc/82/76/87/721827687.db2.gz XKSOSDHJEIJEFG-XWGVYQGASA-N 1 0 428.584 4.287 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]21 ZINC001165023246 721828089 /nfs/dbraw/zinc/82/80/89/721828089.db2.gz IIXZRWUDIUDSQF-QFZRFWILSA-N 1 0 440.595 4.159 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927441 721864026 /nfs/dbraw/zinc/86/40/26/721864026.db2.gz VRDVCLZTFWRFBP-FCHUYYIVSA-N 1 0 449.002 4.074 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164935324 721890559 /nfs/dbraw/zinc/89/05/59/721890559.db2.gz VLJYPTPNXWXPPT-SFTDATJTSA-N 1 0 434.962 4.470 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164937960 721920112 /nfs/dbraw/zinc/92/01/12/721920112.db2.gz IJCBPOKGRLSBGP-UHFFFAOYSA-N 1 0 443.975 4.092 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(C)cc(Cl)n4)CC3)C2)cc1 ZINC001164937295 721921201 /nfs/dbraw/zinc/92/12/01/721921201.db2.gz BCEUADVEWBHBJB-UHFFFAOYSA-N 1 0 436.934 4.163 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5cccc(F)c5)nn4)CC3)C2)cc1 ZINC001164939403 721931857 /nfs/dbraw/zinc/93/18/57/721931857.db2.gz KIKBMTXCIOJTCQ-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052193 721999479 /nfs/dbraw/zinc/99/94/79/721999479.db2.gz OVIQBYZYVKGXTF-MRXNPFEDSA-N 1 0 440.539 4.216 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1)C1CC1 ZINC001164955840 722021353 /nfs/dbraw/zinc/02/13/53/722021353.db2.gz OSRVXVHHTMZWTG-QHCPKHFHSA-N 1 0 434.584 4.026 20 0 IIADRO Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(Cl)n1 ZINC001164961958 722052407 /nfs/dbraw/zinc/05/24/07/722052407.db2.gz ZVSMPOSXETUQMB-UHFFFAOYSA-N 1 0 436.934 4.102 20 0 IIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985831 722101607 /nfs/dbraw/zinc/10/16/07/722101607.db2.gz XBMFDKXVGUEJHK-WBVHZDCISA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985257 722101676 /nfs/dbraw/zinc/10/16/76/722101676.db2.gz VUCLJFFBPZJSFZ-MAUKXSAKSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982145 722102942 /nfs/dbraw/zinc/10/29/42/722102942.db2.gz MZAZAWIMCPJARV-YJBOKZPZSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982193 722116253 /nfs/dbraw/zinc/11/62/53/722116253.db2.gz WGMLMMVYAUBXFU-WBVHZDCISA-N 1 0 443.325 4.056 20 0 IIADRO Fc1cccc2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977896 722155195 /nfs/dbraw/zinc/15/51/95/722155195.db2.gz ZDWREODKQGXMOG-LAUBAEHRSA-N 1 0 426.923 4.150 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974688 722159142 /nfs/dbraw/zinc/15/91/42/722159142.db2.gz OWUMDDJHXCVMKJ-WZONZLPQSA-N 1 0 438.959 4.019 20 0 IIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995940 722207851 /nfs/dbraw/zinc/20/78/51/722207851.db2.gz QEPMOLQBYVHOHS-RXFWQSSRSA-N 1 0 436.575 4.338 20 0 IIADRO C[N@H+](Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1)C1CC1 ZINC001164998046 722221997 /nfs/dbraw/zinc/22/19/97/722221997.db2.gz GXVWYCHYNLTIEW-VWLOTQADSA-N 1 0 430.596 4.256 20 0 IIADRO COc1ccc(Br)cc1-c1nc(C[NH2+]C2(CO)Cc3ccccc3C2)cs1 ZINC000581283530 1126098446 /nfs/dbraw/zinc/09/84/46/1126098446.db2.gz SFAODFIKBPTAAU-UHFFFAOYSA-N 1 0 445.382 4.201 20 0 IIADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)cc12 ZINC001177829291 1126150665 /nfs/dbraw/zinc/15/06/65/1126150665.db2.gz MTGPMNROBWRQEZ-QGZVFWFLSA-N 1 0 425.964 4.323 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc2C1 ZINC001179278707 1126152080 /nfs/dbraw/zinc/15/20/80/1126152080.db2.gz XYKSXXZILFTPCU-RUZDIDTESA-N 1 0 428.548 4.202 20 0 IIADRO Cc1cc2oc(=O)cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)c2cc1C ZINC001196103694 1126153598 /nfs/dbraw/zinc/15/35/98/1126153598.db2.gz HHDHDRZZJXMLQK-HSZRJFAPSA-N 1 0 442.353 4.182 20 0 IIADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H](CO)Cc2ccccc2C)cc1Br ZINC001202024724 1126156882 /nfs/dbraw/zinc/15/68/82/1126156882.db2.gz FWQCNMZGXKAUOR-QAPCUYQASA-N 1 0 440.353 4.271 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001203284252 1126158643 /nfs/dbraw/zinc/15/86/43/1126158643.db2.gz ZGZLIJBIQPJGPR-SFHVURJKSA-N 1 0 443.179 4.304 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(Br)c2OC(F)F)cc1 ZINC001198219826 1126155076 /nfs/dbraw/zinc/15/50/76/1126155076.db2.gz SRDXGUDOARHSGU-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)sc1Br ZINC001308479460 1126166506 /nfs/dbraw/zinc/16/65/06/1126166506.db2.gz JVWNVVGYGBXNFP-OAHLLOKOSA-N 1 0 437.172 4.496 20 0 IIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001460864406 1126192550 /nfs/dbraw/zinc/19/25/50/1126192550.db2.gz XMAHVUOACPZUQG-QFIPXVFZSA-N 1 0 446.341 4.455 20 0 IIADRO OC[C@@]1([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCN(Cc2ccccc2)C1 ZINC001461204524 1126194074 /nfs/dbraw/zinc/19/40/74/1126194074.db2.gz PUIWIKWJUCWPHU-HSZRJFAPSA-N 1 0 429.536 4.205 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001461706189 1126196431 /nfs/dbraw/zinc/19/64/31/1126196431.db2.gz KYZMLCYGICMLPK-HXUWFJFHSA-N 1 0 434.765 4.372 20 0 IIADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001474208813 1126202531 /nfs/dbraw/zinc/20/25/31/1126202531.db2.gz QRFOKUJBSABOHT-QFIPXVFZSA-N 1 0 444.348 4.092 20 0 IIADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001474208812 1126202611 /nfs/dbraw/zinc/20/26/11/1126202611.db2.gz QRFOKUJBSABOHT-JOCHJYFZSA-N 1 0 444.348 4.092 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001474226308 1126202957 /nfs/dbraw/zinc/20/29/57/1126202957.db2.gz ASGRFGHHWVHZGR-DEOSSOPVSA-N 1 0 428.504 4.101 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(Br)cc1Br ZINC001474241228 1126203758 /nfs/dbraw/zinc/20/37/58/1126203758.db2.gz XGMPJLRXXSKOSL-INIZCTEOSA-N 1 0 448.586 4.343 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001560580365 1126213441 /nfs/dbraw/zinc/21/34/41/1126213441.db2.gz SEGCRGBRQSHYIW-AREMUKBSSA-N 1 0 440.584 4.072 20 0 IIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001620419110 1126240285 /nfs/dbraw/zinc/24/02/85/1126240285.db2.gz OCXFKDNXDNGFQH-OAQYLSRUSA-N 1 0 449.414 4.232 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001621022191 1126244433 /nfs/dbraw/zinc/24/44/33/1126244433.db2.gz MRQVHVFXLYQOQU-SFHVURJKSA-N 1 0 443.179 4.304 20 0 IIADRO OC1(c2ccc(Br)cc2)CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000000757878 562919133 /nfs/dbraw/zinc/91/91/33/562919133.db2.gz COYYISTXBUNJNG-UHFFFAOYSA-N 1 0 443.429 4.440 20 0 IIADRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043080307 563118567 /nfs/dbraw/zinc/11/85/67/563118567.db2.gz DFLZWXVATHYHLB-MRXNPFEDSA-N 1 0 447.856 4.221 20 0 IIADRO C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCCC3)N1CCCC1 ZINC001164386907 718803223 /nfs/dbraw/zinc/80/32/23/718803223.db2.gz HBLUHKLAAZJICC-UHFFFAOYSA-N 1 0 425.646 4.278 20 0 IIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164413124 718882165 /nfs/dbraw/zinc/88/21/65/718882165.db2.gz BRMGIAZHKUDLFY-VIFPVBQESA-N 1 0 441.857 4.024 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)c1 ZINC001164430722 718947818 /nfs/dbraw/zinc/94/78/18/718947818.db2.gz XABOHKPBQNGNHL-RXVVDRJESA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164617392 719007546 /nfs/dbraw/zinc/00/75/46/719007546.db2.gz NVLKDXIRDHDBLC-HNAYVOBHSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccc(Cl)cc4nc3Cl)CC2)CC1 ZINC001164613827 719024677 /nfs/dbraw/zinc/02/46/77/719024677.db2.gz GOJIRSCGHRJQSS-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)CC1 ZINC001164617605 719033318 /nfs/dbraw/zinc/03/33/18/719033318.db2.gz MWXZMSDDDGRLLM-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCC(C3C[NH2+]C3)CC2)c2ccccc21 ZINC001164616777 719036756 /nfs/dbraw/zinc/03/67/56/719036756.db2.gz ZAJHVIDDUQTUSD-UHFFFAOYSA-N 1 0 431.918 4.269 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618787 719047886 /nfs/dbraw/zinc/04/78/86/719047886.db2.gz BQIMKCJLLFWFEX-AVRDEDQJSA-N 1 0 441.913 4.320 20 0 IIADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2n1 ZINC001164621012 719067320 /nfs/dbraw/zinc/06/73/20/719067320.db2.gz GBSNHXGNSHTZMW-ZIAGYGMSSA-N 1 0 449.773 4.481 20 0 IIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627235 719078727 /nfs/dbraw/zinc/07/87/27/719078727.db2.gz PYQLMVHOEAETIY-UNMCSNQZSA-N 1 0 447.583 4.079 20 0 IIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@@H]2CF)CC1 ZINC001164619564 719123752 /nfs/dbraw/zinc/12/37/52/719123752.db2.gz FGZQKJUIXSYLGQ-YJBOKZPZSA-N 1 0 425.882 4.372 20 0 IIADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164665686 719360063 /nfs/dbraw/zinc/36/00/63/719360063.db2.gz YIKSMQQMTJSWNZ-FQEVSTJZSA-N 1 0 441.645 4.172 20 0 IIADRO CC(C)N(C)Cc1nn(-c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164680136 719649554 /nfs/dbraw/zinc/64/95/54/719649554.db2.gz PKNJGXIUMIFCJX-UHFFFAOYSA-N 1 0 449.361 4.261 20 0 IIADRO Cc1cc(C(C)C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685718 719682944 /nfs/dbraw/zinc/68/29/44/719682944.db2.gz LVBGJQOBFPBDEQ-NRFANRHFSA-N 1 0 449.643 4.002 20 0 IIADRO Cc1cc(C(C)C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685725 719683065 /nfs/dbraw/zinc/68/30/65/719683065.db2.gz LVBGJQOBFPBDEQ-OAQYLSRUSA-N 1 0 449.643 4.002 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH]1 ZINC001164699238 719897226 /nfs/dbraw/zinc/89/72/26/719897226.db2.gz XZMGBAUNPAAXSC-UHFFFAOYSA-N 1 0 431.993 4.107 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810539 720107459 /nfs/dbraw/zinc/10/74/59/720107459.db2.gz JZHYUEIPEWYLIA-LAUBAEHRSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164719508 720110395 /nfs/dbraw/zinc/11/03/95/720110395.db2.gz XRBGEUHSAWGPHA-HXUWFJFHSA-N 1 0 437.975 4.186 20 0 IIADRO CCc1cc2c(ncnc2N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)s1 ZINC001164714308 720116222 /nfs/dbraw/zinc/11/62/22/720116222.db2.gz BTLMYPNHDMMCJQ-LJQANCHMSA-N 1 0 437.613 4.156 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164718580 720120043 /nfs/dbraw/zinc/12/00/43/720120043.db2.gz SQAKQTRLVWEJLZ-NRFANRHFSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164711631 720131367 /nfs/dbraw/zinc/13/13/67/720131367.db2.gz HMPLFZHHNABKEE-HSZRJFAPSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809700 720135779 /nfs/dbraw/zinc/13/57/79/720135779.db2.gz IGNREWGLIYUVCY-WIYYLYMNSA-N 1 0 436.934 4.013 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)cc(Cl)n1)CCC2 ZINC001164813534 720222983 /nfs/dbraw/zinc/22/29/83/720222983.db2.gz NRLDONJWJSNBPZ-UHFFFAOYSA-N 1 0 437.975 4.209 20 0 IIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726888 720444014 /nfs/dbraw/zinc/44/40/14/720444014.db2.gz CGFFSTSJMBTVGM-MOPGFXCFSA-N 1 0 425.895 4.310 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]21 ZINC001164836087 720516047 /nfs/dbraw/zinc/51/60/47/720516047.db2.gz MHABQVMOFRYWBP-RRPUWOKSSA-N 1 0 436.991 4.371 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)C1 ZINC001164734627 720530730 /nfs/dbraw/zinc/53/07/30/720530730.db2.gz RJBQUMHGLOLDBF-FQEVSTJZSA-N 1 0 440.551 4.330 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001164733995 720535372 /nfs/dbraw/zinc/53/53/72/720535372.db2.gz FRJQJOCXYFMMCR-AWEZNQCLSA-N 1 0 437.947 4.403 20 0 IIADRO CC(C)(C)N([C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734021 720546435 /nfs/dbraw/zinc/54/64/35/720546435.db2.gz FZHUEOAJEYJYOV-UTKZUKDTSA-N 1 0 448.970 4.441 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nnc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838966 720547126 /nfs/dbraw/zinc/54/71/26/720547126.db2.gz PESZVLUPIAUHDP-QHAWAJNXSA-N 1 0 436.991 4.371 20 0 IIADRO Fc1ccc(-c2nc3ccccc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164736722 720582277 /nfs/dbraw/zinc/58/22/77/720582277.db2.gz RTLCKLKBICSIES-UHFFFAOYSA-N 1 0 442.542 4.291 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@@H]21 ZINC001164835597 720593271 /nfs/dbraw/zinc/59/32/71/720593271.db2.gz BPJYVVIZEOEUNP-JBACZVJFSA-N 1 0 440.592 4.003 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164744979 720594304 /nfs/dbraw/zinc/59/43/04/720594304.db2.gz SWHSCJUOSUIGKW-UHFFFAOYSA-N 1 0 431.918 4.330 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836813 720633864 /nfs/dbraw/zinc/63/38/64/720633864.db2.gz GYHOCEMWAOFMAW-RIFZZMRRSA-N 1 0 444.505 4.281 20 0 IIADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837782 720638660 /nfs/dbraw/zinc/63/86/60/720638660.db2.gz JJGRACVEXXMSGD-YOSAUDMPSA-N 1 0 434.563 4.165 20 0 IIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843300 720672218 /nfs/dbraw/zinc/67/22/18/720672218.db2.gz VYCDBVOGFFYBLK-SFHVURJKSA-N 1 0 436.934 4.243 20 0 IIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164840565 720679192 /nfs/dbraw/zinc/67/91/92/720679192.db2.gz GPLBZMQHALJQHI-SFHVURJKSA-N 1 0 425.964 4.180 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164839859 720718880 /nfs/dbraw/zinc/71/88/80/720718880.db2.gz NVAXWTJXAPHALB-XMMPIXPASA-N 1 0 428.580 4.327 20 0 IIADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744023 720827272 /nfs/dbraw/zinc/82/72/72/720827272.db2.gz TZCKKYBOGQVNFV-MQSCRBSSSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754587 720879351 /nfs/dbraw/zinc/87/93/51/720879351.db2.gz SBQGTOVLJMEMGX-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757909 720889224 /nfs/dbraw/zinc/88/92/24/720889224.db2.gz WJRVPGHMFQTGDQ-XWGVYQGASA-N 1 0 444.982 4.349 20 0 IIADRO c1cc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2s1 ZINC001164751604 720895995 /nfs/dbraw/zinc/89/59/95/720895995.db2.gz COSIGAVQCGOTAQ-WIOPSUGQSA-N 1 0 434.609 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@@H]2C ZINC001164857976 721002065 /nfs/dbraw/zinc/00/20/65/721002065.db2.gz FLZMXCSTUHRZPQ-GOSISDBHSA-N 1 0 427.556 4.310 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763811 721032163 /nfs/dbraw/zinc/03/21/63/721032163.db2.gz LJSUZCCUTWFHMZ-BFLUCZKCSA-N 1 0 436.600 4.368 20 0 IIADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760807 721041819 /nfs/dbraw/zinc/04/18/19/721041819.db2.gz DLCZAEXWEXVHBS-UHFFFAOYSA-N 1 0 442.991 4.498 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)CC2)cc1 ZINC001164760653 721046700 /nfs/dbraw/zinc/04/67/00/721046700.db2.gz ZQQDOXBFEAICKQ-UHFFFAOYSA-N 1 0 437.657 4.221 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771185 721055799 /nfs/dbraw/zinc/05/57/99/721055799.db2.gz LXARDIPFBUQSDI-SGNDLWITSA-N 1 0 433.600 4.102 20 0 IIADRO c1ccc(-c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865378 721083975 /nfs/dbraw/zinc/08/39/75/721083975.db2.gz KQNGVEJGKCDRJY-DHIUTWEWSA-N 1 0 437.547 4.172 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768136 721113386 /nfs/dbraw/zinc/11/33/86/721113386.db2.gz NJLUAEQGXWOLKD-ROUUACIJSA-N 1 0 431.918 4.125 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772227 721113513 /nfs/dbraw/zinc/11/35/13/721113513.db2.gz UNAVBKOTMZRMGA-QZTJIDSGSA-N 1 0 431.918 4.125 20 0 IIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866709 721118290 /nfs/dbraw/zinc/11/82/90/721118290.db2.gz USRJRDLEHSLTKY-ZWKOTPCHSA-N 1 0 444.913 4.308 20 0 IIADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881207 721164207 /nfs/dbraw/zinc/16/42/07/721164207.db2.gz ZWGKIRWTLRUICK-DHIUTWEWSA-N 1 0 437.547 4.172 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764995 721165714 /nfs/dbraw/zinc/16/57/14/721165714.db2.gz HKBOLDKQGITXQO-HOTGVXAUSA-N 1 0 446.382 4.242 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767627 721184208 /nfs/dbraw/zinc/18/42/08/721184208.db2.gz KFYMIQPOUHCFSN-NHCUHLMSSA-N 1 0 437.975 4.006 20 0 IIADRO Fc1ccc(F)c2c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164867864 721190873 /nfs/dbraw/zinc/19/08/73/721190873.db2.gz ITGCIXCODQMQQV-CVEARBPZSA-N 1 0 430.886 4.041 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868856 721194396 /nfs/dbraw/zinc/19/43/96/721194396.db2.gz OGEYTZZPBZCJCY-RBUKOAKNSA-N 1 0 434.918 4.032 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772417 721200841 /nfs/dbraw/zinc/20/08/41/721200841.db2.gz UOBRYPWVTCPSLL-SFTDATJTSA-N 1 0 442.542 4.128 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759445 721249024 /nfs/dbraw/zinc/24/90/24/721249024.db2.gz AJGPTADYBIQKNA-ROUUACIJSA-N 1 0 449.977 4.241 20 0 IIADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772060 721287258 /nfs/dbraw/zinc/28/72/58/721287258.db2.gz DILVULQIVZVBGT-UHFFFAOYSA-N 1 0 429.298 4.283 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776991 721338567 /nfs/dbraw/zinc/33/85/67/721338567.db2.gz JKPGZPSRHQYRQK-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776748 721342039 /nfs/dbraw/zinc/34/20/39/721342039.db2.gz CMDRTQKGXLVTCD-OAQYLSRUSA-N 1 0 447.992 4.069 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777366 721352175 /nfs/dbraw/zinc/35/21/75/721352175.db2.gz GLSYZJWUTKHVIE-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@@H+]3C2)c1 ZINC001164903834 721532439 /nfs/dbraw/zinc/53/24/39/721532439.db2.gz DGTIDJIBRGKHEY-ICSRJNTNSA-N 1 0 429.499 4.106 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164808938 721539931 /nfs/dbraw/zinc/53/99/31/721539931.db2.gz SNJNKXIAODVESJ-IMSXRSKXSA-N 1 0 435.959 4.060 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@@H+]3C2)c1 ZINC001164907137 721541427 /nfs/dbraw/zinc/54/14/27/721541427.db2.gz MGHPCJDWMMWTOT-HKUYNNGSSA-N 1 0 448.876 4.309 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907553 721558981 /nfs/dbraw/zinc/55/89/81/721558981.db2.gz OJLRZHJKLHZGLK-NZQKXSOJSA-N 1 0 434.515 4.023 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164907011 721562564 /nfs/dbraw/zinc/56/25/64/721562564.db2.gz LUZVEFMXSMKNNI-ICSRJNTNSA-N 1 0 447.539 4.234 20 0 IIADRO FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906148 721582579 /nfs/dbraw/zinc/58/25/79/721582579.db2.gz ZDDKLSTWJIYUOK-GOSISDBHSA-N 1 0 428.861 4.413 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164800077 721588845 /nfs/dbraw/zinc/58/88/45/721588845.db2.gz BNZHWPOKHKHLSI-MIZPHKNDSA-N 1 0 426.923 4.291 20 0 IIADRO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907854 721698471 /nfs/dbraw/zinc/69/84/71/721698471.db2.gz VFQANNBRMCEYKC-GOSISDBHSA-N 1 0 443.876 4.116 20 0 IIADRO Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903555 721701903 /nfs/dbraw/zinc/70/19/03/721701903.db2.gz ABSLHCXUDVIXCA-HSZRJFAPSA-N 1 0 439.485 4.415 20 0 IIADRO FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911234 721732041 /nfs/dbraw/zinc/73/20/41/721732041.db2.gz JAUVTWQIRZFRPU-QHCPKHFHSA-N 1 0 437.494 4.402 20 0 IIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027569 721807689 /nfs/dbraw/zinc/80/76/89/721807689.db2.gz WJQSMCRWWSTZIE-IHPCNDPISA-N 1 0 442.991 4.352 20 0 IIADRO COc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c(Cl)nc2c1 ZINC001165026407 721809276 /nfs/dbraw/zinc/80/92/76/721809276.db2.gz PUHAORKUFRTNSS-XWFZLUIHSA-N 1 0 437.975 4.424 20 0 IIADRO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165022736 721812699 /nfs/dbraw/zinc/81/26/99/721812699.db2.gz GZNVABMZRVHLJK-AVCGJXAMSA-N 1 0 447.583 4.087 20 0 IIADRO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165025559 721818455 /nfs/dbraw/zinc/81/84/55/721818455.db2.gz NQAUIQMYJRMOLX-QUURXOELSA-N 1 0 429.568 4.284 20 0 IIADRO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165025563 721818520 /nfs/dbraw/zinc/81/85/20/721818520.db2.gz NQAUIQMYJRMOLX-ZWSUVBHBSA-N 1 0 429.568 4.284 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026813 721819600 /nfs/dbraw/zinc/81/96/00/721819600.db2.gz RMIZSVHYPDFKDM-UHOSZYNNSA-N 1 0 439.995 4.193 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]21 ZINC001165025313 721820172 /nfs/dbraw/zinc/82/01/72/721820172.db2.gz MGLAVWMUJJLESZ-VNQPRFMTSA-N 1 0 439.963 4.096 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]21 ZINC001165018812 721820505 /nfs/dbraw/zinc/82/05/05/721820505.db2.gz ALPQDEDSBSMVTI-FTBPSBKWSA-N 1 0 425.580 4.374 20 0 IIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165025676 721823562 /nfs/dbraw/zinc/82/35/62/721823562.db2.gz NJRPPYPLWAJCGC-GRYUFTJMSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019941 721825411 /nfs/dbraw/zinc/82/54/11/721825411.db2.gz CNXYFBVDEIYCQX-KWOQKUFVSA-N 1 0 429.568 4.284 20 0 IIADRO COc1cc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c(OC)c1 ZINC001165027876 721830033 /nfs/dbraw/zinc/83/00/33/721830033.db2.gz UQFOSRGOPLTSOL-ANJVHQHFSA-N 1 0 432.568 4.384 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]21 ZINC001165026307 721830119 /nfs/dbraw/zinc/83/01/19/721830119.db2.gz OTFQGNWXDBCTER-CZTZKLFOSA-N 1 0 434.975 4.324 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]21 ZINC001165026314 721830143 /nfs/dbraw/zinc/83/01/43/721830143.db2.gz OTFQGNWXDBCTER-SYYKKAFVSA-N 1 0 434.975 4.324 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3ccc(Cl)cc3n2)CC1 ZINC001165021335 721840269 /nfs/dbraw/zinc/84/02/69/721840269.db2.gz LOBFDPLNXSXVFH-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3[nH]c4ccccc4c32)CC1 ZINC001165022016 721841499 /nfs/dbraw/zinc/84/14/99/721841499.db2.gz MQCCANITLFUVBR-UHFFFAOYSA-N 1 0 431.540 4.229 20 0 IIADRO COc1ccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nc(C)c2c1 ZINC001165023266 721841895 /nfs/dbraw/zinc/84/18/95/721841895.db2.gz ZOUWQTBRVGXSMK-UHFFFAOYSA-N 1 0 436.556 4.065 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)[nH]1 ZINC001165021224 721842964 /nfs/dbraw/zinc/84/29/64/721842964.db2.gz IKCWBXYNBNZMID-UHFFFAOYSA-N 1 0 443.979 4.292 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(C)(C)C)nc3[nH]ccc32)CC1 ZINC001165023397 721843099 /nfs/dbraw/zinc/84/30/99/721843099.db2.gz ZPZDRBKQVCDQMN-UHFFFAOYSA-N 1 0 437.588 4.373 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927146 721856304 /nfs/dbraw/zinc/85/63/04/721856304.db2.gz JNZGMEMPSNQWST-FCHUYYIVSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164935905 721885414 /nfs/dbraw/zinc/88/54/14/721885414.db2.gz YGHUBMRPNRVFOM-PMACEKPBSA-N 1 0 438.925 4.301 20 0 IIADRO CCOC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1Cl ZINC001164938390 721922238 /nfs/dbraw/zinc/92/22/38/721922238.db2.gz NBJUTHMORIFHBY-UHFFFAOYSA-N 1 0 443.975 4.092 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc(C)c4C)CC3)C2)cc1 ZINC001164939192 721932797 /nfs/dbraw/zinc/93/27/97/721932797.db2.gz KHCYCILNDCPENZ-UHFFFAOYSA-N 1 0 443.595 4.335 20 0 IIADRO CSc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939788 721933157 /nfs/dbraw/zinc/93/31/57/721933157.db2.gz BDAHZLUQFKVLGL-UHFFFAOYSA-N 1 0 430.643 4.100 20 0 IIADRO CCOc1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164955272 722023110 /nfs/dbraw/zinc/02/31/10/722023110.db2.gz CPCBOHJLQBRGGU-UHFFFAOYSA-N 1 0 429.568 4.430 20 0 IIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984740 722099277 /nfs/dbraw/zinc/09/92/77/722099277.db2.gz UHTQXVFDDFEHOJ-UTKZUKDTSA-N 1 0 426.923 4.150 20 0 IIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984706 722102822 /nfs/dbraw/zinc/10/28/22/722102822.db2.gz UCKWAKQNWWQVLY-CRAIPNDOSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976374 722116309 /nfs/dbraw/zinc/11/63/09/722116309.db2.gz LMCAVLOAYCXJFY-OXQOHEQNSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971859 722121651 /nfs/dbraw/zinc/12/16/51/722121651.db2.gz CUWIOTYJZTYVGS-GOEBONIOSA-N 1 0 427.763 4.164 20 0 IIADRO Clc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983307 722132136 /nfs/dbraw/zinc/13/21/36/722132136.db2.gz TXBGJIIHRRJLDA-HRAATJIYSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983309 722132325 /nfs/dbraw/zinc/13/23/25/722132325.db2.gz TXBGJIIHRRJLDA-IIBYNOLFSA-N 1 0 444.366 4.059 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976087 722144884 /nfs/dbraw/zinc/14/48/84/722144884.db2.gz HAXNIRSPULDYLY-FCHUYYIVSA-N 1 0 449.986 4.228 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972230 722153368 /nfs/dbraw/zinc/15/33/68/722153368.db2.gz HKYFBYDGARBSAI-FFZOFVMBSA-N 1 0 429.996 4.074 20 0 IIADRO COC(=O)c1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997833 722210850 /nfs/dbraw/zinc/21/08/50/722210850.db2.gz SITMCENSTGDOHZ-AREMUKBSSA-N 1 0 449.526 4.414 20 0 IIADRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171949484 1126148618 /nfs/dbraw/zinc/14/86/18/1126148618.db2.gz SPCVQQDXKZBZNG-QHCPKHFHSA-N 1 0 446.385 4.414 20 0 IIADRO OC[C@@]1([NH2+]Cc2cccc(F)c2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949807 1126148941 /nfs/dbraw/zinc/14/89/41/1126148941.db2.gz ZULGIKRGBSWZSW-LJQANCHMSA-N 1 0 430.264 4.199 20 0 IIADRO CCOc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc(Br)c1OC(F)F ZINC001179767776 1126152710 /nfs/dbraw/zinc/15/27/10/1126152710.db2.gz FIPJYXJAQIQOLS-NVXWUHKLSA-N 1 0 428.273 4.197 20 0 IIADRO Cc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)sc1Br ZINC001198220173 1126155283 /nfs/dbraw/zinc/15/52/83/1126155283.db2.gz YWOGQZLGMVEHTD-OAHLLOKOSA-N 1 0 434.197 4.060 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC ZINC001198230454 1126155835 /nfs/dbraw/zinc/15/58/35/1126155835.db2.gz QSPDSJBWROXVBF-AREMUKBSSA-N 1 0 439.552 4.325 20 0 IIADRO COc1sc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1Br ZINC001206855589 1126159673 /nfs/dbraw/zinc/15/96/73/1126159673.db2.gz HPORVHVIHUIHCN-MRXNPFEDSA-N 1 0 449.208 4.365 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001308117411 1126163413 /nfs/dbraw/zinc/16/34/13/1126163413.db2.gz JDCRXPPYVUKNQO-LJQANCHMSA-N 1 0 425.838 4.091 20 0 IIADRO CN(C)C(=O)Sc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001308117861 1126163604 /nfs/dbraw/zinc/16/36/04/1126163604.db2.gz NTYOZYTVRCOTTB-HXUWFJFHSA-N 1 0 437.403 4.306 20 0 IIADRO Cc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(C)cc1I ZINC001308263863 1126164635 /nfs/dbraw/zinc/16/46/35/1126164635.db2.gz HQONXNMBNUZAFG-QGZVFWFLSA-N 1 0 434.321 4.083 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263547 1126164694 /nfs/dbraw/zinc/16/46/94/1126164694.db2.gz DUWLEIBQHMQLHY-UWJYYQICSA-N 1 0 425.447 4.025 20 0 IIADRO COc1ccc(OCc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001308494401 1126167351 /nfs/dbraw/zinc/16/73/51/1126167351.db2.gz JBNXGPURFGFXEI-JOCHJYFZSA-N 1 0 432.973 4.467 20 0 IIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001460864402 1126192705 /nfs/dbraw/zinc/19/27/05/1126192705.db2.gz XMAHVUOACPZUQG-JOCHJYFZSA-N 1 0 446.341 4.455 20 0 IIADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688713 1126191388 /nfs/dbraw/zinc/19/13/88/1126191388.db2.gz FUNRUCSNXZIBOT-IFMALSPDSA-N 1 0 434.433 4.424 20 0 IIADRO OC[C@]1([NH2+]Cc2sccc2Br)CCc2cc(Br)ccc2C1 ZINC001461632052 1126195428 /nfs/dbraw/zinc/19/54/28/1126195428.db2.gz WPTMYZHHKWLNSA-INIZCTEOSA-N 1 0 431.193 4.283 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001474226309 1126203024 /nfs/dbraw/zinc/20/30/24/1126203024.db2.gz ASGRFGHHWVHZGR-XMMPIXPASA-N 1 0 428.504 4.101 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)ccc1OCc1ccncc1 ZINC001560563319 1126213056 /nfs/dbraw/zinc/21/30/56/1126213056.db2.gz CVOTXGQWQZSHMG-XMMPIXPASA-N 1 0 426.944 4.406 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Br)sc1Br ZINC001621023063 1126244942 /nfs/dbraw/zinc/24/49/42/1126244942.db2.gz VNNXGIMCIXJHBD-INIZCTEOSA-N 1 0 449.208 4.365 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(Br)c(F)c2)CCc2cc(Br)ccc2C1 ZINC001621005163 1126244327 /nfs/dbraw/zinc/24/43/27/1126244327.db2.gz VDBWDYLNXLLHBK-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000022770769 527203473 /nfs/dbraw/zinc/20/34/73/527203473.db2.gz JVZNLSSWIORLMU-HSZRJFAPSA-N 1 0 425.548 4.130 20 0 IIADRO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043080310 563118553 /nfs/dbraw/zinc/11/85/53/563118553.db2.gz DFLZWXVATHYHLB-INIZCTEOSA-N 1 0 447.856 4.221 20 0 IIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164413692 718881019 /nfs/dbraw/zinc/88/10/19/718881019.db2.gz KPWFEOLHQSFGLX-CQSZACIVSA-N 1 0 447.839 4.390 20 0 IIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4C[C@@]4([NH3+])C3)n2)CC1 ZINC001164415801 718888366 /nfs/dbraw/zinc/88/83/66/718888366.db2.gz BNLNNAWUACJTMV-IVZQSRNASA-N 1 0 425.627 4.189 20 0 IIADRO Clc1nc2c(c(N3CCCC[C@H]3C3CC[NH2+]CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164420267 718891481 /nfs/dbraw/zinc/89/14/81/718891481.db2.gz TVFFWUPSPVGLMF-QFIPXVFZSA-N 1 0 426.008 4.047 20 0 IIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)cc1 ZINC001164430755 718948292 /nfs/dbraw/zinc/94/82/92/718948292.db2.gz XSZSBZHXGIKQFL-GHTZIAJQSA-N 1 0 442.897 4.426 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC[C@@H]5[NH2+]C[C@@H]54)c23)c1 ZINC001164448274 719000705 /nfs/dbraw/zinc/00/07/05/719000705.db2.gz GRCNPXUUOCNPNJ-IRXDYDNUSA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164614222 719006850 /nfs/dbraw/zinc/00/68/50/719006850.db2.gz DJKNFYQKXVXNJT-KUHUBIRLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164614278 719006999 /nfs/dbraw/zinc/00/69/99/719006999.db2.gz DTYRVNDLVCOGNB-BEFAXECRSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)CC1 ZINC001164618570 719029167 /nfs/dbraw/zinc/02/91/67/719029167.db2.gz YVOKOZVWTJQGFA-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4cc(Cl)ncc4cc3OC)CC2)CC1 ZINC001164618664 719036212 /nfs/dbraw/zinc/03/62/12/719036212.db2.gz XQZJWMZVYYMOPD-UHFFFAOYSA-N 1 0 431.964 4.141 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC2)CC1 ZINC001164617530 719036234 /nfs/dbraw/zinc/03/62/34/719036234.db2.gz LNXDWGOTEYZXST-UHFFFAOYSA-N 1 0 441.950 4.401 20 0 IIADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)C1 ZINC001164615840 719037423 /nfs/dbraw/zinc/03/74/23/719037423.db2.gz PZNNCRSGAJJCMU-KRWDZBQOSA-N 1 0 439.673 4.238 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624450 719047597 /nfs/dbraw/zinc/04/75/97/719047597.db2.gz OBLCTCBLJDNSHW-HFZDXXHNSA-N 1 0 447.652 4.487 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625953 719048477 /nfs/dbraw/zinc/04/84/77/719048477.db2.gz QAMHOECOZDHZRT-HTAPYJJXSA-N 1 0 441.913 4.320 20 0 IIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621036 719078479 /nfs/dbraw/zinc/07/84/79/719078479.db2.gz GLKICGUHCQUPCT-WIYYLYMNSA-N 1 0 436.943 4.171 20 0 IIADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624931 719085172 /nfs/dbraw/zinc/08/51/72/719085172.db2.gz MAFZNTIUGURWFF-GGAORHGYSA-N 1 0 442.542 4.115 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cnc2Cl)c1 ZINC001164621637 719126965 /nfs/dbraw/zinc/12/69/65/719126965.db2.gz NBFVSGPJBGRTPG-KDOFPFPSSA-N 1 0 425.882 4.469 20 0 IIADRO Cc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164679549 719650267 /nfs/dbraw/zinc/65/02/67/719650267.db2.gz GFNYZVFDTMHJCS-UHFFFAOYSA-N 1 0 439.007 4.009 20 0 IIADRO CCc1ccccc1Oc1nc(Cl)ncc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679967 719651655 /nfs/dbraw/zinc/65/16/55/719651655.db2.gz BNILDMCNPOPQET-UHFFFAOYSA-N 1 0 440.979 4.156 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CC2 ZINC001164689814 719738805 /nfs/dbraw/zinc/73/88/05/719738805.db2.gz KCOOBDPZKSANQB-UHFFFAOYSA-N 1 0 449.986 4.131 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cs1 ZINC001164694506 719810160 /nfs/dbraw/zinc/81/01/60/719810160.db2.gz ZECSACDUQCUGHI-UHFFFAOYSA-N 1 0 435.597 4.456 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805914 720089507 /nfs/dbraw/zinc/08/95/07/720089507.db2.gz APZNGFKXVAVDEL-IFXJQAMLSA-N 1 0 442.963 4.074 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164717423 720125114 /nfs/dbraw/zinc/12/51/14/720125114.db2.gz OTSOADYENRFGHB-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164714912 720126402 /nfs/dbraw/zinc/12/64/02/720126402.db2.gz FDXGROYIUTZFQZ-SFHVURJKSA-N 1 0 433.021 4.359 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812970 720156822 /nfs/dbraw/zinc/15/68/22/720156822.db2.gz BCBPBYZMIQOTFY-KCWPFWIISA-N 1 0 449.595 4.028 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811483 720198303 /nfs/dbraw/zinc/19/83/03/720198303.db2.gz IKTAFYUZCJDZSD-HXOBKFHXSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814146 720202208 /nfs/dbraw/zinc/20/22/08/720202208.db2.gz SYQIJZLRJDDRKV-ICSRJNTNSA-N 1 0 425.951 4.040 20 0 IIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164729540 720479503 /nfs/dbraw/zinc/47/95/03/720479503.db2.gz RNQFBVZYBQCOCV-PMACEKPBSA-N 1 0 437.931 4.179 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836089 720516316 /nfs/dbraw/zinc/51/63/16/720516316.db2.gz MHABQVMOFRYWBP-UNWVZKJWSA-N 1 0 436.991 4.371 20 0 IIADRO COc1ccc2c(c1)nc(N1Cc3nccn3C[C@@H](C[NH+](C)C)C1)cc2-c1ccccc1 ZINC001164735478 720524715 /nfs/dbraw/zinc/52/47/15/720524715.db2.gz YMHLXZZFKWTJRM-LJQANCHMSA-N 1 0 427.552 4.305 20 0 IIADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164834380 720526342 /nfs/dbraw/zinc/52/63/42/720526342.db2.gz FTNMDXVAQHPOLA-LZLYRXPVSA-N 1 0 431.009 4.227 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834561 720533660 /nfs/dbraw/zinc/53/36/60/720533660.db2.gz DUSSLJNEDMRFPO-QEEYODRMSA-N 1 0 446.933 4.136 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001164734415 720541585 /nfs/dbraw/zinc/54/15/85/720541585.db2.gz IDISEARXPGTJQR-ZEVJAHDQSA-N 1 0 436.600 4.478 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838480 720545162 /nfs/dbraw/zinc/54/51/62/720545162.db2.gz OAQZBJUYPKVHFG-JTDSTZFVSA-N 1 0 448.949 4.336 20 0 IIADRO Clc1cc(OCc2ccccc2)cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736826 720575420 /nfs/dbraw/zinc/57/54/20/720575420.db2.gz UYWDFLNRARSRBX-UHFFFAOYSA-N 1 0 437.975 4.169 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164840095 720580489 /nfs/dbraw/zinc/58/04/89/720580489.db2.gz OZXRVBWXSAJPFP-HJOGWXRNSA-N 1 0 431.584 4.235 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]21 ZINC001164840743 720588114 /nfs/dbraw/zinc/58/81/14/720588114.db2.gz QOQICCMDPNRFAS-ACRUOGEOSA-N 1 0 449.603 4.003 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837159 720605748 /nfs/dbraw/zinc/60/57/48/720605748.db2.gz HIJTUKQXIQVSNZ-IEIRFRATSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(Cl)nc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844131 720621795 /nfs/dbraw/zinc/62/17/95/720621795.db2.gz YXOWQIAIXHJZRF-QHAWAJNXSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838221 720635621 /nfs/dbraw/zinc/63/56/21/720635621.db2.gz KHDYQRDZZWXYGU-VAMGGRTRSA-N 1 0 431.028 4.211 20 0 IIADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838219 720635699 /nfs/dbraw/zinc/63/56/99/720635699.db2.gz KHDYQRDZZWXYGU-SLFFLAALSA-N 1 0 431.028 4.211 20 0 IIADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837780 720638404 /nfs/dbraw/zinc/63/84/04/720638404.db2.gz JJGRACVEXXMSGD-JXALWOEJSA-N 1 0 434.563 4.165 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]21 ZINC001164842723 720641537 /nfs/dbraw/zinc/64/15/37/720641537.db2.gz VHEXHCRGMJEPEC-FUDKSRODSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838252 720652632 /nfs/dbraw/zinc/65/26/32/720652632.db2.gz GTVHDABGUAEXJG-XGHQBKJUSA-N 1 0 449.977 4.343 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164844231 720657396 /nfs/dbraw/zinc/65/73/96/720657396.db2.gz YUTSXIYLBJTEIC-HXUWFJFHSA-N 1 0 443.975 4.172 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164840378 720659578 /nfs/dbraw/zinc/65/95/78/720659578.db2.gz LYEWSGAGUXHRDO-MRXNPFEDSA-N 1 0 429.927 4.010 20 0 IIADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164841695 720710388 /nfs/dbraw/zinc/71/03/88/720710388.db2.gz VYLBGXIXHVSNKV-SFHVURJKSA-N 1 0 428.964 4.042 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164840334 720721564 /nfs/dbraw/zinc/72/15/64/720721564.db2.gz PMJOAMCNKVCTDP-HSZRJFAPSA-N 1 0 435.616 4.117 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001164842943 720747397 /nfs/dbraw/zinc/74/73/97/720747397.db2.gz GIGSALPUTVJUNS-UHFFFAOYSA-N 1 0 441.000 4.457 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164746869 720830599 /nfs/dbraw/zinc/83/05/99/720830599.db2.gz ZIWLLXHXHDTNNO-OFQRWUPVSA-N 1 0 441.794 4.013 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164746872 720830934 /nfs/dbraw/zinc/83/09/34/720830934.db2.gz ZIWLLXHXHDTNNO-SQWLQELKSA-N 1 0 441.794 4.013 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740038 720837591 /nfs/dbraw/zinc/83/75/91/720837591.db2.gz BQUGPJAVBTZRCF-GREBRCKQSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742961 720841022 /nfs/dbraw/zinc/84/10/22/720841022.db2.gz HOWMMARTIWGPOS-NNMXDRDESA-N 1 0 436.991 4.168 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739437 720841886 /nfs/dbraw/zinc/84/18/86/720841886.db2.gz AFMLNXLFLWZZFY-TUNNFDKTSA-N 1 0 436.991 4.168 20 0 IIADRO Fc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753367 720873244 /nfs/dbraw/zinc/87/32/44/720873244.db2.gz PENRHTGEVUHFQV-WMZHIEFXSA-N 1 0 430.955 4.024 20 0 IIADRO Cc1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754363 720892657 /nfs/dbraw/zinc/89/26/57/720892657.db2.gz IOMLDCVJKBGWNU-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO c1cc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2s1 ZINC001164751600 720895963 /nfs/dbraw/zinc/89/59/63/720895963.db2.gz COSIGAVQCGOTAQ-RDGATRHJSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746477 720909928 /nfs/dbraw/zinc/90/99/28/720909928.db2.gz AVDWYBHLNMDFSQ-BVAGGSTKSA-N 1 0 435.616 4.059 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878944 721159236 /nfs/dbraw/zinc/15/92/36/721159236.db2.gz RAGJHKMQJVXUGX-GOTSBHOMSA-N 1 0 432.593 4.249 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770984 721163056 /nfs/dbraw/zinc/16/30/56/721163056.db2.gz RUDRKUJJFXDVDR-DHIUTWEWSA-N 1 0 438.579 4.297 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771834 721222826 /nfs/dbraw/zinc/22/28/26/721222826.db2.gz RCQJZEBAQPYNLR-PMACEKPBSA-N 1 0 436.991 4.106 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759444 721249827 /nfs/dbraw/zinc/24/98/27/721249827.db2.gz AJGPTADYBIQKNA-QZTJIDSGSA-N 1 0 449.977 4.241 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164769040 721276552 /nfs/dbraw/zinc/27/65/52/721276552.db2.gz NJASUAUICARDJP-PXDATVDWSA-N 1 0 446.599 4.326 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778719 721345361 /nfs/dbraw/zinc/34/53/61/721345361.db2.gz OFBZAVPXBZICCB-OAQYLSRUSA-N 1 0 447.992 4.069 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897890 721446762 /nfs/dbraw/zinc/44/67/62/721446762.db2.gz VBTFDYUNFDFJAL-SBUREZEXSA-N 1 0 449.426 4.307 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897884 721446839 /nfs/dbraw/zinc/44/68/39/721446839.db2.gz VBTFDYUNFDFJAL-HXOBKFHXSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164786394 721456446 /nfs/dbraw/zinc/45/64/46/721456446.db2.gz MJGKBZPNFSJZII-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164788577 721460831 /nfs/dbraw/zinc/46/08/31/721460831.db2.gz UIQLLKGMDKJFLS-NRFANRHFSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc(F)c3n1)CC2 ZINC001164784424 721464089 /nfs/dbraw/zinc/46/40/89/721464089.db2.gz IAEDINOZXQLTKE-NRFANRHFSA-N 1 0 427.564 4.108 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1SC)CC2 ZINC001164783706 721465287 /nfs/dbraw/zinc/46/52/87/721465287.db2.gz FYHMMFPRIRDSFO-IBGZPJMESA-N 1 0 440.053 4.191 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164788036 721468796 /nfs/dbraw/zinc/46/87/96/721468796.db2.gz HRMSNYVQXFCZKU-QHCPKHFHSA-N 1 0 427.564 4.108 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164795268 721503400 /nfs/dbraw/zinc/50/34/00/721503400.db2.gz JBYKWOWAJGUKKI-UHFFFAOYSA-N 1 0 430.556 4.285 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164796522 721525134 /nfs/dbraw/zinc/52/51/34/721525134.db2.gz ZKIMPZFUSZKBEW-SJBKTWHCSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808936 721541336 /nfs/dbraw/zinc/54/13/36/721541336.db2.gz SMPISOXJTQOLAA-XKCSPQBFSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808930 721541702 /nfs/dbraw/zinc/54/17/02/721541702.db2.gz SMPISOXJTQOLAA-KJXAQDMKSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164800668 721541930 /nfs/dbraw/zinc/54/19/30/721541930.db2.gz DCKKEDVAXWNXAQ-KCZVDYSFSA-N 1 0 426.923 4.291 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907554 721558968 /nfs/dbraw/zinc/55/89/68/721558968.db2.gz OJLRZHJKLHZGLK-OFNKIYASSA-N 1 0 434.515 4.023 20 0 IIADRO FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905445 721700740 /nfs/dbraw/zinc/70/07/40/721700740.db2.gz JICYZCWXIVJGPQ-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904928 721703661 /nfs/dbraw/zinc/70/36/61/721703661.db2.gz FRIGONRBYXHNNZ-QHCPKHFHSA-N 1 0 444.526 4.170 20 0 IIADRO FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910575 721735957 /nfs/dbraw/zinc/73/59/57/721735957.db2.gz GLTODQAKQVLDBZ-SFHVURJKSA-N 1 0 444.860 4.292 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]21 ZINC001165027271 721799652 /nfs/dbraw/zinc/79/96/52/721799652.db2.gz VCUZNPFFBSPSOS-YSVLISHTSA-N 1 0 431.371 4.397 20 0 IIADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1Cl ZINC001165022112 721802351 /nfs/dbraw/zinc/80/23/51/721802351.db2.gz HZNZMZWJZPHPBY-LRQRDZAKSA-N 1 0 428.964 4.044 20 0 IIADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027409 721809319 /nfs/dbraw/zinc/80/93/19/721809319.db2.gz URLUUYFVJVKLSH-NKKJXINNSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]21 ZINC001165020688 721813149 /nfs/dbraw/zinc/81/31/49/721813149.db2.gz CLWBFOWWBOVMDU-NQHRYMMQSA-N 1 0 441.579 4.466 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@H]21 ZINC001165027662 721816233 /nfs/dbraw/zinc/81/62/33/721816233.db2.gz VMHQOKFCKXTULV-FTBPSBKWSA-N 1 0 429.568 4.188 20 0 IIADRO COc1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165026401 721816714 /nfs/dbraw/zinc/81/67/14/721816714.db2.gz PTLCXHVNOMOJTJ-RRPUWOKSSA-N 1 0 432.568 4.384 20 0 IIADRO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165023518 721819046 /nfs/dbraw/zinc/81/90/46/721819046.db2.gz HNBAIGILJKNLKY-IEXUWNMDSA-N 1 0 445.567 4.409 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]21 ZINC001165018819 721820301 /nfs/dbraw/zinc/82/03/01/721820301.db2.gz ALPQDEDSBSMVTI-IEZKXTBUSA-N 1 0 425.580 4.374 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001165025311 721820532 /nfs/dbraw/zinc/82/05/32/721820532.db2.gz MGLAVWMUJJLESZ-NUEKZKHPSA-N 1 0 439.963 4.096 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2)C1 ZINC001165027040 721823610 /nfs/dbraw/zinc/82/36/10/721823610.db2.gz RFBUPNQLBANWMX-HECCSYQRSA-N 1 0 447.627 4.086 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165029746 721825351 /nfs/dbraw/zinc/82/53/51/721825351.db2.gz XPOCCTGRYPRVLN-APTRMMRNSA-N 1 0 430.552 4.153 20 0 IIADRO CCc1cc2c(ncnc2N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)s1 ZINC001165019247 721840941 /nfs/dbraw/zinc/84/09/41/721840941.db2.gz BLDSODCOSHQPNZ-UHFFFAOYSA-N 1 0 426.586 4.372 20 0 IIADRO COc1ccc(-c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)cc1 ZINC001165020533 721843453 /nfs/dbraw/zinc/84/34/53/721843453.db2.gz FMNBOUJJQMCUIS-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933020 721885764 /nfs/dbraw/zinc/88/57/64/721885764.db2.gz KVGKIPUPECEKDS-LOSJGSFVSA-N 1 0 429.568 4.151 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)CC3)C2)cc1 ZINC001164939342 721924329 /nfs/dbraw/zinc/92/43/29/721924329.db2.gz JHBXDZWUIQNPHH-UHFFFAOYSA-N 1 0 449.986 4.372 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164940533 721926083 /nfs/dbraw/zinc/92/60/83/721926083.db2.gz SSNIZWDBLOLQOE-UHFFFAOYSA-N 1 0 437.584 4.217 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939673 721931097 /nfs/dbraw/zinc/93/10/97/721931097.db2.gz NZCDZHXLKWCUPZ-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO COc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c(C)nc2c1 ZINC001164938613 721931851 /nfs/dbraw/zinc/93/18/51/721931851.db2.gz ASFRLWVFQGVUDZ-UHFFFAOYSA-N 1 0 432.568 4.127 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5c(nc4Cl)CCCC5)CC3)C2)cc1 ZINC001164939710 721933567 /nfs/dbraw/zinc/93/35/67/721933567.db2.gz AGHNSDRKVKQGDN-UHFFFAOYSA-N 1 0 426.992 4.189 20 0 IIADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165053398 722010693 /nfs/dbraw/zinc/01/06/93/722010693.db2.gz FLOAPGTUAYHKDM-UHFFFAOYSA-N 1 0 431.490 4.335 20 0 IIADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953675 722013305 /nfs/dbraw/zinc/01/33/05/722013305.db2.gz FYCHVRIPTFSAOJ-UHFFFAOYSA-N 1 0 439.963 4.284 20 0 IIADRO Clc1ccc(CN2CCCC2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955884 722018585 /nfs/dbraw/zinc/01/85/85/722018585.db2.gz QYRAISDMDQJGGA-UHFFFAOYSA-N 1 0 426.008 4.218 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164956206 722020656 /nfs/dbraw/zinc/02/06/56/722020656.db2.gz YBJMGKRALYXEIC-UHFFFAOYSA-N 1 0 428.584 4.097 20 0 IIADRO Cc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164962374 722056771 /nfs/dbraw/zinc/05/67/71/722056771.db2.gz DIMKUOILZGWYAA-UHFFFAOYSA-N 1 0 436.934 4.102 20 0 IIADRO Clc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164960003 722057936 /nfs/dbraw/zinc/05/79/36/722057936.db2.gz CJAYLRAYQHFBHQ-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO CCc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961579 722060938 /nfs/dbraw/zinc/06/09/38/722060938.db2.gz MBEAAAGIGKFZPR-UHFFFAOYSA-N 1 0 443.595 4.220 20 0 IIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985260 722101557 /nfs/dbraw/zinc/10/15/57/722101557.db2.gz VUCLJFFBPZJSFZ-YJBOKZPZSA-N 1 0 443.325 4.056 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982465 722128652 /nfs/dbraw/zinc/12/86/52/722128652.db2.gz WPOYLCBGSGVXNY-DENIHFKCSA-N 1 0 437.975 4.022 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995180 722205523 /nfs/dbraw/zinc/20/55/23/722205523.db2.gz LLOKRNOLCYVLTN-JOCHJYFZSA-N 1 0 428.943 4.445 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)cc1 ZINC000466902842 1126093689 /nfs/dbraw/zinc/09/36/89/1126093689.db2.gz KPHKPKMQMLAFTN-JOCHJYFZSA-N 1 0 441.369 4.425 20 0 IIADRO O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507949040 1126095264 /nfs/dbraw/zinc/09/52/64/1126095264.db2.gz FSVHQLCVOCLIFI-ZBFHGGJFSA-N 1 0 436.243 4.377 20 0 IIADRO COc1ccc(-c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)on2)cc1 ZINC001176586139 1126149446 /nfs/dbraw/zinc/14/94/46/1126149446.db2.gz AHBBCBUYYGMJOX-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822932 1126150562 /nfs/dbraw/zinc/15/05/62/1126150562.db2.gz PPXOXEGSUSNUBX-WBVHZDCISA-N 1 0 436.243 4.221 20 0 IIADRO CCOc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1O ZINC001183145743 1126153369 /nfs/dbraw/zinc/15/33/69/1126153369.db2.gz NMVUSAPEMCQIOL-LJQANCHMSA-N 1 0 428.754 4.290 20 0 IIADRO Cc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)sc1Br ZINC001198220172 1126155260 /nfs/dbraw/zinc/15/52/60/1126155260.db2.gz YWOGQZLGMVEHTD-HNNXBMFYSA-N 1 0 434.197 4.060 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(F)c1I ZINC001308495234 1126167327 /nfs/dbraw/zinc/16/73/27/1126167327.db2.gz VMWLOGQAACXUJK-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO OC[C@@]1([NH2+]Cc2cccc(OC(F)(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001460424859 1126191235 /nfs/dbraw/zinc/19/12/35/1126191235.db2.gz UOKZVFCUPDPGCA-GOSISDBHSA-N 1 0 430.264 4.357 20 0 IIADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688723 1126191406 /nfs/dbraw/zinc/19/14/06/1126191406.db2.gz FUNRUCSNXZIBOT-RBBKRZOGSA-N 1 0 434.433 4.424 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC001473839169 1126199654 /nfs/dbraw/zinc/19/96/54/1126199654.db2.gz UJEFUGXUMLOPGC-DEOSSOPVSA-N 1 0 426.944 4.406 20 0 IIADRO CCCOc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001560532624 1126211793 /nfs/dbraw/zinc/21/17/93/1126211793.db2.gz PKPHKKVMZXFYBZ-JOCHJYFZSA-N 1 0 434.374 4.256 20 0 IIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001620624601 1126241792 /nfs/dbraw/zinc/24/17/92/1126241792.db2.gz AKXNVDSUWMTZPL-QFIPXVFZSA-N 1 0 430.957 4.333 20 0 IIADRO CCOC(=O)Nc1ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC001620624697 1126241833 /nfs/dbraw/zinc/24/18/33/1126241833.db2.gz CTFCQBFCNUVVGQ-QHCPKHFHSA-N 1 0 444.915 4.098 20 0 IIADRO OC[C@@]1([NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001620419432 1126240388 /nfs/dbraw/zinc/24/03/88/1126240388.db2.gz XKLNDFMTYUVTJF-OAQYLSRUSA-N 1 0 449.295 4.392 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(F)ccc1Br ZINC001620624374 1126241685 /nfs/dbraw/zinc/24/16/85/1126241685.db2.gz VQTVWVMUAVEBFS-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(SC)cc1OC ZINC001621022156 1126244348 /nfs/dbraw/zinc/24/43/48/1126244348.db2.gz LYLYKLCEMWRDQG-HXUWFJFHSA-N 1 0 440.403 4.272 20 0 IIADRO C[C@H](O)C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474592 556335942 /nfs/dbraw/zinc/33/59/42/556335942.db2.gz XOQVYTZENRBBFW-LBPRGKRZSA-N 1 0 429.152 4.261 20 0 IIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)nc12 ZINC001164387150 718814416 /nfs/dbraw/zinc/81/44/16/718814416.db2.gz DITIQQGUFHBLLP-CQSZACIVSA-N 1 0 438.803 4.478 20 0 IIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCOCC23C[NH2+]C3)cnc1Cl ZINC001164405492 718860658 /nfs/dbraw/zinc/86/06/58/718860658.db2.gz SSHQVTLQXVAJMW-UHFFFAOYSA-N 1 0 433.808 4.144 20 0 IIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164406502 718865836 /nfs/dbraw/zinc/86/58/36/718865836.db2.gz HDPAZYRALMLUKI-YLJYHZDGSA-N 1 0 436.934 4.280 20 0 IIADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413299 718881702 /nfs/dbraw/zinc/88/17/02/718881702.db2.gz GTLIACMYOZPEKV-LBPRGKRZSA-N 1 0 442.816 4.025 20 0 IIADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[C@]4([NH3+])C3)n2)CC1 ZINC001164415802 718888419 /nfs/dbraw/zinc/88/84/19/718888419.db2.gz BNLNNAWUACJTMV-NYHFZMIOSA-N 1 0 425.627 4.189 20 0 IIADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164428877 718947640 /nfs/dbraw/zinc/94/76/40/718947640.db2.gz LLSBVGSVHMPPPG-YLJYHZDGSA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164619374 719008794 /nfs/dbraw/zinc/00/87/94/719008794.db2.gz VWLRWXXKWFYCQB-AUUYWEPGSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(SCc4ccccc4)n3)CC2)CC1 ZINC001164618109 719034060 /nfs/dbraw/zinc/03/40/60/719034060.db2.gz SDKYXVHFEXGIJP-UHFFFAOYSA-N 1 0 440.613 4.013 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618336 719047549 /nfs/dbraw/zinc/04/75/49/719047549.db2.gz AQTROHAOPUJTMJ-XMSQKQJNSA-N 1 0 441.913 4.320 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625957 719048426 /nfs/dbraw/zinc/04/84/26/719048426.db2.gz QAMHOECOZDHZRT-JTSKRJEESA-N 1 0 441.913 4.320 20 0 IIADRO O=C(c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCCC1 ZINC001164629076 719065354 /nfs/dbraw/zinc/06/53/54/719065354.db2.gz VJEJHWKAPLABLB-UNMCSNQZSA-N 1 0 439.003 4.462 20 0 IIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618470 719078077 /nfs/dbraw/zinc/07/80/77/719078077.db2.gz AQBOBJIXIOOIQD-IAGOWNOFSA-N 1 0 447.004 4.129 20 0 IIADRO CCOC(Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OCC ZINC001164619195 719079041 /nfs/dbraw/zinc/07/90/41/719079041.db2.gz CJOHUIMUFLNDCM-PZJWPPBQSA-N 1 0 445.007 4.172 20 0 IIADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627233 719079117 /nfs/dbraw/zinc/07/91/17/719079117.db2.gz PYQLMVHOEAETIY-IRLDBZIGSA-N 1 0 447.583 4.079 20 0 IIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629635 719084209 /nfs/dbraw/zinc/08/42/09/719084209.db2.gz YIJIAFPYLMNHAZ-PZJWPPBQSA-N 1 0 426.992 4.318 20 0 IIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c2ccccc21 ZINC001164624800 719119646 /nfs/dbraw/zinc/11/96/46/719119646.db2.gz WCPSRBUXTJFRMV-CXAGYDPISA-N 1 0 449.908 4.347 20 0 IIADRO Cc1nc2c(cc(-c3nc(N4CC[NH+](CC(C)C)CC4)ncc3F)cc2F)n1C(C)C ZINC001164654640 719333414 /nfs/dbraw/zinc/33/34/14/719333414.db2.gz SQNUHQJOHWATGB-UHFFFAOYSA-N 1 0 428.531 4.439 20 0 IIADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(Cl)cc2)c2c1CC[NH2+]C2 ZINC001164684199 719649514 /nfs/dbraw/zinc/64/95/14/719649514.db2.gz WKXYSULVYBMVPS-UHFFFAOYSA-N 1 0 447.370 4.247 20 0 IIADRO COC(=O)c1cc(Cl)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1C ZINC001164701934 719816297 /nfs/dbraw/zinc/81/62/97/719816297.db2.gz PWFUMIJJYSLAQO-UHFFFAOYSA-N 1 0 434.993 4.230 20 0 IIADRO Clc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164702234 719886006 /nfs/dbraw/zinc/88/60/06/719886006.db2.gz PIKZJHJNBZIJSB-UHFFFAOYSA-N 1 0 438.384 4.198 20 0 IIADRO Clc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)CCCCC2 ZINC001164694877 719891444 /nfs/dbraw/zinc/89/14/44/719891444.db2.gz GLRKPUDJCSLOOI-UHFFFAOYSA-N 1 0 433.021 4.332 20 0 IIADRO Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694597 719892350 /nfs/dbraw/zinc/89/23/50/719892350.db2.gz AOMVZZYEELYSKZ-UHFFFAOYSA-N 1 0 431.911 4.352 20 0 IIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707485 719908944 /nfs/dbraw/zinc/90/89/44/719908944.db2.gz RFRINPDANRTNLS-QGZVFWFLSA-N 1 0 425.602 4.404 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164717496 720106778 /nfs/dbraw/zinc/10/67/78/720106778.db2.gz POOCPHBNWGGPBX-JOCHJYFZSA-N 1 0 445.567 4.171 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164719519 720114959 /nfs/dbraw/zinc/11/49/59/720114959.db2.gz XYTITXGQFOFALX-QHCPKHFHSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811590 720138413 /nfs/dbraw/zinc/13/84/13/720138413.db2.gz MRMSQJYUKKSEDQ-IERDGZPVSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164713524 720144781 /nfs/dbraw/zinc/14/47/81/720144781.db2.gz RGWCZTKLJDIHBX-QHCPKHFHSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817906 720152689 /nfs/dbraw/zinc/15/26/89/720152689.db2.gz QRQXLCIIUYJHAP-DVECYGJZSA-N 1 0 440.613 4.176 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816067 720163345 /nfs/dbraw/zinc/16/33/45/720163345.db2.gz KFNLAQDIPJSTAY-KOSHJBKYSA-N 1 0 426.630 4.063 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813389 720198014 /nfs/dbraw/zinc/19/80/14/720198014.db2.gz PDIFETDXSTXNET-DVECYGJZSA-N 1 0 442.991 4.415 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001164827738 720316966 /nfs/dbraw/zinc/31/69/66/720316966.db2.gz IEFSDRZAXVSGHK-FGZHOGPDSA-N 1 0 439.003 4.314 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832467 720332376 /nfs/dbraw/zinc/33/23/76/720332376.db2.gz UAYQVBRWDSIGSU-NHCUHLMSSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832471 720332813 /nfs/dbraw/zinc/33/28/13/720332813.db2.gz UAYQVBRWDSIGSU-SFTDATJTSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3c(F)ccc(F)c23)CC1 ZINC001164830547 720354742 /nfs/dbraw/zinc/35/47/42/720354742.db2.gz WATFELOQIOUBFS-MSOLQXFVSA-N 1 0 448.945 4.078 20 0 IIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164727111 720437555 /nfs/dbraw/zinc/43/75/55/720437555.db2.gz DBEZNSIQAUOFAP-ZEQRLZLVSA-N 1 0 438.579 4.345 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001164733996 720535639 /nfs/dbraw/zinc/53/56/39/720535639.db2.gz FRJQJOCXYFMMCR-CQSZACIVSA-N 1 0 437.947 4.403 20 0 IIADRO COC(=O)c1ccc2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841069 720684061 /nfs/dbraw/zinc/68/40/61/720684061.db2.gz HMAAZTBFLJVCMK-HSZRJFAPSA-N 1 0 445.563 4.281 20 0 IIADRO COc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(C)c2c1 ZINC001164842648 720697676 /nfs/dbraw/zinc/69/76/76/720697676.db2.gz MBAIVLISXSRPNR-OAQYLSRUSA-N 1 0 432.568 4.207 20 0 IIADRO CCCN(CCC)c1cncc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838307 720702742 /nfs/dbraw/zinc/70/27/42/720702742.db2.gz HYQIMXMTFIDXSM-QHCPKHFHSA-N 1 0 437.632 4.363 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164838214 720705028 /nfs/dbraw/zinc/70/50/28/720705028.db2.gz HPMYAJNBTWRMGL-XMMPIXPASA-N 1 0 444.579 4.316 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164838394 720711468 /nfs/dbraw/zinc/71/14/68/720711468.db2.gz IXOYIGOJMYBUQR-QHCPKHFHSA-N 1 0 444.579 4.412 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164840961 720726291 /nfs/dbraw/zinc/72/62/91/720726291.db2.gz TVSWSZLQYFZSIC-HSZRJFAPSA-N 1 0 436.600 4.306 20 0 IIADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843488 720740422 /nfs/dbraw/zinc/74/04/22/720740422.db2.gz LGGYCTXEEFKFRT-UHFFFAOYSA-N 1 0 432.302 4.062 20 0 IIADRO O=C1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844790 720762326 /nfs/dbraw/zinc/76/23/26/720762326.db2.gz CZAFQADCCDOMMB-CLJLJLNGSA-N 1 0 438.575 4.414 20 0 IIADRO O=C1CC[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844800 720762885 /nfs/dbraw/zinc/76/28/85/720762885.db2.gz CZAFQADCCDOMMB-IZZNHLLZSA-N 1 0 438.575 4.414 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746963 720822052 /nfs/dbraw/zinc/82/20/52/720822052.db2.gz ZRVXTIFFJCJSAE-NNMXDRDESA-N 1 0 436.991 4.168 20 0 IIADRO c1ccc2c(c1)ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751499 720875031 /nfs/dbraw/zinc/87/50/31/720875031.db2.gz KLBWTGGJTNNZAM-SHQCIBLASA-N 1 0 428.580 4.385 20 0 IIADRO Cc1cccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164756833 720885680 /nfs/dbraw/zinc/88/56/80/720885680.db2.gz RHWUEKCQOJPVII-WNCULLNHSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755106 720918708 /nfs/dbraw/zinc/91/87/08/720918708.db2.gz YKEYEUQDBRMFNS-HOFKKMOUSA-N 1 0 449.643 4.233 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@H]2C ZINC001164860716 720970423 /nfs/dbraw/zinc/97/04/23/720970423.db2.gz PPWKNIFQSUKODQ-SFHVURJKSA-N 1 0 447.562 4.237 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@H]2C ZINC001164859661 721001945 /nfs/dbraw/zinc/00/19/45/721001945.db2.gz KYACPZIVWUTOCT-SFHVURJKSA-N 1 0 427.556 4.310 20 0 IIADRO c1cc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cs1 ZINC001164877032 721149423 /nfs/dbraw/zinc/14/94/23/721149423.db2.gz OARNFTGJGGXRFV-SFTDATJTSA-N 1 0 443.576 4.233 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@H+](CC3CC3)C4)c(Cl)nn2)c1 ZINC001164775183 721303329 /nfs/dbraw/zinc/30/33/29/721303329.db2.gz RPYTWFPVVMKYTK-UHFFFAOYSA-N 1 0 434.918 4.273 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccc(C[NH+]4CCCC4)cn2)CCO3)cs1 ZINC001164784754 721444873 /nfs/dbraw/zinc/44/48/73/721444873.db2.gz QOEOBGIYJPDPCO-QPPBQGQZSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164789367 721459177 /nfs/dbraw/zinc/45/91/77/721459177.db2.gz XJIOQYPYKLLUAI-QGZVFWFLSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164785855 721460548 /nfs/dbraw/zinc/46/05/48/721460548.db2.gz OEPJIEPHOHQSDP-QFIPXVFZSA-N 1 0 427.564 4.108 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164782812 721461991 /nfs/dbraw/zinc/46/19/91/721461991.db2.gz CQWCSCMZTACQDV-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164889722 721470180 /nfs/dbraw/zinc/47/01/80/721470180.db2.gz IDZUFTZIMCQUCS-ZJSXRUAMSA-N 1 0 446.599 4.073 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164795596 721503962 /nfs/dbraw/zinc/50/39/62/721503962.db2.gz MJTZZFNJQRVDMF-UHFFFAOYSA-N 1 0 434.975 4.468 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895619 721505353 /nfs/dbraw/zinc/50/53/53/721505353.db2.gz DFWHUHQUVYUYKC-XZOQPEGZSA-N 1 0 433.600 4.056 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164900807 721518719 /nfs/dbraw/zinc/51/87/19/721518719.db2.gz UXVMQEMOBGIORU-FUHWJXTLSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@@H+]3C2)c1 ZINC001164909172 721555081 /nfs/dbraw/zinc/55/50/81/721555081.db2.gz SHJXZPOTTVHNEB-RDJZCZTQSA-N 1 0 438.881 4.033 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164907015 721562455 /nfs/dbraw/zinc/56/24/55/721562455.db2.gz LUZVEFMXSMKNNI-UYAOXDASSA-N 1 0 447.539 4.234 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164805839 721567506 /nfs/dbraw/zinc/56/75/06/721567506.db2.gz PCGKNDJLVYRFKR-GIWBLDEGSA-N 1 0 438.959 4.160 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800191 721581775 /nfs/dbraw/zinc/58/17/75/721581775.db2.gz CKSSDZCCHJXQCV-FUPPJEDESA-N 1 0 449.986 4.369 20 0 IIADRO FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903416 721584123 /nfs/dbraw/zinc/58/41/23/721584123.db2.gz NEOXTPZPMWKXSK-GOSISDBHSA-N 1 0 428.861 4.413 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808326 721588085 /nfs/dbraw/zinc/58/80/85/721588085.db2.gz QOTNQMHMGURCHE-MVJPYGJCSA-N 1 0 429.996 4.215 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799993 721592213 /nfs/dbraw/zinc/59/22/13/721592213.db2.gz BBKZOMKWCABDPK-ZCVJKFOLSA-N 1 0 438.959 4.160 20 0 IIADRO FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905663 721698413 /nfs/dbraw/zinc/69/84/13/721698413.db2.gz KJNDAJPGCMWVLI-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO CSc1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908932 721709201 /nfs/dbraw/zinc/70/92/01/721709201.db2.gz ZORQIYDRRVYPGX-QFIPXVFZSA-N 1 0 441.551 4.484 20 0 IIADRO Fc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909061 721726553 /nfs/dbraw/zinc/72/65/53/721726553.db2.gz ALCULUUBDWEEMW-HSZRJFAPSA-N 1 0 439.485 4.415 20 0 IIADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910576 721728558 /nfs/dbraw/zinc/72/85/58/721728558.db2.gz GMGBVCFJROGOOV-JOCHJYFZSA-N 1 0 425.483 4.178 20 0 IIADRO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914000 721728561 /nfs/dbraw/zinc/72/85/61/721728561.db2.gz ZZBBEHWCKVDXFF-HSZRJFAPSA-N 1 0 439.510 4.080 20 0 IIADRO Cc1ccc(-c2csc3ncnc(N4CCCC45CC[NH+](CC(=O)N(C)C)CC5)c23)cc1 ZINC001165011559 721735790 /nfs/dbraw/zinc/73/57/90/721735790.db2.gz QLIJFXUNTNPPSA-UHFFFAOYSA-N 1 0 449.624 4.190 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]21 ZINC001165025889 721802877 /nfs/dbraw/zinc/80/28/77/721802877.db2.gz PVDKZZKBZVFKHL-BUUDZMLXSA-N 1 0 447.627 4.276 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]21 ZINC001165023386 721804062 /nfs/dbraw/zinc/80/40/62/721804062.db2.gz JSKNBONLKNFBAS-VLCRHTCISA-N 1 0 434.975 4.324 20 0 IIADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027415 721809138 /nfs/dbraw/zinc/80/91/38/721809138.db2.gz URLUUYFVJVKLSH-ZTCOLXNVSA-N 1 0 430.552 4.153 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165025127 721811016 /nfs/dbraw/zinc/81/10/16/721811016.db2.gz LLGNILCOXZUBSE-VDZJLULYSA-N 1 0 436.934 4.420 20 0 IIADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025862 721811556 /nfs/dbraw/zinc/81/15/56/721811556.db2.gz NZBWMGKAFSTSAS-VDGAXYAQSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@@H]21 ZINC001165025275 721819878 /nfs/dbraw/zinc/81/98/78/721819878.db2.gz MBVWMVRKGQMMOT-YFNKSVMNSA-N 1 0 429.568 4.188 20 0 IIADRO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027570 721824289 /nfs/dbraw/zinc/82/42/89/721824289.db2.gz SRKNOAOTXOGLLW-APTRMMRNSA-N 1 0 429.568 4.284 20 0 IIADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001165026344 721827878 /nfs/dbraw/zinc/82/78/78/721827878.db2.gz OWUIBOPKHREHTI-OEOAZWSVSA-N 1 0 430.552 4.153 20 0 IIADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026736 721828938 /nfs/dbraw/zinc/82/89/38/721828938.db2.gz PWXVUKALVNRXNL-HVCNVCAESA-N 1 0 443.595 4.496 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@H]21 ZINC001165024030 721831643 /nfs/dbraw/zinc/83/16/43/721831643.db2.gz JIQALNLZMBOLGU-SAWYMBPVSA-N 1 0 430.531 4.382 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nncc3cc(Cl)ccc32)CC1 ZINC001165020543 721841230 /nfs/dbraw/zinc/84/12/30/721841230.db2.gz FSVVTOWOJLCRBH-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccccn3)nc(C)c2C)CC1 ZINC001165030945 721844388 /nfs/dbraw/zinc/84/43/88/721844388.db2.gz MSRVMTGJSTWJPS-UHFFFAOYSA-N 1 0 447.583 4.273 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164928057 721859802 /nfs/dbraw/zinc/85/98/02/721859802.db2.gz NAYVDDSADKBGNK-MSOLQXFVSA-N 1 0 429.342 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927442 721864104 /nfs/dbraw/zinc/86/41/04/721864104.db2.gz VRDVCLZTFWRFBP-FGZHOGPDSA-N 1 0 449.002 4.074 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164929448 721885337 /nfs/dbraw/zinc/88/53/37/721885337.db2.gz BLCXCXAPKUEOPM-VQTJNVASSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164940526 721924263 /nfs/dbraw/zinc/92/42/63/721924263.db2.gz SOBIENXZIVPUQI-UHFFFAOYSA-N 1 0 425.964 4.100 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939360 721925955 /nfs/dbraw/zinc/92/59/55/721925955.db2.gz JYYVSERBHRLXFL-UHFFFAOYSA-N 1 0 444.579 4.235 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2)cc1 ZINC001164938627 721929049 /nfs/dbraw/zinc/92/90/49/721929049.db2.gz BVFFOQWLIRDMAC-UHFFFAOYSA-N 1 0 444.579 4.235 20 0 IIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)CC4CC[NH+](C)CC4)c23)C1 ZINC001165042679 721937045 /nfs/dbraw/zinc/93/70/45/721937045.db2.gz KGRUQXVTMICXHE-QGZVFWFLSA-N 1 0 427.662 4.190 20 0 IIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165054920 722017105 /nfs/dbraw/zinc/01/71/05/722017105.db2.gz JUPUXPBSNRHXAA-UHFFFAOYSA-N 1 0 430.581 4.130 20 0 IIADRO Clc1ncc(-c2ccccc2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964027 722056263 /nfs/dbraw/zinc/05/62/63/722056263.db2.gz QYOPJAJFLOQUNS-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983488 722102181 /nfs/dbraw/zinc/10/21/81/722102181.db2.gz QLYDYBQAFCQJEH-QAPCUYQASA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980740 722103365 /nfs/dbraw/zinc/10/33/65/722103365.db2.gz KEWKNWFMTJVSMT-DOTOQJQBSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979590 722150336 /nfs/dbraw/zinc/15/03/36/722150336.db2.gz LKSHWVQVKWUBKZ-OXJNMPFZSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cccc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976164 722152840 /nfs/dbraw/zinc/15/28/40/722152840.db2.gz UNBRWQRFWIXNHC-APWZRJJASA-N 1 0 444.366 4.059 20 0 IIADRO O=C(NCc1ccccc1)c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994867 722193791 /nfs/dbraw/zinc/19/37/91/722193791.db2.gz QKKUOBLGFOAALT-MHZLTWQESA-N 1 0 444.554 4.396 20 0 IIADRO CCOC(=O)c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995474 722199272 /nfs/dbraw/zinc/19/92/72/722199272.db2.gz VCIRFIJRTQEFCX-XMMPIXPASA-N 1 0 427.520 4.041 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CCC2 ZINC001165001040 722252522 /nfs/dbraw/zinc/25/25/22/722252522.db2.gz ZOOPZFVVAOCPQY-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)cc1 ZINC000466902843 1126093716 /nfs/dbraw/zinc/09/37/16/1126093716.db2.gz KPHKPKMQMLAFTN-QFIPXVFZSA-N 1 0 441.369 4.425 20 0 IIADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000604766830 1126100518 /nfs/dbraw/zinc/10/05/18/1126100518.db2.gz TVQATMPHINWDOT-MRXNPFEDSA-N 1 0 433.346 4.031 20 0 IIADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078200 1126106982 /nfs/dbraw/zinc/10/69/82/1126106982.db2.gz CGHYFBVMPQHEEQ-PKOBYXMFSA-N 1 0 433.371 4.147 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC)c(SC(F)(F)F)c2)cc1OC ZINC001176596666 1126150110 /nfs/dbraw/zinc/15/01/10/1126150110.db2.gz BYMLKTRZKWQOJB-HXUWFJFHSA-N 1 0 445.503 4.408 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC001179521007 1126152595 /nfs/dbraw/zinc/15/25/95/1126152595.db2.gz UKCQKRXYRJGLAI-AREMUKBSSA-N 1 0 431.536 4.126 20 0 IIADRO CCOc1c(Br)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1Br ZINC001179767675 1126152619 /nfs/dbraw/zinc/15/26/19/1126152619.db2.gz DPRKBMFZXLYZLK-IAGOWNOFSA-N 1 0 441.163 4.358 20 0 IIADRO CN(C)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c2ccccc21 ZINC001196103204 1126153571 /nfs/dbraw/zinc/15/35/71/1126153571.db2.gz AUZFHPZIEJDVET-QHCPKHFHSA-N 1 0 440.385 4.073 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3cc(Br)ccc3o2)cc1OC ZINC001203581788 1126159153 /nfs/dbraw/zinc/15/91/53/1126159153.db2.gz XPOCMZANWWCPKD-NRFANRHFSA-N 1 0 434.330 4.296 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3cc(Br)ccc3o2)cc1OC ZINC001203581789 1126159184 /nfs/dbraw/zinc/15/91/84/1126159184.db2.gz XPOCMZANWWCPKD-OAQYLSRUSA-N 1 0 434.330 4.296 20 0 IIADRO CCOc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1O ZINC001206660397 1126159607 /nfs/dbraw/zinc/15/96/07/1126159607.db2.gz COWZVZUCHKHUCT-FQEVSTJZSA-N 1 0 440.765 4.216 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001308263601 1126164605 /nfs/dbraw/zinc/16/46/05/1126164605.db2.gz FOJFRAALMYQKMK-AWEZNQCLSA-N 1 0 431.359 4.075 20 0 IIADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001474453830 1126204792 /nfs/dbraw/zinc/20/47/92/1126204792.db2.gz WKZHKTWWBDSRQJ-INIZCTEOSA-N 1 0 439.344 4.411 20 0 IIADRO COc1ccccc1-c1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001559997661 1126206992 /nfs/dbraw/zinc/20/69/92/1126206992.db2.gz BIACIIQMQHDCMR-JOCHJYFZSA-N 1 0 443.341 4.122 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001560580366 1126213338 /nfs/dbraw/zinc/21/33/38/1126213338.db2.gz SEGCRGBRQSHYIW-SANMLTNESA-N 1 0 440.584 4.072 20 0 IIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001620624600 1126241796 /nfs/dbraw/zinc/24/17/96/1126241796.db2.gz AKXNVDSUWMTZPL-JOCHJYFZSA-N 1 0 430.957 4.333 20 0 IIADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021993 1126244369 /nfs/dbraw/zinc/24/43/69/1126244369.db2.gz FNCAQLUMOJWXCE-DFBJGRDBSA-N 1 0 446.563 4.060 20 0 IIADRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001621560538 1126246717 /nfs/dbraw/zinc/24/67/17/1126246717.db2.gz QFWBPEAPYNUOEM-WIYYLYMNSA-N 1 0 437.328 4.466 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)c2nc3ccsc3c(Cl)n2)CCC12CC[NH2+]CC2 ZINC001164389645 718814278 /nfs/dbraw/zinc/81/42/78/718814278.db2.gz XINJTFPIUGDJSC-GFCCVEGCSA-N 1 0 426.842 4.400 20 0 IIADRO Clc1ncc2c(c1N1CC3(C1)CCCOC3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164413618 718883018 /nfs/dbraw/zinc/88/30/18/718883018.db2.gz KIPACEBMJODDPS-UHFFFAOYSA-N 1 0 439.987 4.373 20 0 IIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164430757 718948487 /nfs/dbraw/zinc/94/84/87/718948487.db2.gz XSZSBZHXGIKQFL-RXVVDRJESA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(Cl)c(Cl)cc43)CC2)CC1 ZINC001164617552 719029826 /nfs/dbraw/zinc/02/98/26/719029826.db2.gz OIIZAGSBDSVBLY-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)ccc4c(Cl)ncnc43)CC2)CC1 ZINC001164617546 719035231 /nfs/dbraw/zinc/03/52/31/719035231.db2.gz LRDFUQWLLDWQJQ-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO CCOC(Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OCC ZINC001164619197 719078557 /nfs/dbraw/zinc/07/85/57/719078557.db2.gz CJOHUIMUFLNDCM-TZIWHRDSSA-N 1 0 445.007 4.172 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164621656 719127177 /nfs/dbraw/zinc/12/71/77/719127177.db2.gz NBFVSGPJBGRTPG-RDTXWAMCSA-N 1 0 425.882 4.469 20 0 IIADRO CC(C)n1nc(CN(C)C)c2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164648767 719309533 /nfs/dbraw/zinc/30/95/33/719309533.db2.gz REDODDUNEIAWRP-UHFFFAOYSA-N 1 0 444.627 4.042 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164681120 719665585 /nfs/dbraw/zinc/66/55/85/719665585.db2.gz JWXQMSDXMCBUEQ-JOCHJYFZSA-N 1 0 446.639 4.054 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)cs1 ZINC001164692172 719816042 /nfs/dbraw/zinc/81/60/42/719816042.db2.gz MQXOERYOBJEIOE-UHFFFAOYSA-N 1 0 445.596 4.215 20 0 IIADRO Clc1cc(-c2ccncc2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164695712 719888085 /nfs/dbraw/zinc/88/80/85/719888085.db2.gz SBGBSMGHXXTNKH-UHFFFAOYSA-N 1 0 441.988 4.125 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164712111 720095195 /nfs/dbraw/zinc/09/51/95/720095195.db2.gz VOMAZAXPSSWGGT-GOSISDBHSA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164716197 720114378 /nfs/dbraw/zinc/11/43/78/720114378.db2.gz JKNUJIIDOQJVNF-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO CCOc1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719536 720115052 /nfs/dbraw/zinc/11/50/52/720115052.db2.gz YRDKNZYQCJIBQQ-LJQANCHMSA-N 1 0 430.980 4.036 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164713595 720134156 /nfs/dbraw/zinc/13/41/56/720134156.db2.gz SLESWFORRXFEFS-IBGZPJMESA-N 1 0 444.023 4.330 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164711747 720134664 /nfs/dbraw/zinc/13/46/64/720134664.db2.gz JLAYFBWBAZHALG-HXUWFJFHSA-N 1 0 448.615 4.158 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164710384 720144348 /nfs/dbraw/zinc/14/43/48/720144348.db2.gz ANKQWYINMNZQOY-HSZRJFAPSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164710385 720145130 /nfs/dbraw/zinc/14/51/30/720145130.db2.gz ANKQWYINMNZQOY-QHCPKHFHSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164713613 720149002 /nfs/dbraw/zinc/14/90/02/720149002.db2.gz SVVNOBQIDMZDPC-HSZRJFAPSA-N 1 0 447.558 4.185 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816847 720171347 /nfs/dbraw/zinc/17/13/47/720171347.db2.gz NEBNKFQVERWRDY-UZUQRXQVSA-N 1 0 446.954 4.246 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ccc3ccc(Cl)nc31)CCC2 ZINC001164818012 720244008 /nfs/dbraw/zinc/24/40/08/720244008.db2.gz WHRCSZOEDRJLSL-UHFFFAOYSA-N 1 0 446.382 4.349 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001164830775 720317265 /nfs/dbraw/zinc/31/72/65/720317265.db2.gz PVLGNLOUZASBFQ-FGZHOGPDSA-N 1 0 439.003 4.314 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001164827737 720317303 /nfs/dbraw/zinc/31/73/03/720317303.db2.gz IEFSDRZAXVSGHK-FCHUYYIVSA-N 1 0 439.003 4.314 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827274 720329367 /nfs/dbraw/zinc/32/93/67/720329367.db2.gz HIZRTGYPMBYXPT-SJORKVTESA-N 1 0 433.021 4.170 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164829132 720350750 /nfs/dbraw/zinc/35/07/50/720350750.db2.gz QQLCBGMAPBGVBU-VQTJNVASSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3c(F)ccc(F)c23)CC1 ZINC001164830548 720354361 /nfs/dbraw/zinc/35/43/61/720354361.db2.gz WATFELOQIOUBFS-QZTJIDSGSA-N 1 0 448.945 4.078 20 0 IIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730908 720434607 /nfs/dbraw/zinc/43/46/07/720434607.db2.gz JPGBEAHJFGRIRD-UXHICEINSA-N 1 0 436.943 4.313 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001164732116 720514297 /nfs/dbraw/zinc/51/42/97/720514297.db2.gz YPIRUFZJXFYDTM-KRWDZBQOSA-N 1 0 432.959 4.345 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001164734413 720541965 /nfs/dbraw/zinc/54/19/65/720541965.db2.gz IDISEARXPGTJQR-PPJWLVRDSA-N 1 0 436.600 4.478 20 0 IIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164735577 720543312 /nfs/dbraw/zinc/54/33/12/720543312.db2.gz PTBNTHRKQVHVOC-GFCCVEGCSA-N 1 0 430.952 4.406 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]21 ZINC001164840746 720587687 /nfs/dbraw/zinc/58/76/87/720587687.db2.gz QOQICCMDPNRFAS-HKBOAZHASA-N 1 0 449.603 4.003 20 0 IIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736655 720591750 /nfs/dbraw/zinc/59/17/50/720591750.db2.gz QGGWHQGAVBQXIG-UHFFFAOYSA-N 1 0 449.855 4.154 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]21 ZINC001164837163 720604333 /nfs/dbraw/zinc/60/43/33/720604333.db2.gz HIJTUKQXIQVSNZ-RRPUWOKSSA-N 1 0 436.991 4.371 20 0 IIADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835936 720621278 /nfs/dbraw/zinc/62/12/78/720621278.db2.gz CWNWXKOUFUMRRD-JBRSBNLGSA-N 1 0 430.600 4.280 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]21 ZINC001164839510 720621475 /nfs/dbraw/zinc/62/14/75/720621475.db2.gz NVYFTKPSTKUMRV-NHTMILBNSA-N 1 0 449.574 4.374 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164839220 720622472 /nfs/dbraw/zinc/62/24/72/720622472.db2.gz MJSRFKYMCDXAKP-TZBSWOFLSA-N 1 0 446.599 4.117 20 0 IIADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838223 720636496 /nfs/dbraw/zinc/63/64/96/720636496.db2.gz KHDYQRDZZWXYGU-XUVXKRRUSA-N 1 0 431.028 4.211 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]21 ZINC001164842727 720640738 /nfs/dbraw/zinc/64/07/38/720640738.db2.gz VHEXHCRGMJEPEC-GIWBLDEGSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841078 720648167 /nfs/dbraw/zinc/64/81/67/720648167.db2.gz PDJCALFVBGSOHN-YSIASYRMSA-N 1 0 449.977 4.429 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843805 720701952 /nfs/dbraw/zinc/70/19/52/720701952.db2.gz QZBHMIMMKLSIAZ-JOCHJYFZSA-N 1 0 445.563 4.281 20 0 IIADRO CCCN(CCC)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836997 720703607 /nfs/dbraw/zinc/70/36/07/720703607.db2.gz COGYDWJTNFRIFR-QHCPKHFHSA-N 1 0 437.632 4.363 20 0 IIADRO CSc1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001164838657 720739316 /nfs/dbraw/zinc/73/93/16/720739316.db2.gz VPMFNSYMEMJSHC-UHFFFAOYSA-N 1 0 427.952 4.251 20 0 IIADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755786 720874514 /nfs/dbraw/zinc/87/45/14/720874514.db2.gz YXJOMTMRKHSAMX-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@H]2C1 ZINC001164865281 720874667 /nfs/dbraw/zinc/87/46/67/720874667.db2.gz ZOGSAWJQRIRYNF-WIOPSUGQSA-N 1 0 446.595 4.087 20 0 IIADRO Cc1cc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164746528 720917942 /nfs/dbraw/zinc/91/79/42/720917942.db2.gz BKGCAIGYRZFQHI-BKMJKUGQSA-N 1 0 432.568 4.286 20 0 IIADRO CSCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750129 720929230 /nfs/dbraw/zinc/92/92/30/720929230.db2.gz JGDQUCQOGAKVFZ-UKILVPOCSA-N 1 0 438.641 4.095 20 0 IIADRO CCSc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164746536 720930669 /nfs/dbraw/zinc/93/06/69/720930669.db2.gz BLHKVOLJPHPBBN-DHLKQENFSA-N 1 0 438.641 4.344 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@H]2C ZINC001164857030 720953289 /nfs/dbraw/zinc/95/32/89/720953289.db2.gz FRHUSBAOAKKHIG-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@H]2C ZINC001164861777 721014991 /nfs/dbraw/zinc/01/49/91/721014991.db2.gz PIGCNLPYKRLOIJ-INIZCTEOSA-N 1 0 433.585 4.371 20 0 IIADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760577 721045589 /nfs/dbraw/zinc/04/55/89/721045589.db2.gz WUQZGKSJWWMTLL-UHFFFAOYSA-N 1 0 442.991 4.498 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc5c4CN(C)CC5)CC3)CC2)cc1 ZINC001164759957 721046575 /nfs/dbraw/zinc/04/65/75/721046575.db2.gz RWHDJHJQRJXJLY-UHFFFAOYSA-N 1 0 440.035 4.309 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762951 721097933 /nfs/dbraw/zinc/09/79/33/721097933.db2.gz FPFAQDDWHCMJQT-IAGOWNOFSA-N 1 0 436.610 4.112 20 0 IIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867415 721105364 /nfs/dbraw/zinc/10/53/64/721105364.db2.gz YJRGNHQIXDXGND-MOPGFXCFSA-N 1 0 444.913 4.308 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771837 721223209 /nfs/dbraw/zinc/22/32/09/721223209.db2.gz RCQJZEBAQPYNLR-WOJBJXKFSA-N 1 0 436.991 4.106 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777440 721345252 /nfs/dbraw/zinc/34/52/52/721345252.db2.gz HDMXFJYHLUICLL-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778717 721345415 /nfs/dbraw/zinc/34/54/15/721345415.db2.gz OFBZAVPXBZICCB-NRFANRHFSA-N 1 0 447.992 4.069 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779052 721347221 /nfs/dbraw/zinc/34/72/21/721347221.db2.gz PTARPNJQSQNTRU-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777426 721352366 /nfs/dbraw/zinc/35/23/66/721352366.db2.gz GYPUUNPVCXSZOD-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780271 721363440 /nfs/dbraw/zinc/36/34/40/721363440.db2.gz FKVASCMKKAVVSR-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ncccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164784487 721445311 /nfs/dbraw/zinc/44/53/11/721445311.db2.gz QGSPQOKJJBDMPE-URXFXBBRSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164789479 721449389 /nfs/dbraw/zinc/44/93/89/721449389.db2.gz WPNSGXCYRFDPGH-GOSISDBHSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164788529 721464707 /nfs/dbraw/zinc/46/47/07/721464707.db2.gz TVMKYGBUPSWFNG-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898673 721502317 /nfs/dbraw/zinc/50/23/17/721502317.db2.gz SZQSQNLECKKCTH-XZOQPEGZSA-N 1 0 442.648 4.166 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907555 721559297 /nfs/dbraw/zinc/55/92/97/721559297.db2.gz OJLRZHJKLHZGLK-REWPJTCUSA-N 1 0 434.515 4.023 20 0 IIADRO FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906143 721584158 /nfs/dbraw/zinc/58/41/58/721584158.db2.gz YZQPLGBNABIOHS-SFHVURJKSA-N 1 0 428.861 4.413 20 0 IIADRO FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904733 721693511 /nfs/dbraw/zinc/69/35/11/721693511.db2.gz FYOBOSHUVNLDIA-OAQYLSRUSA-N 1 0 433.934 4.142 20 0 IIADRO CCc1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912896 721735262 /nfs/dbraw/zinc/73/52/62/721735262.db2.gz QXDUUNKKTDFIJB-LJQANCHMSA-N 1 0 442.341 4.479 20 0 IIADRO COc1nc(Cl)ncc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015224 721767601 /nfs/dbraw/zinc/76/76/01/721767601.db2.gz OJJSXKMBNCLLFK-UHFFFAOYSA-N 1 0 431.830 4.195 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026925 721802843 /nfs/dbraw/zinc/80/28/43/721802843.db2.gz SNTNFFLMIRRXHC-FVQBIDKESA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]21 ZINC001165018816 721820439 /nfs/dbraw/zinc/82/04/39/721820439.db2.gz ALPQDEDSBSMVTI-GVXSCFBNSA-N 1 0 425.580 4.374 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2)C1 ZINC001165027041 721823360 /nfs/dbraw/zinc/82/33/60/721823360.db2.gz RFBUPNQLBANWMX-OAUWFCSDSA-N 1 0 447.627 4.086 20 0 IIADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2)n1 ZINC001165027513 721827607 /nfs/dbraw/zinc/82/76/07/721827607.db2.gz SMKDVOSMTYMRNV-NNWRFLSQSA-N 1 0 432.572 4.387 20 0 IIADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001165026338 721828145 /nfs/dbraw/zinc/82/81/45/721828145.db2.gz OWUIBOPKHREHTI-ANJVHQHFSA-N 1 0 430.552 4.153 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001165020193 721838911 /nfs/dbraw/zinc/83/89/11/721838911.db2.gz FQTAOGSBGUTHEI-UHFFFAOYSA-N 1 0 441.572 4.155 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3c(Cl)cccc3n2)CC1 ZINC001165020204 721839762 /nfs/dbraw/zinc/83/97/62/721839762.db2.gz FZGZIYPMEWZLQE-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3ccccc3nc2Cl)CC1 ZINC001165020270 721840347 /nfs/dbraw/zinc/84/03/47/721840347.db2.gz HBRGJMDLMXMXSZ-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COC(=O)c1ccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ccc2c1 ZINC001165023409 721840421 /nfs/dbraw/zinc/84/04/21/721840421.db2.gz WNHAQBIRGFAKSB-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164923106 721867758 /nfs/dbraw/zinc/86/77/58/721867758.db2.gz ICXXNIAPMXFOCE-WOJBJXKFSA-N 1 0 436.934 4.041 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927411 721868260 /nfs/dbraw/zinc/86/82/60/721868260.db2.gz UYNUOOGLRWCQDK-VXKWHMMOSA-N 1 0 439.966 4.304 20 0 IIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036478 721913879 /nfs/dbraw/zinc/91/38/79/721913879.db2.gz CWYDTSQRGKZOQN-QGZVFWFLSA-N 1 0 447.938 4.019 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CSCC5)CC3)C2)cc1 ZINC001164939872 721921732 /nfs/dbraw/zinc/92/17/32/721921732.db2.gz ORQVRTUEIWBOTN-UHFFFAOYSA-N 1 0 445.032 4.099 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)cc4N)CC3)C2)cc1 ZINC001164941038 721926578 /nfs/dbraw/zinc/92/65/78/721926578.db2.gz ZHRFVDVCMOLZJP-UHFFFAOYSA-N 1 0 436.934 4.042 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5ccc(F)cc5)ncn4)CC3)C2)cc1 ZINC001164939025 721931456 /nfs/dbraw/zinc/93/14/56/721931456.db2.gz HIGVEXBYBXKPIA-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5ccncc5)nc(C)n4)CC3)C2)cc1 ZINC001164938995 721931675 /nfs/dbraw/zinc/93/16/75/721931675.db2.gz GKFRCYFCOIQQPN-UHFFFAOYSA-N 1 0 429.568 4.027 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164949892 721968004 /nfs/dbraw/zinc/96/80/04/721968004.db2.gz ZGSMRXCGKMNFNP-OBDYRVMHSA-N 1 0 432.612 4.397 20 0 IIADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955479 722018873 /nfs/dbraw/zinc/01/88/73/722018873.db2.gz IVEMDKIDBGFBQU-UHFFFAOYSA-N 1 0 442.007 4.151 20 0 IIADRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1-c1ccccc1F ZINC001164965213 722062012 /nfs/dbraw/zinc/06/20/12/722062012.db2.gz JLYJZBLOJAXHMP-UHFFFAOYSA-N 1 0 447.558 4.105 20 0 IIADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980746 722103593 /nfs/dbraw/zinc/10/35/93/722103593.db2.gz KEWKNWFMTJVSMT-WBVHZDCISA-N 1 0 443.325 4.056 20 0 IIADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971237 722158780 /nfs/dbraw/zinc/15/87/80/722158780.db2.gz BDWXJBXRMUBYQZ-UYAOXDASSA-N 1 0 426.923 4.150 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@H]3COCC)CC2)nc1 ZINC001164991052 722187754 /nfs/dbraw/zinc/18/77/54/722187754.db2.gz NXRHFMXZGIYWRQ-DHIUTWEWSA-N 1 0 442.648 4.120 20 0 IIADRO CCOC(=O)c1ccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994004 722199484 /nfs/dbraw/zinc/19/94/84/722199484.db2.gz CIHANXKUIKUEAW-VWLOTQADSA-N 1 0 434.515 4.191 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164995972 722207834 /nfs/dbraw/zinc/20/78/34/722207834.db2.gz QSFMLDHBOWRCSP-SANMLTNESA-N 1 0 436.575 4.338 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995939 722207863 /nfs/dbraw/zinc/20/78/63/722207863.db2.gz QEPMOLQBYVHOHS-IBVKSMDESA-N 1 0 436.575 4.338 20 0 IIADRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164997954 722222045 /nfs/dbraw/zinc/22/20/45/722222045.db2.gz FCXVVWHYQUVKTD-DEOSSOPVSA-N 1 0 430.596 4.258 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999084 722227684 /nfs/dbraw/zinc/22/76/84/722227684.db2.gz IBJRBWAIVWSRAV-FGZHOGPDSA-N 1 0 438.620 4.233 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(SCc3ccccc3)ccn1)CCC2 ZINC001165003470 722257021 /nfs/dbraw/zinc/25/70/21/722257021.db2.gz DROWWLWYBZKGPI-UHFFFAOYSA-N 1 0 437.613 4.059 20 0 IIADRO O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605198 1126095325 /nfs/dbraw/zinc/09/53/25/1126095325.db2.gz RWKJSVNVYZPHAF-VQTJNVASSA-N 1 0 439.428 4.277 20 0 IIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1 ZINC000522536369 1126095925 /nfs/dbraw/zinc/09/59/25/1126095925.db2.gz NSCXYPPVMVIOKU-JOCHJYFZSA-N 1 0 429.520 4.122 20 0 IIADRO COc1cc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000604766290 1126100113 /nfs/dbraw/zinc/10/01/13/1126100113.db2.gz YMSFKBHOSWKSEX-CRAIPNDOSA-N 1 0 448.279 4.090 20 0 IIADRO Cc1cc(Br)cn2c(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cnc12 ZINC000680121403 1126105594 /nfs/dbraw/zinc/10/55/94/1126105594.db2.gz VLONDYFZJZNPAG-IAGOWNOFSA-N 1 0 442.279 4.029 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867467 1126151294 /nfs/dbraw/zinc/15/12/94/1126151294.db2.gz GZPBMSZHLBQNDQ-VXKWHMMOSA-N 1 0 442.600 4.148 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1C ZINC001178868806 1126151368 /nfs/dbraw/zinc/15/13/68/1126151368.db2.gz WAQZUGPZWZQXOK-AREMUKBSSA-N 1 0 426.564 4.303 20 0 IIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC001178615105 1126151380 /nfs/dbraw/zinc/15/13/80/1126151380.db2.gz RBCNJHHIMOCSDZ-VWLOTQADSA-N 1 0 445.538 4.439 20 0 IIADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277628 1126151710 /nfs/dbraw/zinc/15/17/10/1126151710.db2.gz KJRCFCIMLPNJQC-CLOONOSVSA-N 1 0 446.563 4.060 20 0 IIADRO CC1(C)OCc2cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)ccc2O1 ZINC001182881222 1126153140 /nfs/dbraw/zinc/15/31/40/1126153140.db2.gz KZGQWZWKEPKQRQ-QFIPXVFZSA-N 1 0 432.358 4.104 20 0 IIADRO COc1cc(Cl)c(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001308480526 1126167338 /nfs/dbraw/zinc/16/73/38/1126167338.db2.gz ZQOFDIWKWARSEW-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(F)cc1I ZINC001308494103 1126167359 /nfs/dbraw/zinc/16/73/59/1126167359.db2.gz FRNTYJLOZUCNPU-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO OC[C@@]1([NH2+]Cc2c(F)cccc2Br)CCc2cc(Br)ccc2C1 ZINC001473641983 1126198373 /nfs/dbraw/zinc/19/83/73/1126198373.db2.gz YSTQNYDNFYECAS-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC ZINC001474257268 1126203855 /nfs/dbraw/zinc/20/38/55/1126203855.db2.gz FEKVPLLPWMCHTI-XMMPIXPASA-N 1 0 430.545 4.134 20 0 IIADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(I)cc1Cl ZINC001560182327 1126208305 /nfs/dbraw/zinc/20/83/05/1126208305.db2.gz BVKMSIKCPLWJCZ-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@](C)(CO)Cc3ccccc3F)cccc2C1 ZINC001560183343 1126209053 /nfs/dbraw/zinc/20/90/53/1126209053.db2.gz MWCCCAYCENNYAZ-VWLOTQADSA-N 1 0 428.548 4.202 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(I)cc1Cl ZINC001560183328 1126209121 /nfs/dbraw/zinc/20/91/21/1126209121.db2.gz MMXKIKMBOCLMMA-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO COc1ccccc1-c1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001559997662 1126207099 /nfs/dbraw/zinc/20/70/99/1126207099.db2.gz BIACIIQMQHDCMR-QFIPXVFZSA-N 1 0 443.341 4.122 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001560548150 1126211954 /nfs/dbraw/zinc/21/19/54/1126211954.db2.gz CUXYFUUUTNHKGC-NRFANRHFSA-N 1 0 428.330 4.115 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)ccc1OC(F)F ZINC001560548307 1126212265 /nfs/dbraw/zinc/21/22/65/1126212265.db2.gz JVYBEMBHZWOWLZ-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001621022422 1126244543 /nfs/dbraw/zinc/24/45/43/1126244543.db2.gz WMITXRZRTLXLKX-SFHVURJKSA-N 1 0 448.279 4.440 20 0 IIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(CC([NH3+])C3)CC2)cc1 ZINC001164386623 718801940 /nfs/dbraw/zinc/80/19/40/718801940.db2.gz AXCGLPJSSPURMZ-UHFFFAOYSA-N 1 0 435.902 4.441 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CCC12CC[NH2+]CC2 ZINC001164389783 718815067 /nfs/dbraw/zinc/81/50/67/718815067.db2.gz YYHAITAYIXNYID-OAHLLOKOSA-N 1 0 436.812 4.219 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164392240 718826054 /nfs/dbraw/zinc/82/60/54/718826054.db2.gz ZNJJRLPXHDXFJB-RBUKOAKNSA-N 1 0 430.886 4.062 20 0 IIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)cnc1Cl ZINC001164399912 718842644 /nfs/dbraw/zinc/84/26/44/718842644.db2.gz JSTSZLMNRHEVNP-CQSZACIVSA-N 1 0 446.851 4.060 20 0 IIADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)cnc1Cl ZINC001164399911 718842691 /nfs/dbraw/zinc/84/26/91/718842691.db2.gz JSTSZLMNRHEVNP-AWEZNQCLSA-N 1 0 446.851 4.060 20 0 IIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164409298 718865915 /nfs/dbraw/zinc/86/59/15/718865915.db2.gz PFHTUQREKXOWPO-KSSFIOAISA-N 1 0 428.310 4.415 20 0 IIADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409295 718865927 /nfs/dbraw/zinc/86/59/27/718865927.db2.gz PFHTUQREKXOWPO-KDOFPFPSSA-N 1 0 428.310 4.415 20 0 IIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164413985 718880888 /nfs/dbraw/zinc/88/08/88/718880888.db2.gz PHSPKIYMRMJHKZ-AWEZNQCLSA-N 1 0 436.812 4.361 20 0 IIADRO C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCCC3)N1CCCC1 ZINC001164421895 718912057 /nfs/dbraw/zinc/91/20/57/718912057.db2.gz VNGZQSKIEFQKDG-UHFFFAOYSA-N 1 0 425.646 4.278 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423283 718945010 /nfs/dbraw/zinc/94/50/10/718945010.db2.gz GTVLHTGRSBJYQT-RTWAWAEBSA-N 1 0 445.636 4.242 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164618186 719006821 /nfs/dbraw/zinc/00/68/21/719006821.db2.gz QQUUYXLZJVGREF-HNAYVOBHSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4cc(OC)ccc43)CC2)CC1 ZINC001164617908 719026491 /nfs/dbraw/zinc/02/64/91/719026491.db2.gz RJEGGVBJHJQTQV-UHFFFAOYSA-N 1 0 431.964 4.141 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)CC1 ZINC001164618594 719032076 /nfs/dbraw/zinc/03/20/76/719032076.db2.gz VAWFDIAIJAJUBG-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618333 719047671 /nfs/dbraw/zinc/04/76/71/719047671.db2.gz AQTROHAOPUJTMJ-AVRDEDQJSA-N 1 0 441.913 4.320 20 0 IIADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618789 719047687 /nfs/dbraw/zinc/04/76/87/719047687.db2.gz BQIMKCJLLFWFEX-GCJKJVERSA-N 1 0 441.913 4.320 20 0 IIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629151 719082784 /nfs/dbraw/zinc/08/27/84/719082784.db2.gz WAHSPHWUTOKWGL-HZPDHXFCSA-N 1 0 435.355 4.061 20 0 IIADRO O=C(c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630520 719099453 /nfs/dbraw/zinc/09/94/53/719099453.db2.gz WTZCIHIBTHLVQG-OFNKIYASSA-N 1 0 439.003 4.462 20 0 IIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623331 719114180 /nfs/dbraw/zinc/11/41/80/719114180.db2.gz CMJJMTRBORUMOV-JKSUJKDBSA-N 1 0 449.958 4.471 20 0 IIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c2ccccc21 ZINC001164624810 719119430 /nfs/dbraw/zinc/11/94/30/719119430.db2.gz WCPSRBUXTJFRMV-SUMWQHHRSA-N 1 0 449.908 4.347 20 0 IIADRO Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670304 719445811 /nfs/dbraw/zinc/44/58/11/719445811.db2.gz NTWQOVBCFHOTGZ-VQTJNVASSA-N 1 0 443.576 4.248 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164680165 719636141 /nfs/dbraw/zinc/63/61/41/719636141.db2.gz QVCLWRHYWUREKF-UHFFFAOYSA-N 1 0 438.737 4.322 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)s1 ZINC001164679536 719643968 /nfs/dbraw/zinc/64/39/68/719643968.db2.gz FTBYKTBTTVSCTL-UHFFFAOYSA-N 1 0 432.597 4.338 20 0 IIADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164681853 719665691 /nfs/dbraw/zinc/66/56/91/719665691.db2.gz NTBJISVZDSWQQD-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164693927 719803159 /nfs/dbraw/zinc/80/31/59/719803159.db2.gz VVMBMNZYZZNPAV-UHFFFAOYSA-N 1 0 434.993 4.312 20 0 IIADRO CCOC(=O)/C=C/c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692641 719811520 /nfs/dbraw/zinc/81/15/20/719811520.db2.gz QGJYFIXENOPEAC-SOFGYWHQSA-N 1 0 426.586 4.058 20 0 IIADRO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164699278 719893438 /nfs/dbraw/zinc/89/34/38/719893438.db2.gz YQMOWFNPYMVWKL-UHFFFAOYSA-N 1 0 444.988 4.225 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164698181 719897812 /nfs/dbraw/zinc/89/78/12/719897812.db2.gz PJTLYZIBCNXGDM-UHFFFAOYSA-N 1 0 436.581 4.085 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164711049 720092804 /nfs/dbraw/zinc/09/28/04/720092804.db2.gz NMIBAKZWQKUYQF-LJQANCHMSA-N 1 0 436.934 4.182 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812222 720100233 /nfs/dbraw/zinc/10/02/33/720100233.db2.gz PYCGODOMVZSTEE-UTKZUKDTSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810438 720103050 /nfs/dbraw/zinc/10/30/50/720103050.db2.gz JTDNWVQTMODSNH-AJTFRIOCSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164718552 720112854 /nfs/dbraw/zinc/11/28/54/720112854.db2.gz SBXJDFWXOSUAMZ-GOSISDBHSA-N 1 0 433.021 4.359 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164714029 720145113 /nfs/dbraw/zinc/14/51/13/720145113.db2.gz VLLUTLYOHOIXLU-FQEVSTJZSA-N 1 0 435.597 4.108 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817904 720151492 /nfs/dbraw/zinc/15/14/92/720151492.db2.gz QRQXLCIIUYJHAP-CYFREDJKSA-N 1 0 440.613 4.176 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817909 720151937 /nfs/dbraw/zinc/15/19/37/720151937.db2.gz QRQXLCIIUYJHAP-YADARESESA-N 1 0 440.613 4.176 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812972 720156454 /nfs/dbraw/zinc/15/64/54/720156454.db2.gz BCBPBYZMIQOTFY-YIXXDRMTSA-N 1 0 449.595 4.028 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816062 720161671 /nfs/dbraw/zinc/16/16/71/720161671.db2.gz KFNLAQDIPJSTAY-HOYKHHGWSA-N 1 0 426.630 4.063 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817121 720180977 /nfs/dbraw/zinc/18/09/77/720180977.db2.gz OAQWYJMGXGXGHI-SBUREZEXSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812384 720192151 /nfs/dbraw/zinc/19/21/51/720192151.db2.gz ACLCCZNQTJWDPS-QRQCRPRQSA-N 1 0 436.934 4.406 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811485 720198051 /nfs/dbraw/zinc/19/80/51/720198051.db2.gz IKTAFYUZCJDZSD-SBUREZEXSA-N 1 0 446.954 4.246 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001164827740 720317295 /nfs/dbraw/zinc/31/72/95/720317295.db2.gz IEFSDRZAXVSGHK-YADHBBJMSA-N 1 0 439.003 4.314 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164829130 720351091 /nfs/dbraw/zinc/35/10/91/720351091.db2.gz QQLCBGMAPBGVBU-UXHICEINSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(C3CCCCC3)n2)CC1 ZINC001164824976 720352626 /nfs/dbraw/zinc/35/26/26/720352626.db2.gz IIQQOSNWDUTCOL-RTWAWAEBSA-N 1 0 446.039 4.089 20 0 IIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728519 720441668 /nfs/dbraw/zinc/44/16/68/720441668.db2.gz FOCUXYODZFIUSB-FGZHOGPDSA-N 1 0 433.943 4.236 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730211 720466485 /nfs/dbraw/zinc/46/64/85/720466485.db2.gz SVAFRMMDVUXVNU-IZZNHLLZSA-N 1 0 440.595 4.382 20 0 IIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732041 720476861 /nfs/dbraw/zinc/47/68/61/720476861.db2.gz YIPIAFBWSHIOHR-MSOLQXFVSA-N 1 0 425.895 4.310 20 0 IIADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164729543 720479884 /nfs/dbraw/zinc/47/98/84/720479884.db2.gz RNQFBVZYBQCOCV-UXHICEINSA-N 1 0 437.931 4.179 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)C1 ZINC001164735144 720520259 /nfs/dbraw/zinc/52/02/59/720520259.db2.gz UYTXRMQTSDVLLM-OAHLLOKOSA-N 1 0 438.988 4.406 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839626 720542657 /nfs/dbraw/zinc/54/26/57/720542657.db2.gz QWPFUXIAYLBMLL-NJNPRVFISA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164735578 720543923 /nfs/dbraw/zinc/54/39/23/720543923.db2.gz PTBNTHRKQVHVOC-LBPRGKRZSA-N 1 0 430.952 4.406 20 0 IIADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838599 720545265 /nfs/dbraw/zinc/54/52/65/720545265.db2.gz ORRAOUGBRGHMIK-ZWCUEREDSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164734054 720545804 /nfs/dbraw/zinc/54/58/04/720545804.db2.gz GTZGCCXQEUNJMD-CQSZACIVSA-N 1 0 440.922 4.224 20 0 IIADRO CC(C)(C)N([C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734019 720546477 /nfs/dbraw/zinc/54/64/77/720546477.db2.gz FZHUEOAJEYJYOV-DYESRHJHSA-N 1 0 448.970 4.441 20 0 IIADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840722 720568291 /nfs/dbraw/zinc/56/82/91/720568291.db2.gz SRKLHTDTXQRSFB-IRFCIJBXSA-N 1 0 430.556 4.259 20 0 IIADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736784 720588742 /nfs/dbraw/zinc/58/87/42/720588742.db2.gz UAUJPNWLYOYHSF-UHFFFAOYSA-N 1 0 431.918 4.288 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835598 720592646 /nfs/dbraw/zinc/59/26/46/720592646.db2.gz BPJYVVIZEOEUNP-SESVDKBCSA-N 1 0 440.592 4.003 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3OCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835930 720598685 /nfs/dbraw/zinc/59/86/85/720598685.db2.gz CSSQZMDAHCOGSB-TZRRMPRUSA-N 1 0 431.584 4.235 20 0 IIADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843606 720599824 /nfs/dbraw/zinc/59/98/24/720599824.db2.gz YPDQDNFPPWPKPB-GUDVDZBRSA-N 1 0 431.028 4.310 20 0 IIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840592 720639235 /nfs/dbraw/zinc/63/92/35/720639235.db2.gz PXDQKMSZOKJNKP-JCTONOIOSA-N 1 0 434.563 4.165 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164840536 720697974 /nfs/dbraw/zinc/69/79/74/720697974.db2.gz GFPJRDJMVMVBOR-DEOSSOPVSA-N 1 0 444.579 4.316 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164837902 720729824 /nfs/dbraw/zinc/72/98/24/720729824.db2.gz OIBVHDWDTWXYEN-NRFANRHFSA-N 1 0 431.584 4.485 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164845138 720780272 /nfs/dbraw/zinc/78/02/72/720780272.db2.gz FCYUATAEMUHGEE-NGSHPTGOSA-N 1 0 436.600 4.367 20 0 IIADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744026 720827356 /nfs/dbraw/zinc/82/73/56/720827356.db2.gz TZCKKYBOGQVNFV-QZNHQXDQSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740476 720839901 /nfs/dbraw/zinc/83/99/01/720839901.db2.gz BZAHCCCHMNEJRG-FGTMMUONSA-N 1 0 443.020 4.229 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739429 720841802 /nfs/dbraw/zinc/84/18/02/720841802.db2.gz AFMLNXLFLWZZFY-JAXLGGSGSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1C ZINC001164745778 720849693 /nfs/dbraw/zinc/84/96/93/720849693.db2.gz NJWZEDAMRODZLE-AOHZBQACSA-N 1 0 430.600 4.131 20 0 IIADRO Cc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754096 720868253 /nfs/dbraw/zinc/86/82/53/720868253.db2.gz RBSLLLIGNZMSLE-BWKNWUBXSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747200 720880833 /nfs/dbraw/zinc/88/08/33/720880833.db2.gz ALCXYBYVDUUVIS-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754361 720892499 /nfs/dbraw/zinc/89/24/99/720892499.db2.gz IOMLDCVJKBGWNU-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@H]2C ZINC001164858677 720934520 /nfs/dbraw/zinc/93/45/20/720934520.db2.gz JVVPCZSKFZLRIG-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@@H]2C ZINC001164857031 720954409 /nfs/dbraw/zinc/95/44/09/720954409.db2.gz FRHUSBAOAKKHIG-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@@H]2C ZINC001164859900 720980474 /nfs/dbraw/zinc/98/04/74/720980474.db2.gz MXUWTHYFXBOHDG-CQSZACIVSA-N 1 0 445.930 4.074 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@@H]2C ZINC001164862486 721012581 /nfs/dbraw/zinc/01/25/81/721012581.db2.gz QOKWUQDDKDWVST-MRXNPFEDSA-N 1 0 449.584 4.478 20 0 IIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865530 721077719 /nfs/dbraw/zinc/07/77/19/721077719.db2.gz MLSXUSGZMNFOJV-PMACEKPBSA-N 1 0 444.913 4.308 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761641 721155797 /nfs/dbraw/zinc/15/57/97/721155797.db2.gz ABXQCZPRFOXSDD-MSOLQXFVSA-N 1 0 431.918 4.125 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763957 721237144 /nfs/dbraw/zinc/23/71/44/721237144.db2.gz OMOSBOPJKUDCMT-JKSUJKDBSA-N 1 0 431.918 4.167 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)nc1 ZINC001164873697 721315503 /nfs/dbraw/zinc/31/55/03/721315503.db2.gz AFQOVBSTLVCQHF-CAUSLRQDSA-N 1 0 436.600 4.476 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)nc1 ZINC001164873699 721315540 /nfs/dbraw/zinc/31/55/40/721315540.db2.gz AFQOVBSTLVCQHF-MSNJVRRCSA-N 1 0 436.600 4.476 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164877089 721329448 /nfs/dbraw/zinc/32/94/48/721329448.db2.gz SHDRTBWTEBEAMM-OAQYLSRUSA-N 1 0 439.629 4.218 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779030 721340506 /nfs/dbraw/zinc/34/05/06/721340506.db2.gz PBZXYJKFDSSOKR-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887104 721401168 /nfs/dbraw/zinc/40/11/68/721401168.db2.gz LAGJXSQMOVMZRD-JPYJTQIMSA-N 1 0 449.426 4.307 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885101 721409588 /nfs/dbraw/zinc/40/95/88/721409588.db2.gz FMQLEXCWTQUMPY-BWKNWUBXSA-N 1 0 441.019 4.167 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ncccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164784494 721445336 /nfs/dbraw/zinc/44/53/36/721445336.db2.gz QGSPQOKJJBDMPE-ZJSXRUAMSA-N 1 0 442.629 4.035 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884336 721447895 /nfs/dbraw/zinc/44/78/95/721447895.db2.gz ASCGMSYXRFHVQH-WZONZLPQSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164785098 721457344 /nfs/dbraw/zinc/45/73/44/721457344.db2.gz GNGHNQBHNPDEAS-KRWDZBQOSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc(Cl)ccc3n1)CC2 ZINC001164787876 721457409 /nfs/dbraw/zinc/45/74/09/721457409.db2.gz SRYPJILQKFABTN-HXUWFJFHSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1C)CC2 ZINC001164782704 721464817 /nfs/dbraw/zinc/46/48/17/721464817.db2.gz BCACMYYSZXAFSA-GOSISDBHSA-N 1 0 442.431 4.431 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793355 721487980 /nfs/dbraw/zinc/48/79/80/721487980.db2.gz QRBSOWVBNANLDQ-QFZWGZQFSA-N 1 0 440.563 4.085 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792844 721496794 /nfs/dbraw/zinc/49/67/94/721496794.db2.gz TYDNAUKJPPSTSW-UHFFFAOYSA-N 1 0 442.991 4.496 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n2)cc1 ZINC001164795752 721498856 /nfs/dbraw/zinc/49/88/56/721498856.db2.gz LRSQXYPWDUNREM-UHFFFAOYSA-N 1 0 442.611 4.486 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807157 721548548 /nfs/dbraw/zinc/54/85/48/721548548.db2.gz PQQJIFPSVQMGLZ-CZTZKLFOSA-N 1 0 444.366 4.200 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799600 721575626 /nfs/dbraw/zinc/57/56/26/721575626.db2.gz CYAJMDAOUWRLPV-TXTKFYIRSA-N 1 0 437.632 4.335 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@@H]2CCCO[C@H]12 ZINC001164799603 721576376 /nfs/dbraw/zinc/57/63/76/721576376.db2.gz CYAJMDAOUWRLPV-VIZSFHNOSA-N 1 0 437.632 4.335 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164800673 721581800 /nfs/dbraw/zinc/58/18/00/721581800.db2.gz CKSSDZCCHJXQCV-GIWBLDEGSA-N 1 0 449.986 4.369 20 0 IIADRO Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906713 721695742 /nfs/dbraw/zinc/69/57/42/721695742.db2.gz PFNYSKSARPXEFR-JOCHJYFZSA-N 1 0 427.474 4.210 20 0 IIADRO FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908425 721697141 /nfs/dbraw/zinc/69/71/41/721697141.db2.gz ZDBRIIKHHXMNOQ-IBGZPJMESA-N 1 0 437.947 4.010 20 0 IIADRO FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907373 721707911 /nfs/dbraw/zinc/70/79/11/721707911.db2.gz RELLBJRDPIDPPA-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904307 721711504 /nfs/dbraw/zinc/71/15/04/721711504.db2.gz BNVCZSMFDKESRV-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164904983 721711896 /nfs/dbraw/zinc/71/18/96/721711896.db2.gz GHELFWFRPJNMOK-QHCPKHFHSA-N 1 0 444.526 4.008 20 0 IIADRO CSc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912687 721737617 /nfs/dbraw/zinc/73/76/17/721737617.db2.gz PKJKVLBPJMSLTI-LJQANCHMSA-N 1 0 437.585 4.053 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024651 721798654 /nfs/dbraw/zinc/79/86/54/721798654.db2.gz MPTRQNQCDOKFAO-FFZOFVMBSA-N 1 0 428.964 4.044 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024659 721798790 /nfs/dbraw/zinc/79/87/90/721798790.db2.gz MPTRQNQCDOKFAO-VDGAXYAQSA-N 1 0 428.964 4.044 20 0 IIADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026616 721799420 /nfs/dbraw/zinc/79/94/20/721799420.db2.gz ROFTUYUCCGHDDD-XUEUYAKLSA-N 1 0 437.975 4.424 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026632 721801617 /nfs/dbraw/zinc/80/16/17/721801617.db2.gz RQIQMYKPIBJRGN-CUWPLCDZSA-N 1 0 442.991 4.352 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@@H]21 ZINC001165025064 721803882 /nfs/dbraw/zinc/80/38/82/721803882.db2.gz NKOMJZOERHCSIL-OXFYSEKESA-N 1 0 430.021 4.051 20 0 IIADRO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165022741 721812702 /nfs/dbraw/zinc/81/27/02/721812702.db2.gz GZNVABMZRVHLJK-QTGUNEKASA-N 1 0 447.583 4.087 20 0 IIADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2n1 ZINC001165025257 721814638 /nfs/dbraw/zinc/81/46/38/721814638.db2.gz MBUWPUSWHYOXNB-ILZDJORESA-N 1 0 437.975 4.424 20 0 IIADRO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165023521 721818800 /nfs/dbraw/zinc/81/88/00/721818800.db2.gz HNBAIGILJKNLKY-WUMKDDEVSA-N 1 0 445.567 4.409 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165026087 721820263 /nfs/dbraw/zinc/82/02/63/721820263.db2.gz PDHHJUMFLSBCBT-NZJKTDFXSA-N 1 0 442.611 4.342 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]21 ZINC001165024688 721822731 /nfs/dbraw/zinc/82/27/31/721822731.db2.gz KYVFEIOILWDAGD-BMGDILEWSA-N 1 0 443.382 4.464 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165026780 721823615 /nfs/dbraw/zinc/82/36/15/721823615.db2.gz QGSSBCXLQBCUML-GPUOULLFSA-N 1 0 447.627 4.086 20 0 IIADRO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027574 721824388 /nfs/dbraw/zinc/82/43/88/721824388.db2.gz SRKNOAOTXOGLLW-KWOQKUFVSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncn2)cc1 ZINC001165021504 721825540 /nfs/dbraw/zinc/82/55/40/721825540.db2.gz FWQCLJXGMMQIEX-QUURXOELSA-N 1 0 429.568 4.284 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165029749 721825577 /nfs/dbraw/zinc/82/55/77/721825577.db2.gz XPOCCTGRYPRVLN-BPUDTRNYSA-N 1 0 430.552 4.153 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]21 ZINC001165023248 721828234 /nfs/dbraw/zinc/82/82/34/721828234.db2.gz IIXZRWUDIUDSQF-QUURXOELSA-N 1 0 440.595 4.159 20 0 IIADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026735 721828868 /nfs/dbraw/zinc/82/88/68/721828868.db2.gz PWXVUKALVNRXNL-CAOCKLPOSA-N 1 0 443.595 4.496 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(OCc3ccccc3)n2)CC1 ZINC001165023469 721839120 /nfs/dbraw/zinc/83/91/20/721839120.db2.gz YTUTVLFFQPTCJH-UHFFFAOYSA-N 1 0 448.567 4.174 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3ccsc32)CC1 ZINC001165019253 721839301 /nfs/dbraw/zinc/83/93/01/721839301.db2.gz BOISSGNIGYKGKE-UHFFFAOYSA-N 1 0 432.977 4.463 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(OCc3ccccc3)cn2)CC1 ZINC001165020253 721842670 /nfs/dbraw/zinc/84/26/70/721842670.db2.gz BDOZZWZCHCUHHO-UHFFFAOYSA-N 1 0 448.567 4.174 20 0 IIADRO CCCSc1ncnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1OC ZINC001165031148 721845022 /nfs/dbraw/zinc/84/50/22/721845022.db2.gz VFLNIYHYMFDACV-UHFFFAOYSA-N 1 0 446.617 4.105 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164958306 722030213 /nfs/dbraw/zinc/03/02/13/722030213.db2.gz OMMSBJQSOHGPEU-VCHRRKICSA-N 1 0 440.563 4.368 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)nc1 ZINC001164985203 722098194 /nfs/dbraw/zinc/09/81/94/722098194.db2.gz VKWZYPIUUSGVGP-STAYPELNSA-N 1 0 433.600 4.174 20 0 IIADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980744 722103326 /nfs/dbraw/zinc/10/33/26/722103326.db2.gz KEWKNWFMTJVSMT-RDJZCZTQSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971905 722114604 /nfs/dbraw/zinc/11/46/04/722114604.db2.gz DEMCDGIIXQGJGJ-VQIMIIECSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971902 722114727 /nfs/dbraw/zinc/11/47/27/722114727.db2.gz DEMCDGIIXQGJGJ-APWZRJJASA-N 1 0 444.366 4.059 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973060 722116336 /nfs/dbraw/zinc/11/63/36/722116336.db2.gz GGVKOOJKJDEAIW-FDDCHVKYSA-N 1 0 438.959 4.019 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973062 722116698 /nfs/dbraw/zinc/11/66/98/722116698.db2.gz GGVKOOJKJDEAIW-JPYJTQIMSA-N 1 0 438.959 4.019 20 0 IIADRO Clc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973835 722117826 /nfs/dbraw/zinc/11/78/26/722117826.db2.gz HJSNRTFVMMDWLQ-QFBILLFUSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971861 722121645 /nfs/dbraw/zinc/12/16/45/722121645.db2.gz CUWIOTYJZTYVGS-ZBFHGGJFSA-N 1 0 427.763 4.164 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995189 722205334 /nfs/dbraw/zinc/20/53/34/722205334.db2.gz LLOKRNOLCYVLTN-QFIPXVFZSA-N 1 0 428.943 4.445 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997450 722210438 /nfs/dbraw/zinc/21/04/38/722210438.db2.gz QGDGLMQQQVYXMW-SANMLTNESA-N 1 0 429.543 4.411 20 0 IIADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000438358915 1126093291 /nfs/dbraw/zinc/09/32/91/1126093291.db2.gz OUQHHULMHYJZJB-NRFANRHFSA-N 1 0 427.342 4.116 20 0 IIADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000466892453 1126093468 /nfs/dbraw/zinc/09/34/68/1126093468.db2.gz ZQAFGNSHNXNLJA-QFIPXVFZSA-N 1 0 441.369 4.425 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001175707417 1126149111 /nfs/dbraw/zinc/14/91/11/1126149111.db2.gz LCOQMPZQYYUVOW-DEOSSOPVSA-N 1 0 426.944 4.406 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC)c(SC(F)(F)F)c2)cc1OC ZINC001176596662 1126150072 /nfs/dbraw/zinc/15/00/72/1126150072.db2.gz BYMLKTRZKWQOJB-FQEVSTJZSA-N 1 0 445.503 4.408 20 0 IIADRO COc1cc(Cl)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001179146759 1126151503 /nfs/dbraw/zinc/15/15/03/1126151503.db2.gz CTUFPFDFQAHPHD-FQEVSTJZSA-N 1 0 440.765 4.129 20 0 IIADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277630 1126151736 /nfs/dbraw/zinc/15/17/36/1126151736.db2.gz KJRCFCIMLPNJQC-KBMIEXCESA-N 1 0 446.563 4.060 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC001179278246 1126152066 /nfs/dbraw/zinc/15/20/66/1126152066.db2.gz SEJALOPBKZSYJC-OAQYLSRUSA-N 1 0 432.337 4.166 20 0 IIADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1(C)C ZINC001202025623 1126156945 /nfs/dbraw/zinc/15/69/45/1126156945.db2.gz XSCWQMKUYWVEET-APWZRJJASA-N 1 0 425.392 4.228 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1Br ZINC001308479795 1126166766 /nfs/dbraw/zinc/16/67/66/1126166766.db2.gz NBQQKGTXKDFOLL-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO OC[C@]1([NH2+]Cc2cc(F)cc(Br)c2)CCc2cc(Br)ccc2C1 ZINC001460424981 1126191132 /nfs/dbraw/zinc/19/11/32/1126191132.db2.gz VOUOJCQUPKHEJP-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO OC[C@]1([NH2+]Cc2cccc(OC(F)(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001460424860 1126191244 /nfs/dbraw/zinc/19/12/44/1126191244.db2.gz UOKZVFCUPDPGCA-SFHVURJKSA-N 1 0 430.264 4.357 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001461633928 1126195404 /nfs/dbraw/zinc/19/54/04/1126195404.db2.gz OKEJBNMPOXZKPJ-SFHVURJKSA-N 1 0 430.264 4.357 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3F)cc2C1 ZINC001474227335 1126203596 /nfs/dbraw/zinc/20/35/96/1126203596.db2.gz UPMVIGVUBZJBGB-VWLOTQADSA-N 1 0 428.548 4.202 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(F)cc2Br)CCc2cc(Br)ccc2C1 ZINC001560532420 1126211741 /nfs/dbraw/zinc/21/17/41/1126211741.db2.gz JYZPXHLBDONNRL-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@@](C)(CO)Cc4ccccc4F)cc3)nc12 ZINC001560548333 1126212171 /nfs/dbraw/zinc/21/21/71/1126212171.db2.gz KUKQXQIYKZOUTK-AREMUKBSSA-N 1 0 433.527 4.444 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ncc(Br)cc1Cl ZINC001620624518 1126241863 /nfs/dbraw/zinc/24/18/63/1126241863.db2.gz ZASSGJBJIGUZOR-MRXNPFEDSA-N 1 0 448.586 4.343 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(SC)cc1OC ZINC001621022155 1126244428 /nfs/dbraw/zinc/24/44/28/1126244428.db2.gz LYLYKLCEMWRDQG-FQEVSTJZSA-N 1 0 440.403 4.272 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC001621022999 1126245017 /nfs/dbraw/zinc/24/50/17/1126245017.db2.gz SHKALGGWOJZMGX-IBGZPJMESA-N 1 0 448.279 4.282 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001621038507 1126245240 /nfs/dbraw/zinc/24/52/40/1126245240.db2.gz CPLWKRDNXFPWFN-FQEVSTJZSA-N 1 0 440.765 4.347 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001621486891 1126246732 /nfs/dbraw/zinc/24/67/32/1126246732.db2.gz GRBOPPHRTQXPDC-LJQANCHMSA-N 1 0 425.747 4.311 20 0 IIADRO Clc1ncc2c(c1N1CC[C@H]3COC[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164389120 718818635 /nfs/dbraw/zinc/81/86/35/718818635.db2.gz TZEQXQLJAKXRDN-PMACEKPBSA-N 1 0 439.987 4.229 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164406891 718865566 /nfs/dbraw/zinc/86/55/66/718865566.db2.gz HTCMPXWVMZVYQX-MGPUTAFESA-N 1 0 444.913 4.310 20 0 IIADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164413691 718880940 /nfs/dbraw/zinc/88/09/40/718880940.db2.gz KPWFEOLHQSFGLX-AWEZNQCLSA-N 1 0 447.839 4.390 20 0 IIADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC001164423749 718946833 /nfs/dbraw/zinc/94/68/33/718946833.db2.gz KFLXGIHUOPUTFE-RBBKRZOGSA-N 1 0 441.604 4.496 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164430721 718947627 /nfs/dbraw/zinc/94/76/27/718947627.db2.gz XABOHKPBQNGNHL-NQIIRXRSSA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164619662 719007409 /nfs/dbraw/zinc/00/74/09/719007409.db2.gz WPAMNOOEBWQLOI-KXBFYZLASA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC2)CC1 ZINC001164617119 719033539 /nfs/dbraw/zinc/03/35/39/719033539.db2.gz GXGLRIDPQOACLB-UHFFFAOYSA-N 1 0 446.954 4.180 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccccc3)CC2)CC1 ZINC001164618467 719034520 /nfs/dbraw/zinc/03/45/20/719034520.db2.gz UDPPNIPOZHKFCQ-UHFFFAOYSA-N 1 0 444.963 4.166 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4c(F)ccc(F)c34)CC2)CC1 ZINC001164618635 719035469 /nfs/dbraw/zinc/03/54/69/719035469.db2.gz WRWPLRORJDPROV-UHFFFAOYSA-N 1 0 437.918 4.410 20 0 IIADRO c1ccc(CN2CCc3ncnc(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@H]54)c3C2)cc1 ZINC001164629087 719062334 /nfs/dbraw/zinc/06/23/34/719062334.db2.gz VLSJEFQZMJZSEL-SHQCIBLASA-N 1 0 439.607 4.136 20 0 IIADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2n1 ZINC001164621009 719067104 /nfs/dbraw/zinc/06/71/04/719067104.db2.gz GBSNHXGNSHTZMW-KBPBESRZSA-N 1 0 449.773 4.481 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626537 719076122 /nfs/dbraw/zinc/07/61/22/719076122.db2.gz OGIGJODYUYCGGE-QFBILLFUSA-N 1 0 435.902 4.167 20 0 IIADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623557 719076143 /nfs/dbraw/zinc/07/61/43/719076143.db2.gz JSEOWYLFKGMLLG-WMZOPIPTSA-N 1 0 435.902 4.167 20 0 IIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@@H]3C2)cc1 ZINC001164622285 719102877 /nfs/dbraw/zinc/10/28/77/719102877.db2.gz BPUZZBJZTZIGDD-LADGPHEKSA-N 1 0 442.563 4.406 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4ccsc4cn3)CC2)c2ccccc21 ZINC001164681850 719672270 /nfs/dbraw/zinc/67/22/70/719672270.db2.gz NSZWQKBNKONLLL-HXUWFJFHSA-N 1 0 448.636 4.390 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)NC(C)(C)C)cn2)CC3)cs1 ZINC001164693840 719809003 /nfs/dbraw/zinc/80/90/03/719809003.db2.gz RNHHZJDYPAMMAE-UHFFFAOYSA-N 1 0 427.618 4.010 20 0 IIADRO CCc1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164707699 719899796 /nfs/dbraw/zinc/89/97/96/719899796.db2.gz VHQUQCDWYWKTJJ-UHFFFAOYSA-N 1 0 427.401 4.279 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164712531 720100725 /nfs/dbraw/zinc/10/07/25/720100725.db2.gz WTMDAFLNVBPGKS-QHCPKHFHSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164709960 720102783 /nfs/dbraw/zinc/10/27/83/720102783.db2.gz DIJHPSXYDDKIRS-QFIPXVFZSA-N 1 0 445.567 4.171 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164711532 720104891 /nfs/dbraw/zinc/10/48/91/720104891.db2.gz QKPWXQSBKPKJTD-GOSISDBHSA-N 1 0 425.964 4.119 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164714901 720110735 /nfs/dbraw/zinc/11/07/35/720110735.db2.gz DUMBHHGMPRXCSU-KRWDZBQOSA-N 1 0 444.004 4.247 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164719096 720114423 /nfs/dbraw/zinc/11/44/23/720114423.db2.gz VYZZAGFVDJJGFM-FQEVSTJZSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164719111 720127012 /nfs/dbraw/zinc/12/70/12/720127012.db2.gz WHCDKLUABNPDTP-HXUWFJFHSA-N 1 0 435.597 4.108 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164716917 720127285 /nfs/dbraw/zinc/12/72/85/720127285.db2.gz LLYMMSDYHPXQMT-QFIPXVFZSA-N 1 0 446.595 4.454 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809699 720135739 /nfs/dbraw/zinc/13/57/39/720135739.db2.gz IGNREWGLIYUVCY-RXVVDRJESA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811589 720138484 /nfs/dbraw/zinc/13/84/84/720138484.db2.gz MRMSQJYUKKSEDQ-HRAATJIYSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817471 720153691 /nfs/dbraw/zinc/15/36/91/720153691.db2.gz PNWJYUYZHFYTIM-BWKNWUBXSA-N 1 0 442.003 4.499 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001164820253 720167132 /nfs/dbraw/zinc/16/71/32/720167132.db2.gz ZWBFKWFDJRPTOE-CLHVYKLBSA-N 1 0 449.643 4.193 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001164820262 720167479 /nfs/dbraw/zinc/16/74/79/720167479.db2.gz ZWBFKWFDJRPTOE-YRTUYQHASA-N 1 0 449.643 4.193 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817119 720181035 /nfs/dbraw/zinc/18/10/35/720181035.db2.gz OAQWYJMGXGXGHI-GAJHUEQPSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817122 720181358 /nfs/dbraw/zinc/18/13/58/720181358.db2.gz OAQWYJMGXGXGHI-UZUQRXQVSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810305 720198251 /nfs/dbraw/zinc/19/82/51/720198251.db2.gz BRQCBNVJYIMPPI-YADARESESA-N 1 0 442.991 4.415 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164824730 720328705 /nfs/dbraw/zinc/32/87/05/720328705.db2.gz CWAIGWUSFZNKAP-NHCUHLMSSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1 ZINC001164734590 720523812 /nfs/dbraw/zinc/52/38/12/720523812.db2.gz QXTLTHBKYIFZKF-OAHLLOKOSA-N 1 0 438.988 4.406 20 0 IIADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164834378 720526098 /nfs/dbraw/zinc/52/60/98/720526098.db2.gz FTNMDXVAQHPOLA-JFIYKMOQSA-N 1 0 431.009 4.227 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834999 720539250 /nfs/dbraw/zinc/53/92/50/720539250.db2.gz GOJVQSOZTKDMAB-OHUGHZGNSA-N 1 0 441.583 4.199 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(-c4cccc(Cl)n4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835822 720547140 /nfs/dbraw/zinc/54/71/40/720547140.db2.gz HYXRTFLQVNMNPO-XQBPLPMBSA-N 1 0 436.991 4.371 20 0 IIADRO c1csc(-c2csc3ncnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c23)c1 ZINC001164732699 720555711 /nfs/dbraw/zinc/55/57/11/720555711.db2.gz DRLIAALVDQTOJU-UHFFFAOYSA-N 1 0 436.610 4.275 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840745 720571067 /nfs/dbraw/zinc/57/10/67/720571067.db2.gz SRPRATADLFWYMO-SFYKDHMMSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837619 720645040 /nfs/dbraw/zinc/64/50/40/720645040.db2.gz DKMJPEMJEIZQCE-YESZJQIVSA-N 1 0 435.403 4.235 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164842711 720668263 /nfs/dbraw/zinc/66/82/63/720668263.db2.gz TYQTYTXZCNTECG-NRFANRHFSA-N 1 0 449.986 4.452 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164844536 720681661 /nfs/dbraw/zinc/68/16/61/720681661.db2.gz SVKKBHDHKVCAQD-NRFANRHFSA-N 1 0 449.986 4.452 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164843386 720684633 /nfs/dbraw/zinc/68/46/33/720684633.db2.gz PCIHSAJKNAHIPW-IBGZPJMESA-N 1 0 426.992 4.269 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164840414 720707504 /nfs/dbraw/zinc/70/75/04/720707504.db2.gz QNUIHVAMVFVTAC-LJQANCHMSA-N 1 0 439.991 4.434 20 0 IIADRO COC(=O)c1ccc2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164836412 720708489 /nfs/dbraw/zinc/70/84/89/720708489.db2.gz ACFIIPMUOGFPJT-XMMPIXPASA-N 1 0 445.563 4.281 20 0 IIADRO COC(=O)c1cccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc21 ZINC001164836436 720721613 /nfs/dbraw/zinc/72/16/13/720721613.db2.gz AJVIJNJCGDPVRF-OAQYLSRUSA-N 1 0 445.563 4.281 20 0 IIADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838681 720737055 /nfs/dbraw/zinc/73/70/55/720737055.db2.gz WUIJQGYTEOUPIJ-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Fc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753370 720873204 /nfs/dbraw/zinc/87/32/04/720873204.db2.gz PENRHTGEVUHFQV-XXBNENTESA-N 1 0 430.955 4.024 20 0 IIADRO Fc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753361 720873589 /nfs/dbraw/zinc/87/35/89/720873589.db2.gz PENRHTGEVUHFQV-AUSIDOKSSA-N 1 0 430.955 4.024 20 0 IIADRO c1ccc2c(c1)ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751497 720875255 /nfs/dbraw/zinc/87/52/55/720875255.db2.gz KLBWTGGJTNNZAM-RPLLCQBOSA-N 1 0 428.580 4.385 20 0 IIADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164852998 720875728 /nfs/dbraw/zinc/87/57/28/720875728.db2.gz BCCVSGHIIYSQFQ-HFZDXXHNSA-N 1 0 447.579 4.084 20 0 IIADRO Cc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753988 720878470 /nfs/dbraw/zinc/87/84/70/720878470.db2.gz QQGCZDVBTJGRKV-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164750689 720884670 /nfs/dbraw/zinc/88/46/70/720884670.db2.gz BPOLQNRFJJAOIG-URXFXBBRSA-N 1 0 426.992 4.194 20 0 IIADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757462 720885138 /nfs/dbraw/zinc/88/51/38/720885138.db2.gz VBKFUVOTYSLZON-SQHAQQRYSA-N 1 0 432.612 4.111 20 0 IIADRO Cc1cccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164756831 720885476 /nfs/dbraw/zinc/88/54/76/720885476.db2.gz RHWUEKCQOJPVII-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755088 720886158 /nfs/dbraw/zinc/88/61/58/720886158.db2.gz KQCSTJGOIUOLBP-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757907 720889095 /nfs/dbraw/zinc/88/90/95/720889095.db2.gz WJRVPGHMFQTGDQ-NHTMILBNSA-N 1 0 444.982 4.349 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@H]2C ZINC001164854861 720927354 /nfs/dbraw/zinc/92/73/54/720927354.db2.gz GKJOPHGROJNQTK-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CSCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750127 720929756 /nfs/dbraw/zinc/92/97/56/720929756.db2.gz JGDQUCQOGAKVFZ-NOZRDPDXSA-N 1 0 438.641 4.095 20 0 IIADRO COc1ccc(Cc2c(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164863115 721017571 /nfs/dbraw/zinc/01/75/71/721017571.db2.gz SYRPYQJTEYVXJR-FQEVSTJZSA-N 1 0 448.615 4.311 20 0 IIADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759416 721045094 /nfs/dbraw/zinc/04/50/94/721045094.db2.gz LRKVKXLVMDWKAF-UHFFFAOYSA-N 1 0 436.600 4.214 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771006 721101808 /nfs/dbraw/zinc/10/18/08/721101808.db2.gz QVPINARJVROTDN-RYUDHWBXSA-N 1 0 435.186 4.387 20 0 IIADRO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@H+](Cc6cnn(C)c6)CC[C@@H]5C4)c23)cc1 ZINC001164767294 721114526 /nfs/dbraw/zinc/11/45/26/721114526.db2.gz MINJFTBTJONJJG-RTWAWAEBSA-N 1 0 444.608 4.359 20 0 IIADRO c1cc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cs1 ZINC001164877029 721149945 /nfs/dbraw/zinc/14/99/45/721149945.db2.gz OARNFTGJGGXRFV-LEWJYISDSA-N 1 0 443.576 4.233 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761643 721156199 /nfs/dbraw/zinc/15/61/99/721156199.db2.gz ABXQCZPRFOXSDD-QZTJIDSGSA-N 1 0 431.918 4.125 20 0 IIADRO Clc1ccc(Cl)c2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164872205 721180681 /nfs/dbraw/zinc/18/06/81/721180681.db2.gz GUQOSNHWWCIZFI-SJORKVTESA-N 1 0 429.351 4.416 20 0 IIADRO Fc1ccc(F)c2c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164867865 721191447 /nfs/dbraw/zinc/19/14/47/721191447.db2.gz ITGCIXCODQMQQV-HOTGVXAUSA-N 1 0 430.886 4.041 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772369 721204174 /nfs/dbraw/zinc/20/41/74/721204174.db2.gz TVVTVAGKOSTONY-UYAOXDASSA-N 1 0 430.581 4.050 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759446 721248642 /nfs/dbraw/zinc/24/86/42/721248642.db2.gz AJGPTADYBIQKNA-ZWKOTPCHSA-N 1 0 449.977 4.241 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777428 721352143 /nfs/dbraw/zinc/35/21/43/721352143.db2.gz GYPUUNPVCXSZOD-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccc(C[N@@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785067 721444884 /nfs/dbraw/zinc/44/48/84/721444884.db2.gz RLGMVRKJSLQYTB-YKSBVNFPSA-N 1 0 442.629 4.033 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164787802 721453050 /nfs/dbraw/zinc/45/30/50/721453050.db2.gz QPXGQQPGWRNHPK-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164786914 721454762 /nfs/dbraw/zinc/45/47/62/721454762.db2.gz OQRDWMIYJRRLRP-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164790078 721461452 /nfs/dbraw/zinc/46/14/52/721461452.db2.gz ZOSFIDHOUVEFFG-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164784960 721462496 /nfs/dbraw/zinc/46/24/96/721462496.db2.gz LAZKBEXLLZGUBL-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164889716 721470460 /nfs/dbraw/zinc/47/04/60/721470460.db2.gz IDZUFTZIMCQUCS-QPPBQGQZSA-N 1 0 446.599 4.073 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901989 721491232 /nfs/dbraw/zinc/49/12/32/721491232.db2.gz XWSVFRHSIXKCHW-GMAHTHKFSA-N 1 0 440.632 4.063 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164792501 721494522 /nfs/dbraw/zinc/49/45/22/721494522.db2.gz PUXOESDJKZRPHX-UHFFFAOYSA-N 1 0 436.934 4.478 20 0 IIADRO COC(=O)c1ccc2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164795453 721499224 /nfs/dbraw/zinc/49/92/24/721499224.db2.gz HLJGAVISDUOKFS-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164796402 721501318 /nfs/dbraw/zinc/50/13/18/721501318.db2.gz UUEKSXUXPIKVKB-UHFFFAOYSA-N 1 0 446.933 4.432 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@@H+]3C2)c1 ZINC001164907138 721541663 /nfs/dbraw/zinc/54/16/63/721541663.db2.gz MGHPCJDWMMWTOT-IEBWSBKVSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@@H+]3C2)c1 ZINC001164909170 721555215 /nfs/dbraw/zinc/55/52/15/721555215.db2.gz SHJXZPOTTVHNEB-NVXWUHKLSA-N 1 0 438.881 4.033 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164905417 721559261 /nfs/dbraw/zinc/55/92/61/721559261.db2.gz HGNBWSVISNLSGL-MJGOQNOKSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164908662 721565757 /nfs/dbraw/zinc/56/57/57/721565757.db2.gz RLKUTPIEGXJJLY-FPOVZHCZSA-N 1 0 436.556 4.250 20 0 IIADRO FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905504 721711192 /nfs/dbraw/zinc/71/11/92/721711192.db2.gz GZRPXGWHFHLWEX-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913142 721726798 /nfs/dbraw/zinc/72/67/98/721726798.db2.gz UJILRRKVRDLPKU-NRFANRHFSA-N 1 0 433.934 4.449 20 0 IIADRO FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910574 721735467 /nfs/dbraw/zinc/73/54/67/721735467.db2.gz GLTODQAKQVLDBZ-GOSISDBHSA-N 1 0 444.860 4.292 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020275 721799567 /nfs/dbraw/zinc/79/95/67/721799567.db2.gz DVAWBTKPPWPBSO-DBVUQKKJSA-N 1 0 428.964 4.044 20 0 IIADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1Cl ZINC001165022116 721802276 /nfs/dbraw/zinc/80/22/76/721802276.db2.gz HZNZMZWJZPHPBY-NBHGPNQESA-N 1 0 428.964 4.044 20 0 IIADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1Cl ZINC001165022118 721802357 /nfs/dbraw/zinc/80/23/57/721802357.db2.gz HZNZMZWJZPHPBY-SCWSEQNSSA-N 1 0 428.964 4.044 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]21 ZINC001165023384 721803791 /nfs/dbraw/zinc/80/37/91/721803791.db2.gz JSKNBONLKNFBAS-STZQEDGTSA-N 1 0 434.975 4.324 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165025908 721809340 /nfs/dbraw/zinc/80/93/40/721809340.db2.gz ODYNQTNVCMHZNJ-ZTCOLXNVSA-N 1 0 430.552 4.153 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028229 721811510 /nfs/dbraw/zinc/81/15/10/721811510.db2.gz WSENLEGRKPHJDZ-IOMROCGXSA-N 1 0 442.991 4.352 20 0 IIADRO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165022743 721812880 /nfs/dbraw/zinc/81/28/80/721812880.db2.gz GZNVABMZRVHLJK-ZEYPLWLESA-N 1 0 447.583 4.087 20 0 IIADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165026082 721820392 /nfs/dbraw/zinc/82/03/92/721820392.db2.gz PDHHJUMFLSBCBT-BBVWWWHTSA-N 1 0 442.611 4.342 20 0 IIADRO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027060 721822138 /nfs/dbraw/zinc/82/21/38/721822138.db2.gz RLRAZSKXMBOAFM-OYDLWJJNSA-N 1 0 430.552 4.153 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2)C1 ZINC001165027042 721823483 /nfs/dbraw/zinc/82/34/83/721823483.db2.gz RFBUPNQLBANWMX-VQPAQMSKSA-N 1 0 447.627 4.086 20 0 IIADRO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165025223 721824356 /nfs/dbraw/zinc/82/43/56/721824356.db2.gz MGJFADONTKJYGM-QUURXOELSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165026133 721825581 /nfs/dbraw/zinc/82/55/81/721825581.db2.gz OFEQIUFAMBTSAY-NGYIFUPDSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@@H]21 ZINC001165029480 721828119 /nfs/dbraw/zinc/82/81/19/721828119.db2.gz WXVRYIMJVWERCX-GRYUFTJMSA-N 1 0 440.595 4.159 20 0 IIADRO COc1cccc(-c2ccnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)n2)c1 ZINC001165022054 721842658 /nfs/dbraw/zinc/84/26/58/721842658.db2.gz OIDBNFTVTDDLGD-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC001165023220 721843860 /nfs/dbraw/zinc/84/38/60/721843860.db2.gz YTFUXXQHWUCJRT-UHFFFAOYSA-N 1 0 436.531 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccccc3F)nn2)CC1 ZINC001165020429 721844367 /nfs/dbraw/zinc/84/43/67/721844367.db2.gz DNGGKMDPSKVCIB-UHFFFAOYSA-N 1 0 436.531 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(nc2Cl)CCCC3)CC1 ZINC001165030375 721845158 /nfs/dbraw/zinc/84/51/58/721845158.db2.gz JWRJFVPZQOVRHM-UHFFFAOYSA-N 1 0 430.980 4.127 20 0 IIADRO CCc1nc(Cl)nc(Cl)c1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165030875 721845193 /nfs/dbraw/zinc/84/51/93/721845193.db2.gz LFPNZWWLGDXUII-UHFFFAOYSA-N 1 0 439.387 4.464 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164935130 721887102 /nfs/dbraw/zinc/88/71/02/721887102.db2.gz WMBUSMXMFOVAJX-OALUTQOASA-N 1 0 436.934 4.041 20 0 IIADRO COc1cccc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)n2)c1 ZINC001164940649 721929015 /nfs/dbraw/zinc/92/90/15/721929015.db2.gz VKQMFRFDLHVQIB-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO COc1ccccc1-c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164940709 721931359 /nfs/dbraw/zinc/93/13/59/721931359.db2.gz XZQVTFFDJCQVCD-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO C[NH+](C)CC1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165044977 721948790 /nfs/dbraw/zinc/94/87/90/721948790.db2.gz LDEZNHCVGYWXLQ-UHFFFAOYSA-N 1 0 427.662 4.334 20 0 IIADRO O=C(NCCSCc1ccco1)c1cccnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047226 721973125 /nfs/dbraw/zinc/97/31/25/721973125.db2.gz FETILTMLIYOZJC-FQEVSTJZSA-N 1 0 442.629 4.183 20 0 IIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952160 722015602 /nfs/dbraw/zinc/01/56/02/722015602.db2.gz IFYMLGAHWLDHKG-UHFFFAOYSA-N 1 0 428.964 4.108 20 0 IIADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1)C1CC1 ZINC001164955839 722021417 /nfs/dbraw/zinc/02/14/17/722021417.db2.gz OSRVXVHHTMZWTG-HSZRJFAPSA-N 1 0 434.584 4.026 20 0 IIADRO c1cncc(-c2ccc3nc(C4CCN(c5ncccc5C[NH+]5CCCC5)CC4)nn3c2)c1 ZINC001164957068 722050190 /nfs/dbraw/zinc/05/01/90/722050190.db2.gz HTCFWAAEQQXHIX-UHFFFAOYSA-N 1 0 439.567 4.166 20 0 IIADRO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)s1 ZINC001164964837 722054303 /nfs/dbraw/zinc/05/43/03/722054303.db2.gz YICYGOOHQRAUJN-UHFFFAOYSA-N 1 0 444.004 4.167 20 0 IIADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963296 722059310 /nfs/dbraw/zinc/05/93/10/722059310.db2.gz VVUJMJWBDFTKEO-UHFFFAOYSA-N 1 0 444.023 4.250 20 0 IIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985258 722101575 /nfs/dbraw/zinc/10/15/75/722101575.db2.gz VUCLJFFBPZJSFZ-QAPCUYQASA-N 1 0 443.325 4.056 20 0 IIADRO Cc1cc(NC(=O)c2cccnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)no1 ZINC001164995394 722207686 /nfs/dbraw/zinc/20/76/86/722207686.db2.gz NMTJNJVMUSUGTJ-XMMPIXPASA-N 1 0 435.503 4.014 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3cc(Cl)ccc31)CCC2 ZINC001165000833 722252510 /nfs/dbraw/zinc/25/25/10/722252510.db2.gz VGMHPUVRARTCGR-UHFFFAOYSA-N 1 0 434.371 4.227 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000532068159 1126096818 /nfs/dbraw/zinc/09/68/18/1126096818.db2.gz XFSARYDAORMUIN-CQSZACIVSA-N 1 0 438.163 4.386 20 0 IIADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000480455453 1126094592 /nfs/dbraw/zinc/09/45/92/1126094592.db2.gz UDZRYKPGVKQNAA-NRFANRHFSA-N 1 0 445.332 4.255 20 0 IIADRO O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507949034 1126095206 /nfs/dbraw/zinc/09/52/06/1126095206.db2.gz FSVHQLCVOCLIFI-GDBMZVCRSA-N 1 0 436.243 4.377 20 0 IIADRO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc(Br)c1OC(F)F ZINC000577546588 1126098132 /nfs/dbraw/zinc/09/81/32/1126098132.db2.gz VMFQGKMKHIQYDT-UHFFFAOYSA-N 1 0 442.300 4.069 20 0 IIADRO CCCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000604766537 1126100411 /nfs/dbraw/zinc/10/04/11/1126100411.db2.gz DRZSACYSJDHDHD-QGZVFWFLSA-N 1 0 447.373 4.421 20 0 IIADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cn1 ZINC000756118023 1126107075 /nfs/dbraw/zinc/10/70/75/1126107075.db2.gz JXWVUKDOQDCFSR-FUHWJXTLSA-N 1 0 425.451 4.053 20 0 IIADRO OC[C@]1([NH2+]Cc2cccc(F)c2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949806 1126148805 /nfs/dbraw/zinc/14/88/05/1126148805.db2.gz ZULGIKRGBSWZSW-IBGZPJMESA-N 1 0 430.264 4.199 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867465 1126151321 /nfs/dbraw/zinc/15/13/21/1126151321.db2.gz GZPBMSZHLBQNDQ-FCHUYYIVSA-N 1 0 442.600 4.148 20 0 IIADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC(F)F ZINC001179146744 1126151567 /nfs/dbraw/zinc/15/15/67/1126151567.db2.gz CIAHIYVJRPGHNR-FQEVSTJZSA-N 1 0 442.300 4.069 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC001179278243 1126152043 /nfs/dbraw/zinc/15/20/43/1126152043.db2.gz SEJALOPBKZSYJC-NRFANRHFSA-N 1 0 432.337 4.166 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001179519791 1126152523 /nfs/dbraw/zinc/15/25/23/1126152523.db2.gz BESAPLSMSQZQNX-JOCHJYFZSA-N 1 0 433.474 4.042 20 0 IIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001203120356 1126157785 /nfs/dbraw/zinc/15/77/85/1126157785.db2.gz XMQCIERRRMDSBL-JOCHJYFZSA-N 1 0 444.348 4.092 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC001203282884 1126158109 /nfs/dbraw/zinc/15/81/09/1126158109.db2.gz LABPTFQJTNMGSF-MHZLTWQESA-N 1 0 445.563 4.314 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC001308119115 1126164305 /nfs/dbraw/zinc/16/43/05/1126164305.db2.gz YNMSAFSPVPFYSQ-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC001308480149 1126167075 /nfs/dbraw/zinc/16/70/75/1126167075.db2.gz TVKHKHLGQAKVPY-OAQYLSRUSA-N 1 0 432.337 4.166 20 0 IIADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001308494379 1126167288 /nfs/dbraw/zinc/16/72/88/1126167288.db2.gz IGIVWCMUHPDVPF-XMMPIXPASA-N 1 0 426.944 4.406 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(F)cc1I ZINC001308494104 1126167314 /nfs/dbraw/zinc/16/73/14/1126167314.db2.gz FRNTYJLOZUCNPU-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC001461433999 1126194534 /nfs/dbraw/zinc/19/45/34/1126194534.db2.gz UIHVXGZFZYXSIA-HXUWFJFHSA-N 1 0 428.374 4.253 20 0 IIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001460421958 1126191081 /nfs/dbraw/zinc/19/10/81/1126191081.db2.gz IUONXGDGMZMPKF-MRXNPFEDSA-N 1 0 435.309 4.242 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998737 1126201194 /nfs/dbraw/zinc/20/11/94/1126201194.db2.gz KJKSUUIVWUDGDV-NFBKMPQASA-N 1 0 446.469 4.293 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 ZINC001474258308 1126203982 /nfs/dbraw/zinc/20/39/82/1126203982.db2.gz URQXFICZDQMFDY-HHHXNRCGSA-N 1 0 445.563 4.314 20 0 IIADRO OC[C@]1([NH2+]Cc2ccccc2OCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC001559998084 1126207373 /nfs/dbraw/zinc/20/73/73/1126207373.db2.gz QCLKADHMVLVJDJ-IBGZPJMESA-N 1 0 444.291 4.400 20 0 IIADRO CCCOc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001560532625 1126211821 /nfs/dbraw/zinc/21/18/21/1126211821.db2.gz PKPHKKVMZXFYBZ-QFIPXVFZSA-N 1 0 434.374 4.256 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001560548151 1126212050 /nfs/dbraw/zinc/21/20/50/1126212050.db2.gz CUXYFUUUTNHKGC-OAQYLSRUSA-N 1 0 428.330 4.115 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001560548390 1126212496 /nfs/dbraw/zinc/21/24/96/1126212496.db2.gz MNTGRMBYMKSHGM-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC001620790782 1126242980 /nfs/dbraw/zinc/24/29/80/1126242980.db2.gz PJFQEGJIHNEZLE-IBGZPJMESA-N 1 0 439.357 4.118 20 0 IIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387701 718802295 /nfs/dbraw/zinc/80/22/95/718802295.db2.gz MJRCXFJHPAPUKE-MRXNPFEDSA-N 1 0 425.646 4.120 20 0 IIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164387576 718813278 /nfs/dbraw/zinc/81/32/78/718813278.db2.gz IKGNSZGDHBBVBT-MRXNPFEDSA-N 1 0 431.625 4.069 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164423281 718944915 /nfs/dbraw/zinc/94/49/15/718944915.db2.gz GTVLHTGRSBJYQT-LEWJYISDSA-N 1 0 445.636 4.242 20 0 IIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618471 719077508 /nfs/dbraw/zinc/07/75/08/719077508.db2.gz AQBOBJIXIOOIQD-IRXDYDNUSA-N 1 0 447.004 4.129 20 0 IIADRO CCOC(Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OCC ZINC001164619194 719078735 /nfs/dbraw/zinc/07/87/35/719078735.db2.gz CJOHUIMUFLNDCM-FPOVZHCZSA-N 1 0 445.007 4.172 20 0 IIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629637 719083396 /nfs/dbraw/zinc/08/33/96/719083396.db2.gz YIJIAFPYLMNHAZ-TZIWHRDSSA-N 1 0 426.992 4.318 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164621633 719126885 /nfs/dbraw/zinc/12/68/85/719126885.db2.gz NBFVSGPJBGRTPG-KBXCAEBGSA-N 1 0 425.882 4.469 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)nc1 ZINC001164650532 719295501 /nfs/dbraw/zinc/29/55/01/719295501.db2.gz IONSTFSVFBIDKI-GWZVJQKXSA-N 1 0 436.600 4.367 20 0 IIADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)c1 ZINC001164681052 719659637 /nfs/dbraw/zinc/65/96/37/719659637.db2.gz LYOAUSLRQYHWBR-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)cs1 ZINC001164693096 719815357 /nfs/dbraw/zinc/81/53/57/719815357.db2.gz ULEAZELNATXHTI-UHFFFAOYSA-N 1 0 446.624 4.427 20 0 IIADRO CCCSc1ncnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1OC ZINC001164700674 719816282 /nfs/dbraw/zinc/81/62/82/719816282.db2.gz LHHZPSZQQXFJKY-UHFFFAOYSA-N 1 0 433.647 4.387 20 0 IIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)c1 ZINC001164698971 719897975 /nfs/dbraw/zinc/89/79/75/719897975.db2.gz UYKZVEFWLFLHCE-UHFFFAOYSA-N 1 0 426.611 4.113 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810440 720101947 /nfs/dbraw/zinc/10/19/47/720101947.db2.gz JTDNWVQTMODSNH-AMGIVPHBSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813911 720110256 /nfs/dbraw/zinc/11/02/56/720110256.db2.gz RPIUFLGVZYIMBC-WXVAWEFUSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164718066 720111347 /nfs/dbraw/zinc/11/13/47/720111347.db2.gz RJRAJZCSKBDCOF-JOCHJYFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164714032 720144922 /nfs/dbraw/zinc/14/49/22/720144922.db2.gz VLLUTLYOHOIXLU-HXUWFJFHSA-N 1 0 435.597 4.108 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164711119 720153295 /nfs/dbraw/zinc/15/32/95/720153295.db2.gz FMWULYLRNUBSSH-LJQANCHMSA-N 1 0 429.996 4.156 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817394 720157192 /nfs/dbraw/zinc/15/71/92/720157192.db2.gz PFSVUSVUNLVYHB-DNVCBOLYSA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819050 720175057 /nfs/dbraw/zinc/17/50/57/720175057.db2.gz VSRAIEQAPCPTFM-RDPSFJRHSA-N 1 0 426.992 4.290 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819052 720176155 /nfs/dbraw/zinc/17/61/55/720176155.db2.gz VSRAIEQAPCPTFM-YKSBVNFPSA-N 1 0 426.992 4.290 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818226 720180701 /nfs/dbraw/zinc/18/07/01/720180701.db2.gz SHXXLGYIFFXSOO-MBSDFSHPSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812382 720191218 /nfs/dbraw/zinc/19/12/18/720191218.db2.gz ACLCCZNQTJWDPS-NYHFZMIOSA-N 1 0 436.934 4.406 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813485 720197734 /nfs/dbraw/zinc/19/77/34/720197734.db2.gz QAGVLRSPCZFWIY-UZUQRXQVSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810789 720198232 /nfs/dbraw/zinc/19/82/32/720198232.db2.gz CPNISAWEXRPCCG-NTKDMRAZSA-N 1 0 442.991 4.415 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3c(F)ccc(F)c23)CC1 ZINC001164830560 720354426 /nfs/dbraw/zinc/35/44/26/720354426.db2.gz WATFELOQIOUBFS-ZWKOTPCHSA-N 1 0 448.945 4.078 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3cc(OCc4ccccc4)ccc3n2)C1 ZINC001164730618 720518237 /nfs/dbraw/zinc/51/82/37/720518237.db2.gz RZJMFAHTEIPSCQ-NRFANRHFSA-N 1 0 427.552 4.208 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1 ZINC001164731694 720529557 /nfs/dbraw/zinc/52/95/57/720529557.db2.gz ABCHYLAXUZUHEF-HNNXBMFYSA-N 1 0 449.908 4.481 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839622 720542310 /nfs/dbraw/zinc/54/23/10/720542310.db2.gz QWPFUXIAYLBMLL-JBYIUTFZSA-N 1 0 439.991 4.471 20 0 IIADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838594 720545248 /nfs/dbraw/zinc/54/52/48/720545248.db2.gz ORRAOUGBRGHMIK-LQBOVUBWSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840742 720568039 /nfs/dbraw/zinc/56/80/39/720568039.db2.gz SRPRATADLFWYMO-SELNLUPBSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164741522 720592784 /nfs/dbraw/zinc/59/27/84/720592784.db2.gz LKSWCOCXISPCDP-UHFFFAOYSA-N 1 0 438.963 4.086 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836810 720633575 /nfs/dbraw/zinc/63/35/75/720633575.db2.gz GYHOCEMWAOFMAW-OXFYSEKESA-N 1 0 444.505 4.281 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164841753 720672415 /nfs/dbraw/zinc/67/24/15/720672415.db2.gz PVNUPAWRKJDHBC-IBGZPJMESA-N 1 0 426.992 4.269 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164844491 720680917 /nfs/dbraw/zinc/68/09/17/720680917.db2.gz SJQQNDOFXFOEAO-QGZVFWFLSA-N 1 0 431.005 4.038 20 0 IIADRO CCOC(=O)c1c(C)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164839938 720697790 /nfs/dbraw/zinc/69/77/90/720697790.db2.gz CYLDVZZXMWACTD-QFIPXVFZSA-N 1 0 437.584 4.135 20 0 IIADRO COc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(C)nc2c1 ZINC001164841641 720716820 /nfs/dbraw/zinc/71/68/20/720716820.db2.gz VFUHZURGAISNJU-OAQYLSRUSA-N 1 0 432.568 4.207 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164837904 720729088 /nfs/dbraw/zinc/72/90/88/720729088.db2.gz OIBVHDWDTWXYEN-OAQYLSRUSA-N 1 0 431.584 4.485 20 0 IIADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838887 720737130 /nfs/dbraw/zinc/73/71/30/720737130.db2.gz ZBVJVVLTRLHZHM-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744581 720819060 /nfs/dbraw/zinc/81/90/60/720819060.db2.gz VHVYFIUQBQAZKH-IJEWVQPXSA-N 1 0 441.794 4.013 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742959 720840979 /nfs/dbraw/zinc/84/09/79/720840979.db2.gz HOWMMARTIWGPOS-CNNODRBYSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1C ZINC001164745781 720849869 /nfs/dbraw/zinc/84/98/69/720849869.db2.gz NJWZEDAMRODZLE-WPFOTENUSA-N 1 0 430.600 4.131 20 0 IIADRO Cc1csc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164752245 720869613 /nfs/dbraw/zinc/86/96/13/720869613.db2.gz MJMYNKVBQVDSHG-BWKNWUBXSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751682 720871939 /nfs/dbraw/zinc/87/19/39/720871939.db2.gz LWPDTEICPXOIBZ-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO Fc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750763 720879318 /nfs/dbraw/zinc/87/93/18/720879318.db2.gz JRSMLOHDQPCTQP-CVDCTZTESA-N 1 0 430.955 4.024 20 0 IIADRO CSc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164747179 720906254 /nfs/dbraw/zinc/90/62/54/720906254.db2.gz BZALKGXSNDVNCY-RCZVLFRGSA-N 1 0 438.641 4.262 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@H]2C ZINC001164857198 721006581 /nfs/dbraw/zinc/00/65/81/721006581.db2.gz DAASVDXJSXWOCI-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cn5ccccc5=O)cn4)CC3)CC2)cc1 ZINC001164760535 721046057 /nfs/dbraw/zinc/04/60/57/721046057.db2.gz VPGXMJJPDUKPKZ-UHFFFAOYSA-N 1 0 442.607 4.483 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)CC3)CC2)cc1 ZINC001164758824 721046653 /nfs/dbraw/zinc/04/66/53/721046653.db2.gz CHIVEFGJLNYAMB-UHFFFAOYSA-N 1 0 447.627 4.340 20 0 IIADRO CCS(=O)(=O)c1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164760562 721047535 /nfs/dbraw/zinc/04/75/35/721047535.db2.gz WGTGQRCHVQEXBW-UHFFFAOYSA-N 1 0 427.614 4.066 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771192 721056088 /nfs/dbraw/zinc/05/60/88/721056088.db2.gz LXARDIPFBUQSDI-WXFUMESZSA-N 1 0 433.600 4.102 20 0 IIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865533 721077464 /nfs/dbraw/zinc/07/74/64/721077464.db2.gz MLSXUSGZMNFOJV-WOJBJXKFSA-N 1 0 444.913 4.308 20 0 IIADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879453 721166735 /nfs/dbraw/zinc/16/67/35/721166735.db2.gz SGNQNCCRFZUMHW-VQTJNVASSA-N 1 0 444.913 4.308 20 0 IIADRO Clc1ccc(Cl)c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164872201 721181272 /nfs/dbraw/zinc/18/12/72/721181272.db2.gz GUQOSNHWWCIZFI-IAGOWNOFSA-N 1 0 429.351 4.416 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164878847 721259951 /nfs/dbraw/zinc/25/99/51/721259951.db2.gz VTMMUMUSWGULBI-GBXCKJPGSA-N 1 0 427.976 4.414 20 0 IIADRO Cc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778474 721329688 /nfs/dbraw/zinc/32/96/88/721329688.db2.gz XIOCVDZQXAVYRZ-XUZZJYLKSA-N 1 0 426.992 4.298 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc(Cl)cc43)C2)C1 ZINC001164780028 721339748 /nfs/dbraw/zinc/33/97/48/721339748.db2.gz YOLIUXDUASXINC-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO O=C1C[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884700 721354865 /nfs/dbraw/zinc/35/48/65/721354865.db2.gz WGJCKXQCOUIKOX-XZOQPEGZSA-N 1 0 430.577 4.086 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3C)C2)C1 ZINC001164786111 721363383 /nfs/dbraw/zinc/36/33/83/721363383.db2.gz WGIREJZHKTXSHH-NRFANRHFSA-N 1 0 439.387 4.421 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccc(C[N@@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785049 721444991 /nfs/dbraw/zinc/44/49/91/721444991.db2.gz RLGMVRKJSLQYTB-GBXCKJPGSA-N 1 0 442.629 4.033 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884329 721447057 /nfs/dbraw/zinc/44/70/57/721447057.db2.gz ASCGMSYXRFHVQH-FDDCHVKYSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164787796 721453530 /nfs/dbraw/zinc/45/35/30/721453530.db2.gz QPXGQQPGWRNHPK-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164793820 721491411 /nfs/dbraw/zinc/49/14/11/721491411.db2.gz XOHUBKMYJAHHPC-UHFFFAOYSA-N 1 0 434.975 4.468 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792309 721493976 /nfs/dbraw/zinc/49/39/76/721493976.db2.gz NWUFXRGQIUXDQX-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO Cc1nc(-c2ccncc2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164796356 721502427 /nfs/dbraw/zinc/50/24/27/721502427.db2.gz RBALVXSNBJWVPO-UHFFFAOYSA-N 1 0 428.584 4.431 20 0 IIADRO CCCSc1ncnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164796002 721503776 /nfs/dbraw/zinc/50/37/76/721503776.db2.gz PLTOECFUNJSFED-UHFFFAOYSA-N 1 0 427.618 4.263 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908148 721528885 /nfs/dbraw/zinc/52/88/85/721528885.db2.gz PCNBLLASWALOSG-ZFWWWQNUSA-N 1 0 434.849 4.042 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164905412 721559117 /nfs/dbraw/zinc/55/91/17/721559117.db2.gz HGNBWSVISNLSGL-HKUYNNGSSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@@H+]3C2)c1 ZINC001164910322 721560938 /nfs/dbraw/zinc/56/09/38/721560938.db2.gz WHDCVOPWRZMAFA-RDJZCZTQSA-N 1 0 433.314 4.418 20 0 IIADRO Cc1sc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908345 721586846 /nfs/dbraw/zinc/58/68/46/721586846.db2.gz YKGGAAITKFXFAX-OAQYLSRUSA-N 1 0 429.540 4.441 20 0 IIADRO FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904770 721696540 /nfs/dbraw/zinc/69/65/40/721696540.db2.gz GIWGCOSDRRMMRZ-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO CSc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913841 721734787 /nfs/dbraw/zinc/73/47/87/721734787.db2.gz YVWQRXYGUSMBBF-JOCHJYFZSA-N 1 0 441.551 4.484 20 0 IIADRO CSc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912685 721736699 /nfs/dbraw/zinc/73/66/99/721736699.db2.gz PKJKVLBPJMSLTI-IBGZPJMESA-N 1 0 437.585 4.053 20 0 IIADRO CCCSc1ncnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164913111 721737167 /nfs/dbraw/zinc/73/71/67/721737167.db2.gz SZTDITNSLADHGH-NRFANRHFSA-N 1 0 449.571 4.120 20 0 IIADRO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001165027308 721802266 /nfs/dbraw/zinc/80/22/66/721802266.db2.gz VLIXZNKCKKUIMZ-FTBPSBKWSA-N 1 0 443.595 4.422 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@H]21 ZINC001165025804 721804982 /nfs/dbraw/zinc/80/49/82/721804982.db2.gz PFELISZSOLDGGG-GMKZXUHWSA-N 1 0 429.568 4.188 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001165025396 721808099 /nfs/dbraw/zinc/80/80/99/721808099.db2.gz NXXTULQXWLMTSR-CEWLAPEOSA-N 1 0 434.975 4.324 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165025902 721808960 /nfs/dbraw/zinc/80/89/60/721808960.db2.gz ODYNQTNVCMHZNJ-NKKJXINNSA-N 1 0 430.552 4.153 20 0 IIADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1)C1CC1 ZINC001165018871 721822485 /nfs/dbraw/zinc/82/24/85/721822485.db2.gz AOLZKMFUBHKVNH-LFBFJMOVSA-N 1 0 448.611 4.270 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001165025738 721824589 /nfs/dbraw/zinc/82/45/89/721824589.db2.gz NOTOHVMHVDJTJJ-QKYXUNIQSA-N 1 0 447.961 4.296 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3nccc(Cl)c3cn2)CC1 ZINC001165019276 721840903 /nfs/dbraw/zinc/84/09/03/721840903.db2.gz CBBBOAFFLXJROB-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931233 721856161 /nfs/dbraw/zinc/85/61/61/721856161.db2.gz UJSRPRKFZBQDGA-FGZHOGPDSA-N 1 0 439.966 4.304 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927152 721856373 /nfs/dbraw/zinc/85/63/73/721856373.db2.gz JNZGMEMPSNQWST-YADHBBJMSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927444 721864253 /nfs/dbraw/zinc/86/42/53/721864253.db2.gz VRDVCLZTFWRFBP-YADHBBJMSA-N 1 0 449.002 4.074 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164923103 721867638 /nfs/dbraw/zinc/86/76/38/721867638.db2.gz ICXXNIAPMXFOCE-PMACEKPBSA-N 1 0 436.934 4.041 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933018 721885759 /nfs/dbraw/zinc/88/57/59/721885759.db2.gz KVGKIPUPECEKDS-DQEYMECFSA-N 1 0 429.568 4.151 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164938893 721925460 /nfs/dbraw/zinc/92/54/60/721925460.db2.gz AAJWTPDFUCFJIP-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO COC(=O)c1ccc2cc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ncc2c1 ZINC001164940194 721930548 /nfs/dbraw/zinc/93/05/48/721930548.db2.gz RMVJOWSFNHCKDK-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048777 721973789 /nfs/dbraw/zinc/97/37/89/721973789.db2.gz LAYYCBFHYYHPBV-ZQGDAAQZSA-N 1 0 442.604 4.097 20 0 IIADRO CCOC(=O)c1cc2c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164956193 722019478 /nfs/dbraw/zinc/01/94/78/722019478.db2.gz XUSGKEBCQNQYKP-UHFFFAOYSA-N 1 0 447.583 4.244 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963077 722056107 /nfs/dbraw/zinc/05/61/07/722056107.db2.gz HAPMOMUTPZAMJI-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960710 722057822 /nfs/dbraw/zinc/05/78/22/722057822.db2.gz IPLIFESHLTYSFI-UHFFFAOYSA-N 1 0 443.551 4.198 20 0 IIADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976372 722116673 /nfs/dbraw/zinc/11/66/73/722116673.db2.gz LMCAVLOAYCXJFY-OXJNMPFZSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1ccc(F)c2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975319 722156946 /nfs/dbraw/zinc/15/69/46/722156946.db2.gz SHSCPZJOKWWIDQ-JXFKEZNVSA-N 1 0 444.913 4.289 20 0 IIADRO CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995733 722197079 /nfs/dbraw/zinc/19/70/79/722197079.db2.gz XKSQLEUSAUHEIR-QHCPKHFHSA-N 1 0 427.524 4.208 20 0 IIADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995937 722207842 /nfs/dbraw/zinc/20/78/42/722207842.db2.gz QEPMOLQBYVHOHS-FNZWTVRRSA-N 1 0 436.575 4.338 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164995971 722207984 /nfs/dbraw/zinc/20/79/84/722207984.db2.gz QSFMLDHBOWRCSP-AREMUKBSSA-N 1 0 436.575 4.338 20 0 IIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000479477074 1126094635 /nfs/dbraw/zinc/09/46/35/1126094635.db2.gz RLPWUOKLASVMTJ-JOCHJYFZSA-N 1 0 443.547 4.250 20 0 IIADRO CCOc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC000500244346 1126095259 /nfs/dbraw/zinc/09/52/59/1126095259.db2.gz FKQOQBLPQJUQKM-HNNXBMFYSA-N 1 0 448.279 4.282 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000604766751 1126100396 /nfs/dbraw/zinc/10/03/96/1126100396.db2.gz PHRYBHORYPPKGF-QGZVFWFLSA-N 1 0 425.330 4.014 20 0 IIADRO Cc1cc(Br)cn2c(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cnc12 ZINC000680121405 1126105856 /nfs/dbraw/zinc/10/58/56/1126105856.db2.gz VLONDYFZJZNPAG-SJORKVTESA-N 1 0 442.279 4.029 20 0 IIADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000800238818 1126110537 /nfs/dbraw/zinc/11/05/37/1126110537.db2.gz JQNDKWYKCHQHSD-LSDHHAIUSA-N 1 0 431.480 4.114 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001197304417 1126154344 /nfs/dbraw/zinc/15/43/44/1126154344.db2.gz LZWDCGACGXSTFP-DEOSSOPVSA-N 1 0 435.549 4.156 20 0 IIADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)o2)C1 ZINC001179277629 1126151618 /nfs/dbraw/zinc/15/16/18/1126151618.db2.gz KJRCFCIMLPNJQC-DFBJGRDBSA-N 1 0 446.563 4.060 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001203284251 1126158575 /nfs/dbraw/zinc/15/85/75/1126158575.db2.gz ZGZLIJBIQPJGPR-GOSISDBHSA-N 1 0 443.179 4.304 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(O)c1Br ZINC001308478792 1126166308 /nfs/dbraw/zinc/16/63/08/1126166308.db2.gz BTZGIBIDOVHZMV-QGZVFWFLSA-N 1 0 429.152 4.001 20 0 IIADRO COc1cc(Cl)c(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001308480525 1126167092 /nfs/dbraw/zinc/16/70/92/1126167092.db2.gz ZQOFDIWKWARSEW-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460863024 1126192666 /nfs/dbraw/zinc/19/26/66/1126192666.db2.gz VGCMRZQZBFHXOW-FQEVSTJZSA-N 1 0 437.403 4.306 20 0 IIADRO Cc1cc2oc(=O)cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)c2cc1C ZINC001460867990 1126192826 /nfs/dbraw/zinc/19/28/26/1126192826.db2.gz LFDHOXTYBLOMTG-QFIPXVFZSA-N 1 0 430.342 4.256 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998125 1126201220 /nfs/dbraw/zinc/20/12/20/1126201220.db2.gz BHDKYNNWDOYWTF-YJBOKZPZSA-N 1 0 437.380 4.260 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(OCC(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001474208591 1126202614 /nfs/dbraw/zinc/20/26/14/1126202614.db2.gz KNGAGSFUMADCMU-FQEVSTJZSA-N 1 0 426.301 4.103 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1I ZINC001560182179 1126208394 /nfs/dbraw/zinc/20/83/94/1126208394.db2.gz BBGDYCJKMFKTDZ-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001560183875 1126209713 /nfs/dbraw/zinc/20/97/13/1126209713.db2.gz ZAMIPNKHDLYZJY-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001560548472 1126212520 /nfs/dbraw/zinc/21/25/20/1126212520.db2.gz PQDBRODPJAANEL-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC001560548585 1126212837 /nfs/dbraw/zinc/21/28/37/1126212837.db2.gz TWRDFUFUMIEVHB-QFIPXVFZSA-N 1 0 444.373 4.035 20 0 IIADRO CN(C)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC001620624507 1126241852 /nfs/dbraw/zinc/24/18/52/1126241852.db2.gz YUXZSQHBQCFTKL-JOCHJYFZSA-N 1 0 428.374 4.147 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CCC12CC[NH2+]CC2 ZINC001164388262 718815079 /nfs/dbraw/zinc/81/50/79/718815079.db2.gz OAOQMQQHAVPXLN-MRXNPFEDSA-N 1 0 447.839 4.248 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CCC12CC[NH2+]CC2 ZINC001164389640 718815312 /nfs/dbraw/zinc/81/53/12/718815312.db2.gz XFONUNYGDVYJEN-MRXNPFEDSA-N 1 0 447.839 4.248 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(-c3ccco3)nnc2Cl)CCC12CC[NH2+]CC2 ZINC001164387817 718815597 /nfs/dbraw/zinc/81/55/97/718815597.db2.gz ITQUPHGULHDCKN-OAHLLOKOSA-N 1 0 436.812 4.446 20 0 IIADRO Clc1ncc2c(c1N1CC[C@H]3COC[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164389122 718818555 /nfs/dbraw/zinc/81/85/55/718818555.db2.gz TZEQXQLJAKXRDN-VQTJNVASSA-N 1 0 439.987 4.229 20 0 IIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164414625 718881285 /nfs/dbraw/zinc/88/12/85/718881285.db2.gz VFLCWHDYJFSRAS-CQSZACIVSA-N 1 0 447.839 4.390 20 0 IIADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1C ZINC001164423286 718944927 /nfs/dbraw/zinc/94/49/27/718944927.db2.gz GUTTZZLIFMCWGU-LEWJYISDSA-N 1 0 433.625 4.370 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164617769 719007013 /nfs/dbraw/zinc/00/70/13/719007013.db2.gz PDQQULGQZBEXTE-KUHUBIRLSA-N 1 0 448.341 4.083 20 0 IIADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)C1 ZINC001164615841 719037299 /nfs/dbraw/zinc/03/72/99/719037299.db2.gz PZNNCRSGAJJCMU-QGZVFWFLSA-N 1 0 439.673 4.238 20 0 IIADRO CCOC(Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OCC ZINC001164619189 719078431 /nfs/dbraw/zinc/07/84/31/719078431.db2.gz CJOHUIMUFLNDCM-CTNGQTDRSA-N 1 0 445.007 4.172 20 0 IIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624942 719107794 /nfs/dbraw/zinc/10/77/94/719107794.db2.gz FPXQGWUYEVLRJD-MSOLQXFVSA-N 1 0 445.901 4.431 20 0 IIADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164621646 719127399 /nfs/dbraw/zinc/12/73/99/719127399.db2.gz NBFVSGPJBGRTPG-KSSFIOAISA-N 1 0 425.882 4.469 20 0 IIADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679544 719645066 /nfs/dbraw/zinc/64/50/66/719645066.db2.gz GARFVMMJYZPJGD-UHFFFAOYSA-N 1 0 438.579 4.482 20 0 IIADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681362 719650989 /nfs/dbraw/zinc/65/09/89/719650989.db2.gz MJVATQIZLXGEAS-UHFFFAOYSA-N 1 0 447.370 4.247 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC001164680254 719656761 /nfs/dbraw/zinc/65/67/61/719656761.db2.gz DQGPRGVSHSGCNW-QFIPXVFZSA-N 1 0 442.607 4.328 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164683060 719707476 /nfs/dbraw/zinc/70/74/76/719707476.db2.gz IBAGEUYLFKUKBF-UHFFFAOYSA-N 1 0 448.945 4.128 20 0 IIADRO COC(=O)c1ccc2ccnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164693013 719807247 /nfs/dbraw/zinc/80/72/47/719807247.db2.gz OXVPNSWYNUUJCR-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc(OCc4ccccc4)cn2)CC3)cs1 ZINC001164692058 719811745 /nfs/dbraw/zinc/81/17/45/719811745.db2.gz KZQZOSUCCLSFLF-UHFFFAOYSA-N 1 0 435.597 4.456 20 0 IIADRO CCOC(=O)c1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ccc1Cl ZINC001164692816 719812165 /nfs/dbraw/zinc/81/21/65/719812165.db2.gz SFHRHFVDIXTAAT-UHFFFAOYSA-N 1 0 434.993 4.312 20 0 IIADRO Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694608 719886743 /nfs/dbraw/zinc/88/67/43/719886743.db2.gz AXNCZAJWHFUOMZ-UHFFFAOYSA-N 1 0 431.911 4.352 20 0 IIADRO FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695263 719889980 /nfs/dbraw/zinc/88/99/80/719889980.db2.gz KIRQLLWSSCAAGD-UHFFFAOYSA-N 1 0 429.920 4.093 20 0 IIADRO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2)n1 ZINC001164707125 719901276 /nfs/dbraw/zinc/90/12/76/719901276.db2.gz NWQZGADBEYQBSY-UHFFFAOYSA-N 1 0 439.585 4.188 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164710732 720102668 /nfs/dbraw/zinc/10/26/68/720102668.db2.gz LMMRIOJSYVNBIK-FQEVSTJZSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810442 720103068 /nfs/dbraw/zinc/10/30/68/720103068.db2.gz JTDNWVQTMODSNH-CUNXSJBXSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164719599 720109565 /nfs/dbraw/zinc/10/95/65/720109565.db2.gz ZKJHSYHSDBJQQR-FQEVSTJZSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164814902 720113609 /nfs/dbraw/zinc/11/36/09/720113609.db2.gz TYKNDWBAFXDWIX-READRUSDSA-N 1 0 426.630 4.001 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164717349 720113830 /nfs/dbraw/zinc/11/38/30/720113830.db2.gz NMEKZYOLZRHOGN-OAQYLSRUSA-N 1 0 437.975 4.186 20 0 IIADRO CCc1c(Cl)nnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1CC ZINC001164717407 720120656 /nfs/dbraw/zinc/12/06/56/720120656.db2.gz ONEZIEDWISHRSY-IBGZPJMESA-N 1 0 444.023 4.157 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164718590 720125249 /nfs/dbraw/zinc/12/52/49/720125249.db2.gz SYBULGIAESZUTM-JOCHJYFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164711199 720136302 /nfs/dbraw/zinc/13/63/02/720136302.db2.gz FZJYKFBVXUKNTN-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813696 720167296 /nfs/dbraw/zinc/16/72/96/720167296.db2.gz DMRXKGBDBQLAME-SBUREZEXSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812404 720170903 /nfs/dbraw/zinc/17/09/03/720170903.db2.gz AKCPOEODLURVAD-UQBPGWFLSA-N 1 0 440.657 4.453 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812403 720170957 /nfs/dbraw/zinc/17/09/57/720170957.db2.gz AKCPOEODLURVAD-KBMIEXCESA-N 1 0 440.657 4.453 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818450 720178791 /nfs/dbraw/zinc/17/87/91/720178791.db2.gz SVCGEMYDMDQKFP-MBSDFSHPSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816683 720182138 /nfs/dbraw/zinc/18/21/38/720182138.db2.gz MEEMXTLBMGDLKX-CUNXSJBXSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814148 720202351 /nfs/dbraw/zinc/20/23/51/720202351.db2.gz SYQIJZLRJDDRKV-QUCCMNQESA-N 1 0 425.951 4.040 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826586 720309487 /nfs/dbraw/zinc/30/94/87/720309487.db2.gz VSDZACRQKWVKCD-SFTDATJTSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001164830772 720317286 /nfs/dbraw/zinc/31/72/86/720317286.db2.gz PVLGNLOUZASBFQ-FCHUYYIVSA-N 1 0 439.003 4.314 20 0 IIADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2cc(Cl)ccc12 ZINC001164827891 720327481 /nfs/dbraw/zinc/32/74/81/720327481.db2.gz IZMOXQZAKSUSBI-YADHBBJMSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827273 720329272 /nfs/dbraw/zinc/32/92/72/720329272.db2.gz HIZRTGYPMBYXPT-IRXDYDNUSA-N 1 0 433.021 4.170 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725757 720427917 /nfs/dbraw/zinc/42/79/17/720427917.db2.gz AXMTXOXXAFRHLU-ZEQRLZLVSA-N 1 0 428.536 4.092 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725743 720428053 /nfs/dbraw/zinc/42/80/53/720428053.db2.gz AXMTXOXXAFRHLU-BJKOFHAPSA-N 1 0 428.536 4.092 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725730 720439447 /nfs/dbraw/zinc/43/94/47/720439447.db2.gz AWCHEQHXZBRGCF-SFTDATJTSA-N 1 0 448.640 4.152 20 0 IIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726894 720444501 /nfs/dbraw/zinc/44/45/01/720444501.db2.gz CGFFSTSJMBTVGM-RBUKOAKNSA-N 1 0 425.895 4.310 20 0 IIADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164729623 720479658 /nfs/dbraw/zinc/47/96/58/720479658.db2.gz SAIAXVPHNQNLFP-VQTJNVASSA-N 1 0 437.931 4.179 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834386 720506689 /nfs/dbraw/zinc/50/66/89/720506689.db2.gz FVFRHHXODGRZJR-CMKODMSKSA-N 1 0 439.991 4.471 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834392 720506708 /nfs/dbraw/zinc/50/67/08/720506708.db2.gz FVFRHHXODGRZJR-WSTZPKSXSA-N 1 0 439.991 4.471 20 0 IIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1 ZINC001164729421 720518421 /nfs/dbraw/zinc/51/84/21/720518421.db2.gz NKOBMXXUZJJPLW-SFHVURJKSA-N 1 0 430.531 4.139 20 0 IIADRO Cc1ccc2nc(-c3ccccc3F)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1 ZINC001164729419 720518425 /nfs/dbraw/zinc/51/84/25/720518425.db2.gz NKOBMXXUZJJPLW-GOSISDBHSA-N 1 0 430.531 4.139 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)CC[C@@H]21 ZINC001164841259 720522151 /nfs/dbraw/zinc/52/21/51/720522151.db2.gz XYXORXHHKUVBRO-FKBYEOEOSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164733950 720524473 /nfs/dbraw/zinc/52/44/73/720524473.db2.gz NGZLVFCXRVMWTE-MRXNPFEDSA-N 1 0 438.626 4.431 20 0 IIADRO CC(C)(C)N([C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734020 720546113 /nfs/dbraw/zinc/54/61/13/720546113.db2.gz FZHUEOAJEYJYOV-LAUBAEHRSA-N 1 0 448.970 4.441 20 0 IIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164733187 720546669 /nfs/dbraw/zinc/54/66/69/720546669.db2.gz CAFQXEIQNAFDSS-AWEZNQCLSA-N 1 0 440.922 4.451 20 0 IIADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841534 720641100 /nfs/dbraw/zinc/64/11/00/720641100.db2.gz SPZNOUGBKFWOID-TXTKFYIRSA-N 1 0 434.563 4.165 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164837048 720711941 /nfs/dbraw/zinc/71/19/41/720711941.db2.gz DBYZVMMGGAASRK-IBGZPJMESA-N 1 0 434.609 4.440 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164840335 720720498 /nfs/dbraw/zinc/72/04/98/720720498.db2.gz PMJOAMCNKVCTDP-QHCPKHFHSA-N 1 0 435.616 4.117 20 0 IIADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836903 720738267 /nfs/dbraw/zinc/73/82/67/720738267.db2.gz IHIXIWZIGXAWFZ-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745215 720838304 /nfs/dbraw/zinc/83/83/04/720838304.db2.gz MWTWPNBYLVJTPM-JAXLGGSGSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751675 720871984 /nfs/dbraw/zinc/87/19/84/720871984.db2.gz LWPDTEICPXOIBZ-QPPBQGQZSA-N 1 0 426.992 4.194 20 0 IIADRO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754865 720873599 /nfs/dbraw/zinc/87/35/99/720873599.db2.gz UFEJELRHYQBNIL-ZEQKJWHPSA-N 1 0 435.616 4.059 20 0 IIADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853001 720875972 /nfs/dbraw/zinc/87/59/72/720875972.db2.gz BCCVSGHIIYSQFQ-RLWLMLJZSA-N 1 0 447.579 4.084 20 0 IIADRO c1ccc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164752933 720877881 /nfs/dbraw/zinc/87/78/81/720877881.db2.gz NNAIDNHPDQCQSL-VPUSJEBWSA-N 1 0 428.580 4.385 20 0 IIADRO c1cc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2s1 ZINC001164751593 720896091 /nfs/dbraw/zinc/89/60/91/720896091.db2.gz COSIGAVQCGOTAQ-DHLKQENFSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164752297 720909002 /nfs/dbraw/zinc/90/90/02/720909002.db2.gz NVJKYFFMUHZTJB-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO CCOc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OCC ZINC001164856973 720962516 /nfs/dbraw/zinc/96/25/16/720962516.db2.gz DFKLUAUAWZHERR-QGZVFWFLSA-N 1 0 438.576 4.045 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862587 720973574 /nfs/dbraw/zinc/97/35/74/720973574.db2.gz TUSXSHAZQUGSIU-OAHLLOKOSA-N 1 0 433.984 4.308 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@@H]2C ZINC001164864194 720977055 /nfs/dbraw/zinc/97/70/55/720977055.db2.gz ZGIDWXFHUWXCJX-CQSZACIVSA-N 1 0 445.930 4.074 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164861904 720996184 /nfs/dbraw/zinc/99/61/84/720996184.db2.gz RAZCURRVKKKIJM-LJQANCHMSA-N 1 0 447.583 4.462 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@@H]2C ZINC001164859509 721019594 /nfs/dbraw/zinc/01/95/94/721019594.db2.gz IUZPXHVRNGGFQG-GFCCVEGCSA-N 1 0 434.318 4.431 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4c(Cl)nc(Cl)nc4C(N)=O)CC3)CC2)cc1 ZINC001164758619 721044483 /nfs/dbraw/zinc/04/44/83/721044483.db2.gz ABPGEGHJEXPQBM-UHFFFAOYSA-N 1 0 448.398 4.073 20 0 IIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865531 721078151 /nfs/dbraw/zinc/07/81/51/721078151.db2.gz MLSXUSGZMNFOJV-UXHICEINSA-N 1 0 444.913 4.308 20 0 IIADRO Clc1ccc2ccc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880449 721179487 /nfs/dbraw/zinc/17/94/87/721179487.db2.gz WRWJLQXFKQCNCA-ZWKOTPCHSA-N 1 0 429.351 4.416 20 0 IIADRO Cc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778471 721329570 /nfs/dbraw/zinc/32/95/70/721329570.db2.gz XIOCVDZQXAVYRZ-QPPBQGQZSA-N 1 0 426.992 4.298 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776745 721341945 /nfs/dbraw/zinc/34/19/45/721341945.db2.gz CMDRTQKGXLVTCD-NRFANRHFSA-N 1 0 447.992 4.069 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc(Cl)ccc3n1)CC2 ZINC001164787873 721456081 /nfs/dbraw/zinc/45/60/81/721456081.db2.gz SRYPJILQKFABTN-FQEVSTJZSA-N 1 0 445.007 4.017 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793353 721488308 /nfs/dbraw/zinc/48/83/08/721488308.db2.gz QRBSOWVBNANLDQ-LFAGZIFBSA-N 1 0 440.563 4.085 20 0 IIADRO COc1cccc(-c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)c1 ZINC001164795005 721501041 /nfs/dbraw/zinc/50/10/41/721501041.db2.gz AADWCVVGHTUPKA-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895616 721505079 /nfs/dbraw/zinc/50/50/79/721505079.db2.gz DFWHUHQUVYUYKC-PKTZIBPZSA-N 1 0 433.600 4.056 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800671 721541888 /nfs/dbraw/zinc/54/18/88/721541888.db2.gz DCKKEDVAXWNXAQ-SJBKTWHCSA-N 1 0 426.923 4.291 20 0 IIADRO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810499 721554870 /nfs/dbraw/zinc/55/48/70/721554870.db2.gz YNJWFHKOGZJWOL-FUPPJEDESA-N 1 0 438.959 4.160 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@@H+]3C2)c1 ZINC001164910332 721560825 /nfs/dbraw/zinc/56/08/25/721560825.db2.gz WHDCVOPWRZMAFA-WBVHZDCISA-N 1 0 433.314 4.418 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164805837 721567492 /nfs/dbraw/zinc/56/74/92/721567492.db2.gz PCGKNDJLVYRFKR-FUDKSRODSA-N 1 0 438.959 4.160 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164800080 721588828 /nfs/dbraw/zinc/58/88/28/721588828.db2.gz BNZHWPOKHKHLSI-VIZSFHNOSA-N 1 0 426.923 4.291 20 0 IIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903762 721697279 /nfs/dbraw/zinc/69/72/79/721697279.db2.gz CCLCGOFRKHVZBI-FQEVSTJZSA-N 1 0 432.906 4.052 20 0 IIADRO FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906134 721698593 /nfs/dbraw/zinc/69/85/93/721698593.db2.gz LTLPLKMALJOGPJ-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905448 721700746 /nfs/dbraw/zinc/70/07/46/721700746.db2.gz JICYZCWXIVJGPQ-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911233 721732455 /nfs/dbraw/zinc/73/24/55/721732455.db2.gz JAUVTWQIRZFRPU-HSZRJFAPSA-N 1 0 437.494 4.402 20 0 IIADRO COc1cc(C)c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164912693 721739347 /nfs/dbraw/zinc/73/93/47/721739347.db2.gz PMPRQZZITYCKJX-HSZRJFAPSA-N 1 0 439.510 4.080 20 0 IIADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001165009425 721743794 /nfs/dbraw/zinc/74/37/94/721743794.db2.gz CQRAKXWCSRCSLY-UHFFFAOYSA-N 1 0 428.580 4.425 20 0 IIADRO COc1nnc(Cl)cc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014210 721768368 /nfs/dbraw/zinc/76/83/68/721768368.db2.gz FDDDQLSJHXGANH-UHFFFAOYSA-N 1 0 431.830 4.195 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028232 721811563 /nfs/dbraw/zinc/81/15/63/721811563.db2.gz WSENLEGRKPHJDZ-WMQCIHAUSA-N 1 0 442.991 4.352 20 0 IIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165025680 721823631 /nfs/dbraw/zinc/82/36/31/721823631.db2.gz NJRPPYPLWAJCGC-QUURXOELSA-N 1 0 429.568 4.284 20 0 IIADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019939 721825620 /nfs/dbraw/zinc/82/56/20/721825620.db2.gz CNXYFBVDEIYCQX-BPUDTRNYSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001165024434 721825906 /nfs/dbraw/zinc/82/59/06/721825906.db2.gz JVQAVYVCBJFCPQ-YXJHDRRASA-N 1 0 446.933 4.288 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3nccc(Cl)c3n2)CC1 ZINC001165020227 721843044 /nfs/dbraw/zinc/84/30/44/721843044.db2.gz ADNGCBQBGNPNGI-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921537 721872758 /nfs/dbraw/zinc/87/27/58/721872758.db2.gz DDYVTVSPCLYLKU-QZTJIDSGSA-N 1 0 428.005 4.226 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164933976 721890554 /nfs/dbraw/zinc/89/05/54/721890554.db2.gz NTQBLZGAHCGWJJ-DLBZAZTESA-N 1 0 426.964 4.223 20 0 IIADRO CCc1c(Cl)nnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1CC ZINC001164938897 721926662 /nfs/dbraw/zinc/92/66/62/721926662.db2.gz AFHBCRBTUNZHGY-UHFFFAOYSA-N 1 0 429.008 4.435 20 0 IIADRO COc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc(C)c2c1 ZINC001164938649 721927914 /nfs/dbraw/zinc/92/79/14/721927914.db2.gz CQXJFCCJTSVIKI-UHFFFAOYSA-N 1 0 432.568 4.127 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nn2)s1 ZINC001164940663 721932428 /nfs/dbraw/zinc/93/24/28/721932428.db2.gz WGQHWFQIJZCUQP-UHFFFAOYSA-N 1 0 449.624 4.397 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164942327 721933023 /nfs/dbraw/zinc/93/30/23/721933023.db2.gz LNFOJAKISBRMQO-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO Cc1nc2c(cc(-c3nc(N4CCC(C[NH+](C)C)CC4)ncc3F)cc2F)n1C(C)C ZINC001165042622 721945480 /nfs/dbraw/zinc/94/54/80/721945480.db2.gz VKCLXGNNIVGZEQ-UHFFFAOYSA-N 1 0 428.531 4.439 20 0 IIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1 ZINC001165053908 722010460 /nfs/dbraw/zinc/01/04/60/722010460.db2.gz OZRALPPJGFHOSM-UHFFFAOYSA-N 1 0 443.526 4.204 20 0 IIADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955896 722018808 /nfs/dbraw/zinc/01/88/08/722018808.db2.gz RQFQICQFRFOYLP-UHFFFAOYSA-N 1 0 442.007 4.151 20 0 IIADRO Clc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980725 722099650 /nfs/dbraw/zinc/09/96/50/722099650.db2.gz KAPJTMXTYGNODG-OXJNMPFZSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985264 722107992 /nfs/dbraw/zinc/10/79/92/722107992.db2.gz VWIYKHXREHYYGY-VGOFRKELSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970911 722112493 /nfs/dbraw/zinc/11/24/93/722112493.db2.gz AMFFNPNXLJBSEE-VQIMIIECSA-N 1 0 444.366 4.059 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973063 722116583 /nfs/dbraw/zinc/11/65/83/722116583.db2.gz GGVKOOJKJDEAIW-MBSDFSHPSA-N 1 0 438.959 4.019 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976089 722145271 /nfs/dbraw/zinc/14/52/71/722145271.db2.gz HAXNIRSPULDYLY-VXKWHMMOSA-N 1 0 449.986 4.228 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974682 722159137 /nfs/dbraw/zinc/15/91/37/722159137.db2.gz OWUMDDJHXCVMKJ-FDDCHVKYSA-N 1 0 438.959 4.019 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994349 722211207 /nfs/dbraw/zinc/21/12/07/722211207.db2.gz AXEQBHVSQFNOCA-FQEVSTJZSA-N 1 0 433.318 4.111 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)ccc3ccc(Cl)nc31)CCC2 ZINC001165004520 722257638 /nfs/dbraw/zinc/25/76/38/722257638.db2.gz TZLKQCDLTFOUOM-UHFFFAOYSA-N 1 0 434.371 4.227 20 0 IIADRO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc(Br)c1OC(F)F ZINC000466899078 1126093699 /nfs/dbraw/zinc/09/36/99/1126093699.db2.gz GJNIOWBSZVEGIC-HNNXBMFYSA-N 1 0 430.289 4.061 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001176588020 1126149867 /nfs/dbraw/zinc/14/98/67/1126149867.db2.gz QIFIUDWMGATBQK-QHCPKHFHSA-N 1 0 445.401 4.159 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001179278654 1126152085 /nfs/dbraw/zinc/15/20/85/1126152085.db2.gz WDQGRUJYIHIISR-XMMPIXPASA-N 1 0 446.613 4.133 20 0 IIADRO CN(C)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c2ccccc21 ZINC001196103202 1126153583 /nfs/dbraw/zinc/15/35/83/1126153583.db2.gz AUZFHPZIEJDVET-HSZRJFAPSA-N 1 0 440.385 4.073 20 0 IIADRO OC[C@]1([NH2+]Cc2cc(F)ccc2OC(F)F)CCc2cc(Br)ccc2C1 ZINC001196103341 1126153584 /nfs/dbraw/zinc/15/35/84/1126153584.db2.gz DGKRNLXRSZQGJW-IBGZPJMESA-N 1 0 430.264 4.199 20 0 IIADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(C(F)(F)F)c1 ZINC001203119176 1126157574 /nfs/dbraw/zinc/15/75/74/1126157574.db2.gz PKOUSLVGDNAHGF-IBGZPJMESA-N 1 0 444.291 4.486 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001308117410 1126163326 /nfs/dbraw/zinc/16/33/26/1126163326.db2.gz JDCRXPPYVUKNQO-IBGZPJMESA-N 1 0 425.838 4.091 20 0 IIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)c2cc1C ZINC001460867988 1126192869 /nfs/dbraw/zinc/19/28/69/1126192869.db2.gz LFDHOXTYBLOMTG-JOCHJYFZSA-N 1 0 430.342 4.256 20 0 IIADRO CCc1cc2oc(=O)cc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)c2cc1Cl ZINC001460868607 1126193124 /nfs/dbraw/zinc/19/31/24/1126193124.db2.gz MQJHKAHAEPQVPE-XMMPIXPASA-N 1 0 445.943 4.109 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001461670835 1126195820 /nfs/dbraw/zinc/19/58/20/1126195820.db2.gz ILHRNHHGAYZUIT-OAQYLSRUSA-N 1 0 448.792 4.431 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(OC(F)F)c(F)c2)CCc2cc(Br)ccc2C1 ZINC001474210188 1126202718 /nfs/dbraw/zinc/20/27/18/1126202718.db2.gz VJIPZRVRXSMNEA-LJQANCHMSA-N 1 0 430.264 4.199 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC001560182092 1126208279 /nfs/dbraw/zinc/20/82/79/1126208279.db2.gz ABYSMFBLDPTCFL-FQEVSTJZSA-N 1 0 440.765 4.347 20 0 IIADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1OC(F)F ZINC001560548382 1126212450 /nfs/dbraw/zinc/21/24/50/1126212450.db2.gz MMCBQKNMOHEWNC-LJQANCHMSA-N 1 0 430.289 4.142 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(Br)c(F)c2)CCc2cc(Br)ccc2C1 ZINC001621005162 1126244460 /nfs/dbraw/zinc/24/44/60/1126244460.db2.gz VDBWDYLNXLLHBK-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789700 1126242837 /nfs/dbraw/zinc/24/28/37/1126242837.db2.gz GJWFJXDWBPNPPF-NZQKXSOJSA-N 1 0 446.469 4.293 20 0 IIADRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001621004730 1126244251 /nfs/dbraw/zinc/24/42/51/1126244251.db2.gz HUFHQTXVAXTJLD-QHCPKHFHSA-N 1 0 440.385 4.261 20 0 IIADRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000043073441 563118193 /nfs/dbraw/zinc/11/81/93/563118193.db2.gz GZACZULYTMPTEI-GOSISDBHSA-N 1 0 429.866 4.082 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164618187 719006966 /nfs/dbraw/zinc/00/69/66/719006966.db2.gz QQUUYXLZJVGREF-KXBFYZLASA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164614218 719007077 /nfs/dbraw/zinc/00/70/77/719007077.db2.gz DJKNFYQKXVXNJT-IFXJQAMLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC2)CC1 ZINC001164617613 719035880 /nfs/dbraw/zinc/03/58/80/719035880.db2.gz NLNJNSCLGUIWPV-UHFFFAOYSA-N 1 0 441.950 4.013 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624458 719047680 /nfs/dbraw/zinc/04/76/80/719047680.db2.gz OBLCTCBLJDNSHW-LVXARBLLSA-N 1 0 447.652 4.487 20 0 IIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621035 719078684 /nfs/dbraw/zinc/07/86/84/719078684.db2.gz GLKICGUHCQUPCT-RXVVDRJESA-N 1 0 436.943 4.171 20 0 IIADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624930 719084511 /nfs/dbraw/zinc/08/45/11/719084511.db2.gz MAFZNTIUGURWFF-FYYLOGMGSA-N 1 0 442.542 4.115 20 0 IIADRO Cc1ccc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680980 719661232 /nfs/dbraw/zinc/66/12/32/719661232.db2.gz KNOSLMDKYRQQIB-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccnc(NC(=O)OC(C)(C)C)n2)CC3)cs1 ZINC001164692475 719806330 /nfs/dbraw/zinc/80/63/30/719806330.db2.gz HWHNRVHHMMVZOI-UHFFFAOYSA-N 1 0 444.605 4.224 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164694524 719809255 /nfs/dbraw/zinc/80/92/55/719809255.db2.gz ZLVUTURUGCYKSA-UHFFFAOYSA-N 1 0 434.993 4.312 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692186 719814791 /nfs/dbraw/zinc/81/47/91/719814791.db2.gz NIBRGTDFXBRPBU-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164711695 720104594 /nfs/dbraw/zinc/10/45/94/720104594.db2.gz SRBKQCXQSORQCJ-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164814906 720113394 /nfs/dbraw/zinc/11/33/94/720113394.db2.gz TYKNDWBAFXDWIX-YLNUKYHNSA-N 1 0 426.630 4.001 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164712203 720139325 /nfs/dbraw/zinc/13/93/25/720139325.db2.gz KWFFMNTZPZDWIW-XMMPIXPASA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164712592 720151337 /nfs/dbraw/zinc/15/13/37/720151337.db2.gz NSFONLXDMNYNHU-QHCPKHFHSA-N 1 0 436.600 4.053 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810745 720207219 /nfs/dbraw/zinc/20/72/19/720207219.db2.gz CKWLYJVTUWDSIO-HXOBKFHXSA-N 1 0 433.955 4.221 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816827 720259467 /nfs/dbraw/zinc/25/94/67/720259467.db2.gz MYHUHLAXBIYAJQ-FSSWDIPSSA-N 1 0 439.629 4.163 20 0 IIADRO FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@]12CCN(c1ccccc1)C2 ZINC001164822235 720395254 /nfs/dbraw/zinc/39/52/54/720395254.db2.gz KUYHVJQJGCBPFI-XMMPIXPASA-N 1 0 442.554 4.298 20 0 IIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164735724 720436953 /nfs/dbraw/zinc/43/69/53/720436953.db2.gz YCEWAZLJROIKRZ-QZTJIDSGSA-N 1 0 425.895 4.310 20 0 IIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164727091 720437402 /nfs/dbraw/zinc/43/74/02/720437402.db2.gz DBEZNSIQAUOFAP-BJKOFHAPSA-N 1 0 438.579 4.345 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733275 720503680 /nfs/dbraw/zinc/50/36/80/720503680.db2.gz ZOICGZKGASCXPF-PLXFJCCSSA-N 1 0 449.599 4.038 20 0 IIADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164834384 720526639 /nfs/dbraw/zinc/52/66/39/720526639.db2.gz FTNMDXVAQHPOLA-XYJFISCASA-N 1 0 431.009 4.227 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]21 ZINC001164834562 720533980 /nfs/dbraw/zinc/53/39/80/720533980.db2.gz DUSSLJNEDMRFPO-SIFCLUCFSA-N 1 0 446.933 4.136 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835817 720552145 /nfs/dbraw/zinc/55/21/45/720552145.db2.gz HWPGYCUAMJKFMB-RRPUWOKSSA-N 1 0 433.604 4.121 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835815 720552838 /nfs/dbraw/zinc/55/28/38/720552838.db2.gz HWPGYCUAMJKFMB-IEIRFRATSA-N 1 0 433.604 4.121 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]21 ZINC001164835927 720598971 /nfs/dbraw/zinc/59/89/71/720598971.db2.gz CSSQZMDAHCOGSB-HJOGWXRNSA-N 1 0 431.584 4.235 20 0 IIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164842884 720599656 /nfs/dbraw/zinc/59/96/56/720599656.db2.gz WFEMKFJFGZFAJY-NLWGTHIKSA-N 1 0 436.629 4.063 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840250 720618948 /nfs/dbraw/zinc/61/89/48/720618948.db2.gz PKTHKZPEWFAENY-ABSDTBQOSA-N 1 0 426.515 4.142 20 0 IIADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835937 720620270 /nfs/dbraw/zinc/62/02/70/720620270.db2.gz CWNWXKOUFUMRRD-SONWIMMPSA-N 1 0 430.600 4.280 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(SCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839298 720631772 /nfs/dbraw/zinc/63/17/72/720631772.db2.gz NEXSMUNGICZNFR-RJGXRXQPSA-N 1 0 448.640 4.343 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]21 ZINC001164837617 720644595 /nfs/dbraw/zinc/64/45/95/720644595.db2.gz DKMJPEMJEIZQCE-ULQDDVLXSA-N 1 0 435.403 4.235 20 0 IIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842455 720661327 /nfs/dbraw/zinc/66/13/27/720661327.db2.gz RQLJUPNBTBBAJI-SFHVURJKSA-N 1 0 436.934 4.243 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164840411 720688522 /nfs/dbraw/zinc/68/85/22/720688522.db2.gz DMGAGMLEBALSPX-XMMPIXPASA-N 1 0 444.579 4.316 20 0 IIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccn2)n1 ZINC001164838321 720709297 /nfs/dbraw/zinc/70/92/97/720709297.db2.gz HZEHGFPGGLBRQB-QFIPXVFZSA-N 1 0 429.568 4.107 20 0 IIADRO CCCSc1ncnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164842332 720727220 /nfs/dbraw/zinc/72/72/20/720727220.db2.gz YIVWSVBVTWTXES-FQEVSTJZSA-N 1 0 442.629 4.247 20 0 IIADRO Fc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757433 720884118 /nfs/dbraw/zinc/88/41/18/720884118.db2.gz UPSPASUHFVFFGX-WMZHIEFXSA-N 1 0 430.955 4.024 20 0 IIADRO Cc1cc2cccnc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753807 720927817 /nfs/dbraw/zinc/92/78/17/720927817.db2.gz UDGZMMXKEZQLJB-RPLLCQBOSA-N 1 0 443.595 4.088 20 0 IIADRO COC(=O)c1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164861897 720995454 /nfs/dbraw/zinc/99/54/54/720995454.db2.gz RAZCURRVKKKIJM-IBGZPJMESA-N 1 0 447.583 4.462 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@H]2C ZINC001164858816 721015073 /nfs/dbraw/zinc/01/50/73/721015073.db2.gz HMSDKZNTYVKQPK-INIZCTEOSA-N 1 0 433.585 4.371 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@H]2C ZINC001164860926 721017013 /nfs/dbraw/zinc/01/70/13/721017013.db2.gz LVEYTJVFWQBEJL-HNNXBMFYSA-N 1 0 433.984 4.308 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771190 721056100 /nfs/dbraw/zinc/05/61/00/721056100.db2.gz LXARDIPFBUQSDI-TZRRMPRUSA-N 1 0 433.600 4.102 20 0 IIADRO c1sc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164866058 721066331 /nfs/dbraw/zinc/06/63/31/721066331.db2.gz CEROQXOHUVYVKC-NHCUHLMSSA-N 1 0 443.576 4.233 20 0 IIADRO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)c1 ZINC001164866270 721066921 /nfs/dbraw/zinc/06/69/21/721066921.db2.gz DKQMEOWRVAHWSU-QZTJIDSGSA-N 1 0 449.605 4.295 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762958 721098243 /nfs/dbraw/zinc/09/82/43/721098243.db2.gz FPFAQDDWHCMJQT-IRXDYDNUSA-N 1 0 436.610 4.112 20 0 IIADRO Cc1ccc(-c2csc3ncnc(N4C[C@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@@H]5C4)c23)cc1 ZINC001164767293 721114285 /nfs/dbraw/zinc/11/42/85/721114285.db2.gz MINJFTBTJONJJG-NHCUHLMSSA-N 1 0 444.608 4.359 20 0 IIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866651 721115048 /nfs/dbraw/zinc/11/50/48/721115048.db2.gz UNHVTTFRYXEDQE-OALUTQOASA-N 1 0 444.913 4.308 20 0 IIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866707 721118191 /nfs/dbraw/zinc/11/81/91/721118191.db2.gz USRJRDLEHSLTKY-ROUUACIJSA-N 1 0 444.913 4.308 20 0 IIADRO Cc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778475 721329313 /nfs/dbraw/zinc/32/93/13/721329313.db2.gz XIOCVDZQXAVYRZ-ZJSXRUAMSA-N 1 0 426.992 4.298 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779031 721341055 /nfs/dbraw/zinc/34/10/55/721341055.db2.gz PBZXYJKFDSSOKR-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779370 721347165 /nfs/dbraw/zinc/34/71/65/721347165.db2.gz SRBFUTOOMCBRAY-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884332 721447906 /nfs/dbraw/zinc/44/79/06/721447906.db2.gz ASCGMSYXRFHVQH-JPYJTQIMSA-N 1 0 449.426 4.307 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164785300 721453982 /nfs/dbraw/zinc/45/39/82/721453982.db2.gz ILTZHKCIOKZFHS-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001164796712 721500105 /nfs/dbraw/zinc/50/01/05/721500105.db2.gz WDHYUOAZIWEXTK-UHFFFAOYSA-N 1 0 447.627 4.230 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164808942 721539811 /nfs/dbraw/zinc/53/98/11/721539811.db2.gz SNJNKXIAODVESJ-PQNGQFLHSA-N 1 0 435.959 4.060 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800675 721541654 /nfs/dbraw/zinc/54/16/54/721541654.db2.gz DCKKEDVAXWNXAQ-TUNNFDKTSA-N 1 0 426.923 4.291 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@@H+]3C2)c1 ZINC001164910797 721559576 /nfs/dbraw/zinc/55/95/76/721559576.db2.gz XLDZYQMUSARKGQ-HKUYNNGSSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@@H+]3C2)c1 ZINC001164910319 721560735 /nfs/dbraw/zinc/56/07/35/721560735.db2.gz WHDCVOPWRZMAFA-NVXWUHKLSA-N 1 0 433.314 4.418 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@@H]12 ZINC001164808336 721589845 /nfs/dbraw/zinc/58/98/45/721589845.db2.gz QSSNSKSGXPBQPB-KKLQWCBXSA-N 1 0 426.923 4.291 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@H]12 ZINC001164808338 721589919 /nfs/dbraw/zinc/58/99/19/721589919.db2.gz QSSNSKSGXPBQPB-XQFWAAQXSA-N 1 0 426.923 4.291 20 0 IIADRO FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904068 721692804 /nfs/dbraw/zinc/69/28/04/721692804.db2.gz CVDKPUABICLWDF-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906714 721695541 /nfs/dbraw/zinc/69/55/41/721695541.db2.gz PFNYSKSARPXEFR-QFIPXVFZSA-N 1 0 427.474 4.210 20 0 IIADRO FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907048 721698003 /nfs/dbraw/zinc/69/80/03/721698003.db2.gz QNBQANWTJGAEJT-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907398 721698280 /nfs/dbraw/zinc/69/82/80/721698280.db2.gz SFZINZHKIXKKNV-IBGZPJMESA-N 1 0 435.931 4.477 20 0 IIADRO FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905667 721698329 /nfs/dbraw/zinc/69/83/29/721698329.db2.gz KJNDAJPGCMWVLI-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCc1cc2c(ncnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905556 721702934 /nfs/dbraw/zinc/70/29/34/721702934.db2.gz JVOIKJUSIOCTJZ-NRFANRHFSA-N 1 0 429.540 4.386 20 0 IIADRO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913786 721730788 /nfs/dbraw/zinc/73/07/88/721730788.db2.gz XRXWKIQZXCOQHJ-QFIPXVFZSA-N 1 0 425.483 4.178 20 0 IIADRO CCc1nc2sccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912855 721731260 /nfs/dbraw/zinc/73/12/60/721731260.db2.gz QOZBHMPKTRSICI-OAQYLSRUSA-N 1 0 429.540 4.386 20 0 IIADRO Cc1ccc(-c2nnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c3ccccc32)cc1 ZINC001165010546 721744472 /nfs/dbraw/zinc/74/44/72/721744472.db2.gz OKAIAIXGFUHJAB-UHFFFAOYSA-N 1 0 443.595 4.128 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]21 ZINC001165026972 721801289 /nfs/dbraw/zinc/80/12/89/721801289.db2.gz TUMWFCHZWPBZRX-FRFSOERESA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]21 ZINC001165024522 721801641 /nfs/dbraw/zinc/80/16/41/721801641.db2.gz LNRVCJQFWFHLTR-VNQPRFMTSA-N 1 0 442.341 4.460 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026635 721801670 /nfs/dbraw/zinc/80/16/70/721801670.db2.gz RQIQMYKPIBJRGN-HFSMHLIXSA-N 1 0 442.991 4.352 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026633 721801765 /nfs/dbraw/zinc/80/17/65/721801765.db2.gz RQIQMYKPIBJRGN-DSKINZAPSA-N 1 0 442.991 4.352 20 0 IIADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025852 721811542 /nfs/dbraw/zinc/81/15/42/721811542.db2.gz NZBWMGKAFSTSAS-DBVUQKKJSA-N 1 0 437.975 4.424 20 0 IIADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029666 721813242 /nfs/dbraw/zinc/81/32/42/721813242.db2.gz ZYMXWXBMMREZMD-DKZVUGQWSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]21 ZINC001165026317 721822622 /nfs/dbraw/zinc/82/26/22/721822622.db2.gz OUISPOFZCRGSMW-NIRIFSCTSA-N 1 0 442.611 4.362 20 0 IIADRO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165025217 721824268 /nfs/dbraw/zinc/82/42/68/721824268.db2.gz MGJFADONTKJYGM-GRYUFTJMSA-N 1 0 429.568 4.284 20 0 IIADRO CCCSc1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165020748 721831263 /nfs/dbraw/zinc/83/12/63/721831263.db2.gz DOVFGXVDQKGQQE-SXLOBPIMSA-N 1 0 427.618 4.119 20 0 IIADRO CCCSc1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165020749 721831343 /nfs/dbraw/zinc/83/13/43/721831343.db2.gz DOVFGXVDQKGQQE-YSIASYRMSA-N 1 0 427.618 4.119 20 0 IIADRO O=C1Nc2c(cccc2F)C12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001165024143 721832896 /nfs/dbraw/zinc/83/28/96/721832896.db2.gz ZRNDVNWXJDEUAW-UHFFFAOYSA-N 1 0 442.538 4.269 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3cc(Cl)cnc3n2)CC1 ZINC001165019382 721840383 /nfs/dbraw/zinc/84/03/83/721840383.db2.gz FIKXZVQYWIGQFI-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CCOc1ccc2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165021213 721841582 /nfs/dbraw/zinc/84/15/82/721841582.db2.gz ICWGGOKLEWRGTQ-UHFFFAOYSA-N 1 0 436.556 4.147 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(C)nc(C3CC3)nc2Cl)CC1 ZINC001165022794 721843818 /nfs/dbraw/zinc/84/38/18/721843818.db2.gz UUXBHLPGVBZYOA-UHFFFAOYSA-N 1 0 430.980 4.434 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001165029787 721844906 /nfs/dbraw/zinc/84/49/06/721844906.db2.gz CZZIVMZJYQOAKF-UHFFFAOYSA-N 1 0 449.555 4.127 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927410 721868425 /nfs/dbraw/zinc/86/84/25/721868425.db2.gz UYNUOOGLRWCQDK-FGZHOGPDSA-N 1 0 439.966 4.304 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929252 721878906 /nfs/dbraw/zinc/87/89/06/721878906.db2.gz AWAVGJCEEBSSQJ-RBUKOAKNSA-N 1 0 428.005 4.226 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929533 721879760 /nfs/dbraw/zinc/87/97/60/721879760.db2.gz BQHDMIHJEDBOCX-IAGOWNOFSA-N 1 0 439.654 4.123 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164929441 721885209 /nfs/dbraw/zinc/88/52/09/721885209.db2.gz BLCXCXAPKUEOPM-PMACEKPBSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nnc(Cl)c5c4CCCC5)CC3)C2)cc1 ZINC001164939299 721925472 /nfs/dbraw/zinc/92/54/72/721925472.db2.gz HAGVHEPXAFUFQJ-UHFFFAOYSA-N 1 0 426.992 4.189 20 0 IIADRO COc1cc2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2cc1OC ZINC001164938992 721928003 /nfs/dbraw/zinc/92/80/03/721928003.db2.gz GEESPKVRSBTZGQ-UHFFFAOYSA-N 1 0 447.579 4.432 20 0 IIADRO CCCSc1ncnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1OC ZINC001164940799 721933814 /nfs/dbraw/zinc/93/38/14/721933814.db2.gz FCORCQZHRGXQGC-UHFFFAOYSA-N 1 0 442.629 4.167 20 0 IIADRO Clc1nc2c(c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n1)CN(Cc1ccccc1)C2 ZINC001165049750 721968084 /nfs/dbraw/zinc/96/80/84/721968084.db2.gz WNHMVMSJCLSOHE-HXUWFJFHSA-N 1 0 426.008 4.491 20 0 IIADRO COc1ccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)c(OC)c1OC ZINC001165046567 721977715 /nfs/dbraw/zinc/97/77/15/721977715.db2.gz ADQGIGFZXASNQR-SFHVURJKSA-N 1 0 426.561 4.014 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164948666 721998227 /nfs/dbraw/zinc/99/82/27/721998227.db2.gz ADCUFYPQHOQONY-HSZRJFAPSA-N 1 0 432.572 4.209 20 0 IIADRO CC[NH+](CC)C1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165053997 722005552 /nfs/dbraw/zinc/00/55/52/722005552.db2.gz WOFMVTFSIVSBDT-UHFFFAOYSA-N 1 0 427.662 4.477 20 0 IIADRO Clc1cc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)ccn1 ZINC001164960494 722053967 /nfs/dbraw/zinc/05/39/67/722053967.db2.gz PUKNBPBSFZAXBY-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO c1ccc(COc2cccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164960689 722059181 /nfs/dbraw/zinc/05/91/81/722059181.db2.gz HRPRDQKYNNDPJJ-UHFFFAOYSA-N 1 0 444.579 4.175 20 0 IIADRO Clc1cnc2cc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978192 722112097 /nfs/dbraw/zinc/11/20/97/722112097.db2.gz NTAZBNJOOBGGIR-IERDGZPVSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cnc2cc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978196 722112187 /nfs/dbraw/zinc/11/21/87/722112187.db2.gz NTAZBNJOOBGGIR-KKSFZXQISA-N 1 0 444.366 4.059 20 0 IIADRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973829 722118329 /nfs/dbraw/zinc/11/83/29/722118329.db2.gz HHQOLYZDNMOVCP-WZONZLPQSA-N 1 0 438.959 4.019 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980272 722131380 /nfs/dbraw/zinc/13/13/80/722131380.db2.gz MJRWSTPUSQNSHI-HKUYNNGSSA-N 1 0 428.989 4.380 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000523842094 1126095936 /nfs/dbraw/zinc/09/59/36/1126095936.db2.gz FRSMSUQTOKUSCJ-QGZVFWFLSA-N 1 0 425.330 4.014 20 0 IIADRO COc1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c2ccccc21 ZINC001171948638 1126148559 /nfs/dbraw/zinc/14/85/59/1126148559.db2.gz AMYOFGHHNYZCRD-QFIPXVFZSA-N 1 0 427.342 4.016 20 0 IIADRO Cc1ccc2c(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc(=O)oc2c1C ZINC001171949502 1126148566 /nfs/dbraw/zinc/14/85/66/1126148566.db2.gz UAHRZQUTQIJXIU-QHCPKHFHSA-N 1 0 442.353 4.182 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cccc2C1 ZINC001176588227 1126149835 /nfs/dbraw/zinc/14/98/35/1126149835.db2.gz RZRAUKIUUTXYGN-VWLOTQADSA-N 1 0 428.548 4.202 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822931 1126150594 /nfs/dbraw/zinc/15/05/94/1126150594.db2.gz PPXOXEGSUSNUBX-RDJZCZTQSA-N 1 0 436.243 4.221 20 0 IIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1C ZINC001178867466 1126151354 /nfs/dbraw/zinc/15/13/54/1126151354.db2.gz GZPBMSZHLBQNDQ-FGZHOGPDSA-N 1 0 442.600 4.148 20 0 IIADRO CCOc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1O ZINC001183145742 1126153305 /nfs/dbraw/zinc/15/33/05/1126153305.db2.gz NMVUSAPEMCQIOL-IBGZPJMESA-N 1 0 428.754 4.290 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)cc2Cl)cc1OC ZINC001198228330 1126155526 /nfs/dbraw/zinc/15/55/26/1126155526.db2.gz DWVGZTNKPAEXHT-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO Cc1ccc(-c2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cs2)o1 ZINC001307929073 1126162029 /nfs/dbraw/zinc/16/20/29/1126162029.db2.gz KZLRDBZZWUJCFG-HXUWFJFHSA-N 1 0 433.371 4.484 20 0 IIADRO CCc1ccc2c(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc(=O)oc2c1 ZINC001307927607 1126162054 /nfs/dbraw/zinc/16/20/54/1126162054.db2.gz CMXYHAIBBFOPIP-HSZRJFAPSA-N 1 0 442.353 4.128 20 0 IIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)c1 ZINC001308117816 1126163530 /nfs/dbraw/zinc/16/35/30/1126163530.db2.gz MYUGOCACWBLGMG-QFIPXVFZSA-N 1 0 430.957 4.333 20 0 IIADRO CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263544 1126164613 /nfs/dbraw/zinc/16/46/13/1126164613.db2.gz DUWLEIBQHMQLHY-DYESRHJHSA-N 1 0 425.447 4.025 20 0 IIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC001308391383 1126165592 /nfs/dbraw/zinc/16/55/92/1126165592.db2.gz MLGCASDWMCAEPJ-HSZRJFAPSA-N 1 0 431.511 4.380 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)cnc1Cl ZINC001308479734 1126166696 /nfs/dbraw/zinc/16/66/96/1126166696.db2.gz LPVXQHJSHZAMDD-MRXNPFEDSA-N 1 0 448.586 4.343 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(Cl)ccc1Br ZINC001308480091 1126166790 /nfs/dbraw/zinc/16/67/90/1126166790.db2.gz QPNZFSXQKLBVPE-MRXNPFEDSA-N 1 0 448.586 4.343 20 0 IIADRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3F)o2)CC1 ZINC001308886812 1126168691 /nfs/dbraw/zinc/16/86/91/1126168691.db2.gz RKVLOQDGHDWVPT-VWLOTQADSA-N 1 0 446.563 4.060 20 0 IIADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688718 1126191422 /nfs/dbraw/zinc/19/14/22/1126191422.db2.gz FUNRUCSNXZIBOT-IRLDBZIGSA-N 1 0 434.433 4.424 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001473839835 1126200097 /nfs/dbraw/zinc/20/00/97/1126200097.db2.gz KRGKAKSJVZASRU-OAQYLSRUSA-N 1 0 429.929 4.394 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OCc1ccncc1 ZINC001473998740 1126201201 /nfs/dbraw/zinc/20/12/01/1126201201.db2.gz KJKSUUIVWUDGDV-REWPJTCUSA-N 1 0 446.469 4.293 20 0 IIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC001474226763 1126203186 /nfs/dbraw/zinc/20/31/86/1126203186.db2.gz IDEZMCSVYGCCQY-NRFANRHFSA-N 1 0 432.337 4.166 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001560183874 1126209695 /nfs/dbraw/zinc/20/96/95/1126209695.db2.gz ZAMIPNKHDLYZJY-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO CN(C)c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c2ccccc21 ZINC001620624508 1126241722 /nfs/dbraw/zinc/24/17/22/1126241722.db2.gz YUXZSQHBQCFTKL-QFIPXVFZSA-N 1 0 428.374 4.147 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC001620624525 1126241822 /nfs/dbraw/zinc/24/18/22/1126241822.db2.gz ZCDZSOVXQKAVBN-XMMPIXPASA-N 1 0 435.549 4.156 20 0 IIADRO COc1ccc(-n2c(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)nc3ccccc32)cc1 ZINC001620537004 1126240894 /nfs/dbraw/zinc/24/08/94/1126240894.db2.gz KHMCDOYQDUSURE-AREMUKBSSA-N 1 0 431.536 4.126 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623632 1126241194 /nfs/dbraw/zinc/24/11/94/1126241194.db2.gz CWYKYDOAZMNNRF-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)o2)C1 ZINC001621021994 1126244375 /nfs/dbraw/zinc/24/43/75/1126244375.db2.gz FNCAQLUMOJWXCE-KBMIEXCESA-N 1 0 446.563 4.060 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(Br)c3ccccc3n2C)cc1OC ZINC001621057889 1126245809 /nfs/dbraw/zinc/24/58/09/1126245809.db2.gz WTOPJQMHDYKOFI-JOCHJYFZSA-N 1 0 447.373 4.041 20 0 IIADRO Clc1ncc2c(c1N1CC[C@@]3(CCOC3)C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164390332 718807547 /nfs/dbraw/zinc/80/75/47/718807547.db2.gz ODSLKODZRWZWPK-XMMPIXPASA-N 1 0 439.987 4.373 20 0 IIADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC(F)(C[NH3+])CC2)cc1 ZINC001164393744 718813065 /nfs/dbraw/zinc/81/30/65/718813065.db2.gz VLFVWZOBAUCFTB-UHFFFAOYSA-N 1 0 427.854 4.001 20 0 IIADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CCC12CC[NH2+]CC2 ZINC001164389639 718815441 /nfs/dbraw/zinc/81/54/41/718815441.db2.gz XFONUNYGDVYJEN-INIZCTEOSA-N 1 0 447.839 4.248 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164388255 718815451 /nfs/dbraw/zinc/81/54/51/718815451.db2.gz NZNAAHPQIQAFMC-MSOLQXFVSA-N 1 0 444.860 4.435 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164392241 718826171 /nfs/dbraw/zinc/82/61/71/718826171.db2.gz ZNJJRLPXHDXFJB-RTBURBONSA-N 1 0 430.886 4.062 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CC[C@@H]54)c23)c1 ZINC001164412298 718876182 /nfs/dbraw/zinc/87/61/82/718876182.db2.gz VITLMLFNBBAYEV-IRXDYDNUSA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164617391 719007400 /nfs/dbraw/zinc/00/74/00/719007400.db2.gz NVLKDXIRDHDBLC-DNVCBOLYSA-N 1 0 448.341 4.083 20 0 IIADRO c1ccc(CN2CCc3c(ncnc3N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001164627185 719074220 /nfs/dbraw/zinc/07/42/20/719074220.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 1 0 439.607 4.136 20 0 IIADRO C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@H](C)CN1C ZINC001164643247 719228422 /nfs/dbraw/zinc/22/84/22/719228422.db2.gz YKGQTLMEKIQFCL-RTBURBONSA-N 1 0 441.019 4.285 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681287 719629764 /nfs/dbraw/zinc/62/97/64/719629764.db2.gz GABHGNYHRAQQRT-UHFFFAOYSA-N 1 0 434.371 4.222 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680608 719637659 /nfs/dbraw/zinc/63/76/59/719637659.db2.gz YFMJUPOCSJSVDM-UHFFFAOYSA-N 1 0 430.531 4.108 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)c2c1CC[NH2+]C2 ZINC001164679735 719646676 /nfs/dbraw/zinc/64/66/76/719646676.db2.gz KYLNRRCGJOMGPK-UHFFFAOYSA-N 1 0 437.844 4.034 20 0 IIADRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164681856 719666332 /nfs/dbraw/zinc/66/63/32/719666332.db2.gz NTBJISVZDSWQQD-LJQANCHMSA-N 1 0 441.019 4.137 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccc(C)c(C)c3)c3ccccc31)CC2 ZINC001164689527 719739185 /nfs/dbraw/zinc/73/91/85/719739185.db2.gz GKAHWJVFXBYLPR-UHFFFAOYSA-N 1 0 443.595 4.094 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cs1 ZINC001164702647 719816531 /nfs/dbraw/zinc/81/65/31/719816531.db2.gz SRMNICPKNVLUME-UHFFFAOYSA-N 1 0 427.618 4.446 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(N)=S)c4ccsc42)CC3)cs1 ZINC001164702961 719816967 /nfs/dbraw/zinc/81/69/67/719816967.db2.gz UAQRDWJDCLGZAU-UHFFFAOYSA-N 1 0 443.667 4.330 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164702072 719836968 /nfs/dbraw/zinc/83/69/68/719836968.db2.gz NOANPTKKIIPMQI-XMMPIXPASA-N 1 0 448.611 4.421 20 0 IIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)c1 ZINC001164697593 719896082 /nfs/dbraw/zinc/89/60/82/719896082.db2.gz LUGGGKBQJHMTDA-UHFFFAOYSA-N 1 0 432.593 4.175 20 0 IIADRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2cccs2)n1 ZINC001164707715 719899385 /nfs/dbraw/zinc/89/93/85/719899385.db2.gz VZMQLAYOQHQKIK-UHFFFAOYSA-N 1 0 426.611 4.446 20 0 IIADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706710 719905873 /nfs/dbraw/zinc/90/58/73/719905873.db2.gz JZSLYOPEETYHDU-UHFFFAOYSA-N 1 0 427.401 4.279 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815800 720076469 /nfs/dbraw/zinc/07/64/69/720076469.db2.gz ZRDXBNPJBUBBCN-KKSFZXQISA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164715518 720111355 /nfs/dbraw/zinc/11/13/55/720111355.db2.gz GWWIOVZYYIMFDJ-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716990 720117410 /nfs/dbraw/zinc/11/74/10/720117410.db2.gz MXDTWSFFFFDAJC-JOCHJYFZSA-N 1 0 446.595 4.454 20 0 IIADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716959 720122733 /nfs/dbraw/zinc/12/27/33/720122733.db2.gz MJOINFDHHGOIAJ-LJQANCHMSA-N 1 0 430.980 4.036 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164719110 720126431 /nfs/dbraw/zinc/12/64/31/720126431.db2.gz WHCDKLUABNPDTP-FQEVSTJZSA-N 1 0 435.597 4.108 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811591 720137708 /nfs/dbraw/zinc/13/77/08/720137708.db2.gz MRMSQJYUKKSEDQ-IIBYNOLFSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164711722 720148666 /nfs/dbraw/zinc/14/86/66/720148666.db2.gz IKVUPYRZZNVASN-NRFANRHFSA-N 1 0 447.558 4.185 20 0 IIADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1-c1ccccc1)CCC2 ZINC001164814031 720222379 /nfs/dbraw/zinc/22/23/79/720222379.db2.gz RKHIVXCLMBYROQ-UHFFFAOYSA-N 1 0 437.975 4.209 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164726218 720317556 /nfs/dbraw/zinc/31/75/56/720317556.db2.gz YNYHKSRXWWECCQ-JTHBVZDNSA-N 1 0 438.620 4.036 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164829128 720350891 /nfs/dbraw/zinc/35/08/91/720350891.db2.gz QQLCBGMAPBGVBU-PMACEKPBSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001164827498 720351214 /nfs/dbraw/zinc/35/12/14/720351214.db2.gz MJYJCCRYCWEZRC-MOPGFXCFSA-N 1 0 447.410 4.453 20 0 IIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164724710 720375274 /nfs/dbraw/zinc/37/52/74/720375274.db2.gz LCQGAAYNKUIZAR-BJKOFHAPSA-N 1 0 434.547 4.454 20 0 IIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732517 720435829 /nfs/dbraw/zinc/43/58/29/720435829.db2.gz NYWCRVKFRGHINX-CTUHWIOQSA-N 1 0 428.584 4.257 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725728 720440729 /nfs/dbraw/zinc/44/07/29/720440729.db2.gz AWCHEQHXZBRGCF-RTWAWAEBSA-N 1 0 448.640 4.152 20 0 IIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722944 720477557 /nfs/dbraw/zinc/47/75/57/720477557.db2.gz BHCJYIKVIHTHDQ-MOPGFXCFSA-N 1 0 425.895 4.310 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc3ccc(Cl)cc32)C1 ZINC001164728165 720518223 /nfs/dbraw/zinc/51/82/23/720518223.db2.gz JNDXCZJVVNDGSO-QGZVFWFLSA-N 1 0 432.959 4.345 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164733946 720524651 /nfs/dbraw/zinc/52/46/51/720524651.db2.gz NGZLVFCXRVMWTE-INIZCTEOSA-N 1 0 438.626 4.431 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840749 720588143 /nfs/dbraw/zinc/58/81/43/720588143.db2.gz QOQICCMDPNRFAS-PCCBWWKXSA-N 1 0 449.603 4.003 20 0 IIADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164839219 720623311 /nfs/dbraw/zinc/62/33/11/720623311.db2.gz MJSRFKYMCDXAKP-SGIRGMQISA-N 1 0 446.599 4.117 20 0 IIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840594 720638333 /nfs/dbraw/zinc/63/83/33/720638333.db2.gz PXDQKMSZOKJNKP-KIFXHHALSA-N 1 0 434.563 4.165 20 0 IIADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837781 720639178 /nfs/dbraw/zinc/63/91/78/720639178.db2.gz JJGRACVEXXMSGD-MZLICYQSSA-N 1 0 434.563 4.165 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837640 720651913 /nfs/dbraw/zinc/65/19/13/720651913.db2.gz DQEFEVSIYHNYIH-PWRODBHTSA-N 1 0 439.991 4.471 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164842690 720678188 /nfs/dbraw/zinc/67/81/88/720678188.db2.gz MQQUIYSNBGLGFH-GOSISDBHSA-N 1 0 442.991 4.155 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164841838 720690275 /nfs/dbraw/zinc/69/02/75/720690275.db2.gz JGYUBQDTILEQOJ-JOCHJYFZSA-N 1 0 437.584 4.297 20 0 IIADRO COC(=O)c1cc2ccccc2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842307 720715581 /nfs/dbraw/zinc/71/55/81/720715581.db2.gz YCKKNPKBUSUZOR-QFIPXVFZSA-N 1 0 445.563 4.281 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)s1 ZINC001164841701 720723062 /nfs/dbraw/zinc/72/30/62/720723062.db2.gz VYPDNRHPKXRCPD-OAQYLSRUSA-N 1 0 449.624 4.477 20 0 IIADRO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754862 720873614 /nfs/dbraw/zinc/87/36/14/720873614.db2.gz UFEJELRHYQBNIL-JYFHCDHNSA-N 1 0 435.616 4.059 20 0 IIADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755792 720874426 /nfs/dbraw/zinc/87/44/26/720874426.db2.gz YXJOMTMRKHSAMX-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO c1ccc2c(c1)ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751495 720874649 /nfs/dbraw/zinc/87/46/49/720874649.db2.gz KLBWTGGJTNNZAM-IGKIAQTJSA-N 1 0 428.580 4.385 20 0 IIADRO Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164750004 720882285 /nfs/dbraw/zinc/88/22/85/720882285.db2.gz IHNNPCXLFADIMS-ATIYNZHBSA-N 1 0 431.584 4.021 20 0 IIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757459 720885042 /nfs/dbraw/zinc/88/50/42/720885042.db2.gz VBKFUVOTYSLZON-IGKIAQTJSA-N 1 0 432.612 4.111 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860640 720901922 /nfs/dbraw/zinc/90/19/22/720901922.db2.gz SHTNVENELRKUCY-XFAFFCHDSA-N 1 0 448.611 4.186 20 0 IIADRO Cc1csc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754645 720904218 /nfs/dbraw/zinc/90/42/18/720904218.db2.gz WQMIOPQPLSFJCJ-BWKNWUBXSA-N 1 0 449.624 4.150 20 0 IIADRO CCOc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OCC ZINC001164856972 720963152 /nfs/dbraw/zinc/96/31/52/720963152.db2.gz DFKLUAUAWZHERR-KRWDZBQOSA-N 1 0 438.576 4.045 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@@H]2C ZINC001164856441 721009121 /nfs/dbraw/zinc/00/91/21/721009121.db2.gz AIJQRUDCOVQMKM-LJQANCHMSA-N 1 0 433.556 4.057 20 0 IIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)cc(C)c4C(N)=O)CC3)CC2)cc1 ZINC001164763062 721042242 /nfs/dbraw/zinc/04/22/42/721042242.db2.gz JWUZGJUVULTBNY-UHFFFAOYSA-N 1 0 426.992 4.333 20 0 IIADRO COCCn1ccc2c1ncnc2N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164758821 721044834 /nfs/dbraw/zinc/04/48/34/721044834.db2.gz CFWYNCABMDYFKH-UHFFFAOYSA-N 1 0 433.600 4.269 20 0 IIADRO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)c1 ZINC001164866272 721067723 /nfs/dbraw/zinc/06/77/23/721067723.db2.gz DKQMEOWRVAHWSU-ZWKOTPCHSA-N 1 0 449.605 4.295 20 0 IIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865532 721077978 /nfs/dbraw/zinc/07/79/78/721077978.db2.gz MLSXUSGZMNFOJV-VQTJNVASSA-N 1 0 444.913 4.308 20 0 IIADRO c1ccc(-c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865381 721083519 /nfs/dbraw/zinc/08/35/19/721083519.db2.gz KQNGVEJGKCDRJY-XZOQPEGZSA-N 1 0 437.547 4.172 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772228 721114062 /nfs/dbraw/zinc/11/40/62/721114062.db2.gz UNAVBKOTMZRMGA-ROUUACIJSA-N 1 0 431.918 4.125 20 0 IIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164878853 721259834 /nfs/dbraw/zinc/25/98/34/721259834.db2.gz VTMMUMUSWGULBI-RDPSFJRHSA-N 1 0 427.976 4.414 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)nc1 ZINC001164873698 721315395 /nfs/dbraw/zinc/31/53/95/721315395.db2.gz AFQOVBSTLVCQHF-KELGSRBJSA-N 1 0 436.600 4.476 20 0 IIADRO CSc1cc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777298 721346031 /nfs/dbraw/zinc/34/60/31/721346031.db2.gz FUERDCMMZNHVCX-NRFANRHFSA-N 1 0 437.009 4.181 20 0 IIADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786196 721367727 /nfs/dbraw/zinc/36/77/27/721367727.db2.gz WSNZUHILNMQDGY-SANMLTNESA-N 1 0 449.599 4.477 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164787761 721457801 /nfs/dbraw/zinc/45/78/01/721457801.db2.gz SBMZIPAIXUJPIX-SFHVURJKSA-N 1 0 440.053 4.191 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164789953 721458907 /nfs/dbraw/zinc/45/89/07/721458907.db2.gz YPTOLPQSIREEQJ-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164791771 721465184 /nfs/dbraw/zinc/46/51/84/721465184.db2.gz YVKVBBVCZYCOJQ-LJQANCHMSA-N 1 0 447.023 4.259 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793364 721490516 /nfs/dbraw/zinc/49/05/16/721490516.db2.gz QUFZYADMSNLWSE-UHFFFAOYSA-N 1 0 442.991 4.496 20 0 IIADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792912 721495159 /nfs/dbraw/zinc/49/51/59/721495159.db2.gz VKSMMEBXVZXLKN-UHFFFAOYSA-N 1 0 445.567 4.083 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164795761 721500333 /nfs/dbraw/zinc/50/03/33/721500333.db2.gz LTVAQXZAMZKGSO-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)s1 ZINC001164795447 721502420 /nfs/dbraw/zinc/50/24/20/721502420.db2.gz HEVARANMPADKIP-UHFFFAOYSA-N 1 0 434.613 4.493 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@@H+]3C2)c1 ZINC001164903838 721531917 /nfs/dbraw/zinc/53/19/17/721531917.db2.gz DGTIDJIBRGKHEY-UYAOXDASSA-N 1 0 429.499 4.106 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164808940 721540085 /nfs/dbraw/zinc/54/00/85/721540085.db2.gz SNJNKXIAODVESJ-LGVFNWMJSA-N 1 0 435.959 4.060 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@@H+]3C2)c1 ZINC001164907141 721541741 /nfs/dbraw/zinc/54/17/41/721541741.db2.gz MGHPCJDWMMWTOT-PKOBYXMFSA-N 1 0 448.876 4.309 20 0 IIADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903382 721550307 /nfs/dbraw/zinc/55/03/07/721550307.db2.gz CGPPRJIJNXLSOF-WMZOPIPTSA-N 1 0 429.927 4.147 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020281 721799680 /nfs/dbraw/zinc/79/96/80/721799680.db2.gz DVAWBTKPPWPBSO-PWIZWCRZSA-N 1 0 428.964 4.044 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]21 ZINC001165026975 721801310 /nfs/dbraw/zinc/80/13/10/721801310.db2.gz TUMWFCHZWPBZRX-YSVLISHTSA-N 1 0 442.341 4.460 20 0 IIADRO COc1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165026402 721816792 /nfs/dbraw/zinc/81/67/92/721816792.db2.gz PTLCXHVNOMOJTJ-WPYKKVEZSA-N 1 0 432.568 4.384 20 0 IIADRO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)c1C ZINC001165024776 721817159 /nfs/dbraw/zinc/81/71/59/721817159.db2.gz KPBRSLUNNZYLMT-QXAKKESOSA-N 1 0 435.950 4.424 20 0 IIADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165026782 721823443 /nfs/dbraw/zinc/82/34/43/721823443.db2.gz QGSSBCXLQBCUML-TUSQITKMSA-N 1 0 447.627 4.086 20 0 IIADRO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165026127 721825605 /nfs/dbraw/zinc/82/56/05/721825605.db2.gz OFEQIUFAMBTSAY-KWOQKUFVSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]21 ZINC001165023242 721828244 /nfs/dbraw/zinc/82/82/44/721828244.db2.gz IIXZRWUDIUDSQF-JHMXWDHMSA-N 1 0 440.595 4.159 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165017314 721837802 /nfs/dbraw/zinc/83/78/02/721837802.db2.gz KEMQKTZEASJPAC-UHFFFAOYSA-N 1 0 447.963 4.030 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Oc3ccccc3)ncn2)CC1 ZINC001165022160 721839028 /nfs/dbraw/zinc/83/90/28/721839028.db2.gz PTGWOXJRPQSFPO-UHFFFAOYSA-N 1 0 434.540 4.387 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(Oc3ccccc3)n2)CC1 ZINC001165022136 721839675 /nfs/dbraw/zinc/83/96/75/721839675.db2.gz PIFHQXGARORUEW-UHFFFAOYSA-N 1 0 434.540 4.387 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2csc3ncnc(Cl)c23)CC1 ZINC001165023461 721839770 /nfs/dbraw/zinc/83/97/70/721839770.db2.gz YMVBQYHAOQSQEI-UHFFFAOYSA-N 1 0 432.977 4.463 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001165031190 721845083 /nfs/dbraw/zinc/84/50/83/721845083.db2.gz XJTXNBFMTCKSGH-UHFFFAOYSA-N 1 0 436.531 4.401 20 0 IIADRO COc1cc(C)c2ncnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165030315 721845507 /nfs/dbraw/zinc/84/55/07/721845507.db2.gz HNVUXKOXILNEDH-UHFFFAOYSA-N 1 0 436.556 4.065 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931232 721856327 /nfs/dbraw/zinc/85/63/27/721856327.db2.gz UJSRPRKFZBQDGA-FCHUYYIVSA-N 1 0 439.966 4.304 20 0 IIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921540 721872753 /nfs/dbraw/zinc/87/27/53/721872753.db2.gz DDYVTVSPCLYLKU-ROUUACIJSA-N 1 0 428.005 4.226 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164931899 721879462 /nfs/dbraw/zinc/87/94/62/721879462.db2.gz GOTLTZJGPOHCDG-IRXDYDNUSA-N 1 0 427.643 4.251 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933019 721885622 /nfs/dbraw/zinc/88/56/22/721885622.db2.gz KVGKIPUPECEKDS-JWQCQUIFSA-N 1 0 429.568 4.151 20 0 IIADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165036477 721914031 /nfs/dbraw/zinc/91/40/31/721914031.db2.gz CWYDTSQRGKZOQN-KRWDZBQOSA-N 1 0 447.938 4.019 20 0 IIADRO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939297 721925408 /nfs/dbraw/zinc/92/54/08/721925408.db2.gz GXRMIFZMBQEOAE-UHFFFAOYSA-N 1 0 445.563 4.201 20 0 IIADRO COc1ccc(-c2cc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ncn2)cc1 ZINC001164939523 721931267 /nfs/dbraw/zinc/93/12/67/721931267.db2.gz LWYRNILXYXDLTH-UHFFFAOYSA-N 1 0 444.579 4.332 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccccc5F)nn4)CC3)C2)cc1 ZINC001164940688 721931803 /nfs/dbraw/zinc/93/18/03/721931803.db2.gz WZTZHWDHHDTPSN-UHFFFAOYSA-N 1 0 432.543 4.463 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052192 721999600 /nfs/dbraw/zinc/99/96/00/721999600.db2.gz OVIQBYZYVKGXTF-INIZCTEOSA-N 1 0 440.539 4.216 20 0 IIADRO CCOC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2ccccc21 ZINC001164952566 722017153 /nfs/dbraw/zinc/01/71/53/722017153.db2.gz NSJHNPDAFXUKKL-UHFFFAOYSA-N 1 0 430.552 4.299 20 0 IIADRO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)n1 ZINC001164956036 722020359 /nfs/dbraw/zinc/02/03/59/722020359.db2.gz UQYHRWHYQPFQNH-UHFFFAOYSA-N 1 0 432.572 4.317 20 0 IIADRO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963867 722054946 /nfs/dbraw/zinc/05/49/46/722054946.db2.gz OXRZOQMQDLBTNZ-UHFFFAOYSA-N 1 0 437.975 4.106 20 0 IIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984738 722099494 /nfs/dbraw/zinc/09/94/94/722099494.db2.gz UHTQXVFDDFEHOJ-DYESRHJHSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980723 722099805 /nfs/dbraw/zinc/09/98/05/722099805.db2.gz KAPJTMXTYGNODG-JXFKEZNVSA-N 1 0 444.366 4.059 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980274 722132208 /nfs/dbraw/zinc/13/22/08/722132208.db2.gz MJRWSTPUSQNSHI-MJGOQNOKSA-N 1 0 428.989 4.380 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982585 722146678 /nfs/dbraw/zinc/14/66/78/722146678.db2.gz RRJCHVONZCLQQR-ILBGXUMGSA-N 1 0 446.620 4.496 20 0 IIADRO Fc1cccc2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977900 722155840 /nfs/dbraw/zinc/15/58/40/722155840.db2.gz ZDWREODKQGXMOG-UWJYYQICSA-N 1 0 426.923 4.150 20 0 IIADRO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](CO)Cc4c[nH]c5ccccc45)cc3)nc12 ZINC000522536302 1126095766 /nfs/dbraw/zinc/09/57/66/1126095766.db2.gz HVGKLBYHPMPEFS-JOCHJYFZSA-N 1 0 440.547 4.396 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1OC ZINC000604766812 1126100582 /nfs/dbraw/zinc/10/05/82/1126100582.db2.gz RTGGMKQPRNTYRK-MRXNPFEDSA-N 1 0 433.346 4.031 20 0 IIADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000800238817 1126110485 /nfs/dbraw/zinc/11/04/85/1126110485.db2.gz JQNDKWYKCHQHSD-HUUCEWRRSA-N 1 0 431.480 4.114 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001176587220 1126149679 /nfs/dbraw/zinc/14/96/79/1126149679.db2.gz HQBAGXBPOWFUPL-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cs1 ZINC001176596566 1126150080 /nfs/dbraw/zinc/15/00/80/1126150080.db2.gz BBYQKMKZFIHROC-QHCPKHFHSA-N 1 0 444.000 4.369 20 0 IIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)c2cc1C ZINC001196103703 1126153478 /nfs/dbraw/zinc/15/34/78/1126153478.db2.gz HHDHDRZZJXMLQK-QHCPKHFHSA-N 1 0 442.353 4.182 20 0 IIADRO Cc1nc(-c2ccccc2)oc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001196105360 1126153521 /nfs/dbraw/zinc/15/35/21/1126153521.db2.gz VFXXIBHYLUAYQT-QFIPXVFZSA-N 1 0 427.342 4.422 20 0 IIADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC001203282878 1126158115 /nfs/dbraw/zinc/15/81/15/1126158115.db2.gz LABPTFQJTNMGSF-HHHXNRCGSA-N 1 0 445.563 4.314 20 0 IIADRO COc1sc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1Br ZINC001206855588 1126159606 /nfs/dbraw/zinc/15/96/06/1126159606.db2.gz HPORVHVIHUIHCN-INIZCTEOSA-N 1 0 449.208 4.365 20 0 IIADRO OC[C@]1([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001307928649 1126162002 /nfs/dbraw/zinc/16/20/02/1126162002.db2.gz OISLKEFLWOWAQC-IBGZPJMESA-N 1 0 444.291 4.400 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC001308263822 1126164679 /nfs/dbraw/zinc/16/46/79/1126164679.db2.gz HCYZCQDEBINOFF-OAHLLOKOSA-N 1 0 425.273 4.225 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)cc2SC)cc1OC ZINC001308513034 1126167643 /nfs/dbraw/zinc/16/76/43/1126167643.db2.gz MKEKQHWHRCHGND-FQEVSTJZSA-N 1 0 440.403 4.272 20 0 IIADRO OC[C@]1([NH2+]Cc2cc(F)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001473640983 1126198045 /nfs/dbraw/zinc/19/80/45/1126198045.db2.gz CBHWIALNZNGIEU-SFHVURJKSA-N 1 0 443.154 4.360 20 0 IIADRO Cc1ccc(-c2cnc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)o2)cc1 ZINC001473641332 1126198145 /nfs/dbraw/zinc/19/81/45/1126198145.db2.gz LXWASMCWQHMYQV-QFIPXVFZSA-N 1 0 427.342 4.422 20 0 IIADRO OC[C@@]1([NH2+]Cc2cc(F)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001473640982 1126198166 /nfs/dbraw/zinc/19/81/66/1126198166.db2.gz CBHWIALNZNGIEU-GOSISDBHSA-N 1 0 443.154 4.360 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCc2cc(Br)ccc2C1 ZINC001461633923 1126195510 /nfs/dbraw/zinc/19/55/10/1126195510.db2.gz OKEJBNMPOXZKPJ-GOSISDBHSA-N 1 0 430.264 4.357 20 0 IIADRO OC[C@@]1([NH2+]Cc2ccccc2Br)CCc2cc(Br)ccc2C1 ZINC001474208502 1126202519 /nfs/dbraw/zinc/20/25/19/1126202519.db2.gz IKDFPSGGOUSVOG-GOSISDBHSA-N 1 0 425.164 4.221 20 0 IIADRO COc1cccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)co2)c1 ZINC001473840196 1126200619 /nfs/dbraw/zinc/20/06/19/1126200619.db2.gz SGYVBQVHUZBLMA-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cccc2C1 ZINC001560183342 1126209028 /nfs/dbraw/zinc/20/90/28/1126209028.db2.gz MWCCCAYCENNYAZ-RUZDIDTESA-N 1 0 428.548 4.202 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(C(=O)Nc3ccccc3)c2)cc1OC ZINC001560184926 1126209693 /nfs/dbraw/zinc/20/96/93/1126209693.db2.gz PDBQTJSSINBHDY-SANMLTNESA-N 1 0 434.536 4.039 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1OC ZINC001560548065 1126211776 /nfs/dbraw/zinc/21/17/76/1126211776.db2.gz AAZCXTASNHUQJX-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000028383513 563054167 /nfs/dbraw/zinc/05/41/67/563054167.db2.gz YXDOSSZMBSTXNU-UHFFFAOYSA-N 1 0 438.450 4.301 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406895 718865483 /nfs/dbraw/zinc/86/54/83/718865483.db2.gz HTCMPXWVMZVYQX-QRWLVFNGSA-N 1 0 444.913 4.310 20 0 IIADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CC[C@@H]54)c23)c1 ZINC001164412300 718876031 /nfs/dbraw/zinc/87/60/31/718876031.db2.gz VITLMLFNBBAYEV-SJORKVTESA-N 1 0 425.627 4.346 20 0 IIADRO CCOC(=O)c1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)n1 ZINC001164414664 718880851 /nfs/dbraw/zinc/88/08/51/718880851.db2.gz VYTIBGUAULYYRA-CYBMUJFWSA-N 1 0 441.828 4.110 20 0 IIADRO CCOC(=O)c1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)n1 ZINC001164414666 718881018 /nfs/dbraw/zinc/88/10/18/718881018.db2.gz VYTIBGUAULYYRA-ZDUSSCGKSA-N 1 0 441.828 4.110 20 0 IIADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C[C@@H]4[C@@H](F)C3)c21 ZINC001164431361 718963606 /nfs/dbraw/zinc/96/36/06/718963606.db2.gz OJYGFZRBDIIHFA-LNLFQRSKSA-N 1 0 441.934 4.191 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164619655 719007813 /nfs/dbraw/zinc/00/78/13/719007813.db2.gz WPAMNOOEBWQLOI-BEFAXECRSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)CC1 ZINC001164617845 719027428 /nfs/dbraw/zinc/02/74/28/719027428.db2.gz PUVOUJZALSGKDS-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3OCc3ccc(F)cc3)CC2)CC1 ZINC001164617881 719033136 /nfs/dbraw/zinc/03/31/36/719033136.db2.gz OSRKASSLDADVPZ-UHFFFAOYSA-N 1 0 441.547 4.044 20 0 IIADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618472 719077833 /nfs/dbraw/zinc/07/78/33/719077833.db2.gz AQBOBJIXIOOIQD-SJORKVTESA-N 1 0 447.004 4.129 20 0 IIADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629150 719082465 /nfs/dbraw/zinc/08/24/65/719082465.db2.gz WAHSPHWUTOKWGL-HOTGVXAUSA-N 1 0 435.355 4.061 20 0 IIADRO COc1ccc(OC)c(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164622308 719102971 /nfs/dbraw/zinc/10/29/71/719102971.db2.gz BROUMYALJZRZOA-RDPSFJRHSA-N 1 0 430.552 4.262 20 0 IIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@H]3C2)cc1 ZINC001164622287 719103932 /nfs/dbraw/zinc/10/39/32/719103932.db2.gz BPUZZBJZTZIGDD-VWNXMTODSA-N 1 0 442.563 4.406 20 0 IIADRO Cc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628786 719106769 /nfs/dbraw/zinc/10/67/69/719106769.db2.gz OFPUATUUPRARDF-GOTSBHOMSA-N 1 0 427.552 4.138 20 0 IIADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c2ccccc21 ZINC001164624807 719119494 /nfs/dbraw/zinc/11/94/94/719119494.db2.gz WCPSRBUXTJFRMV-GUYCJALGSA-N 1 0 449.908 4.347 20 0 IIADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)c23)cc1 ZINC001164666893 719446419 /nfs/dbraw/zinc/44/64/19/719446419.db2.gz DSSXQMQNQNZCME-LEWJYISDSA-N 1 0 443.576 4.248 20 0 IIADRO Cc1ccc2nc(-c3ccccc3F)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682619 719626546 /nfs/dbraw/zinc/62/65/46/719626546.db2.gz OSZMKIBGQRVUNI-UHFFFAOYSA-N 1 0 444.558 4.416 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCCCC3)c2c1CC[NH2+]C2 ZINC001164680701 719654080 /nfs/dbraw/zinc/65/40/80/719654080.db2.gz HYXIDBVQBACRPM-UHFFFAOYSA-N 1 0 437.966 4.284 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)c2c1CC[NH2+]C2 ZINC001164681377 719654543 /nfs/dbraw/zinc/65/45/43/719654543.db2.gz NDGDKGRDRKIULD-UHFFFAOYSA-N 1 0 435.906 4.275 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2COC4(C)C)CC3)cs1 ZINC001164692803 719806416 /nfs/dbraw/zinc/80/64/16/719806416.db2.gz NEGKTVNTHMJMSI-UHFFFAOYSA-N 1 0 434.009 4.295 20 0 IIADRO Cc1nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(Cl)c1C ZINC001164699330 719895470 /nfs/dbraw/zinc/89/54/70/719895470.db2.gz ZYRKUJCUJYMSCK-UHFFFAOYSA-N 1 0 442.963 4.225 20 0 IIADRO FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707691 719907223 /nfs/dbraw/zinc/90/72/23/719907223.db2.gz UZNFPFVOTYERBY-UHFFFAOYSA-N 1 0 429.920 4.093 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164712947 720105089 /nfs/dbraw/zinc/10/50/89/720105089.db2.gz ZASBPLJEWVUREV-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164715560 720108056 /nfs/dbraw/zinc/10/80/56/720108056.db2.gz HXXLMOJLFASXTG-LJQANCHMSA-N 1 0 426.992 4.126 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164814899 720113962 /nfs/dbraw/zinc/11/39/62/720113962.db2.gz TYKNDWBAFXDWIX-KEWLPNKHSA-N 1 0 426.630 4.001 20 0 IIADRO CCc1c(Cl)nnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1CC ZINC001164717408 720120189 /nfs/dbraw/zinc/12/01/89/720120189.db2.gz ONEZIEDWISHRSY-LJQANCHMSA-N 1 0 444.023 4.157 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164718038 720122103 /nfs/dbraw/zinc/12/21/03/720122103.db2.gz QPDAVAXQGHTZIB-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164714911 720126662 /nfs/dbraw/zinc/12/66/62/720126662.db2.gz FDXGROYIUTZFQZ-GOSISDBHSA-N 1 0 433.021 4.359 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164711746 720135058 /nfs/dbraw/zinc/13/50/58/720135058.db2.gz JLAYFBWBAZHALG-FQEVSTJZSA-N 1 0 448.615 4.158 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164713030 720148987 /nfs/dbraw/zinc/14/89/87/720148987.db2.gz PDHNDUHLRXZPSG-OAQYLSRUSA-N 1 0 449.624 4.416 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817477 720153166 /nfs/dbraw/zinc/15/31/66/720153166.db2.gz PNWJYUYZHFYTIM-SQJMNOBHSA-N 1 0 442.003 4.499 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817974 720159580 /nfs/dbraw/zinc/15/95/80/720159580.db2.gz QSYVHYAMNAPYOI-FIPFOOKPSA-N 1 0 442.607 4.405 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813691 720166913 /nfs/dbraw/zinc/16/69/13/720166913.db2.gz DMRXKGBDBQLAME-GAJHUEQPSA-N 1 0 446.954 4.246 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818448 720179874 /nfs/dbraw/zinc/17/98/74/720179874.db2.gz SVCGEMYDMDQKFP-JPYJTQIMSA-N 1 0 430.955 4.121 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814144 720201554 /nfs/dbraw/zinc/20/15/54/720201554.db2.gz SYQIJZLRJDDRKV-AZUAARDMSA-N 1 0 425.951 4.040 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2c(Cl)cccc12 ZINC001164831313 720331015 /nfs/dbraw/zinc/33/10/15/720331015.db2.gz QQVRDTKJDNTULR-NHCUHLMSSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001164828338 720350829 /nfs/dbraw/zinc/35/08/29/720350829.db2.gz OGSKXLMGRHGDKI-VQTJNVASSA-N 1 0 447.410 4.453 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725723 720439761 /nfs/dbraw/zinc/43/97/61/720439761.db2.gz AWCHEQHXZBRGCF-LEWJYISDSA-N 1 0 448.640 4.152 20 0 IIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732042 720476684 /nfs/dbraw/zinc/47/66/84/720476684.db2.gz YIPIAFBWSHIOHR-QZTJIDSGSA-N 1 0 425.895 4.310 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3cc(OCc4ccccc4)ccc3n2)C1 ZINC001164730623 720518357 /nfs/dbraw/zinc/51/83/57/720518357.db2.gz RZJMFAHTEIPSCQ-OAQYLSRUSA-N 1 0 427.552 4.208 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834559 720533581 /nfs/dbraw/zinc/53/35/81/720533581.db2.gz DUSSLJNEDMRFPO-AUSJPIAWSA-N 1 0 446.933 4.136 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)CC[C@@H]21 ZINC001164835001 720539028 /nfs/dbraw/zinc/53/90/28/720539028.db2.gz GOJVQSOZTKDMAB-RNHFSVANSA-N 1 0 441.583 4.199 20 0 IIADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164732983 720544356 /nfs/dbraw/zinc/54/43/56/720544356.db2.gz ADUQYQOODDEHMD-AWEZNQCLSA-N 1 0 442.913 4.483 20 0 IIADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164733189 720546504 /nfs/dbraw/zinc/54/65/04/720546504.db2.gz CAFQXEIQNAFDSS-CQSZACIVSA-N 1 0 440.922 4.451 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1C ZINC001164834028 720566367 /nfs/dbraw/zinc/56/63/67/720566367.db2.gz CGBIRMGYWIDJLR-XQBPLPMBSA-N 1 0 439.007 4.474 20 0 IIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736090 720590470 /nfs/dbraw/zinc/59/04/70/720590470.db2.gz BFPOZSHROBEMEQ-UHFFFAOYSA-N 1 0 432.906 4.076 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837165 720605586 /nfs/dbraw/zinc/60/55/86/720605586.db2.gz HIJTUKQXIQVSNZ-UNWVZKJWSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]21 ZINC001164844128 720621620 /nfs/dbraw/zinc/62/16/20/720621620.db2.gz YXOWQIAIXHJZRF-ACRUOGEOSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(SCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839312 720631906 /nfs/dbraw/zinc/63/19/06/720631906.db2.gz NEXSMUNGICZNFR-XPWALMASSA-N 1 0 448.640 4.343 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164840406 720689199 /nfs/dbraw/zinc/68/91/99/720689199.db2.gz DMGAGMLEBALSPX-DEOSSOPVSA-N 1 0 444.579 4.316 20 0 IIADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741668 720827732 /nfs/dbraw/zinc/82/77/32/720827732.db2.gz OARKKHAFAARZBZ-XPWALMASSA-N 1 0 449.002 4.373 20 0 IIADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741672 720827903 /nfs/dbraw/zinc/82/79/03/720827903.db2.gz OARKKHAFAARZBZ-YTFSRNRJSA-N 1 0 449.002 4.373 20 0 IIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739999 720840242 /nfs/dbraw/zinc/84/02/42/720840242.db2.gz BKVSGGKUNIDVQK-KCZVDYSFSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751884 720857100 /nfs/dbraw/zinc/85/71/00/720857100.db2.gz RLECFMPIXZAMFX-QHAWAJNXSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755516 720868829 /nfs/dbraw/zinc/86/88/29/720868829.db2.gz YCYNDEWIPCTINY-OFVILXPXSA-N 1 0 449.624 4.150 20 0 IIADRO CC(C)Oc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758167 720894537 /nfs/dbraw/zinc/89/45/37/720894537.db2.gz XIXDLPKQRPNPPD-BVAGGSTKSA-N 1 0 436.600 4.019 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752834 720898095 /nfs/dbraw/zinc/89/80/95/720898095.db2.gz GAZOLMDQDAXUCR-GJZUVCINSA-N 1 0 431.584 4.021 20 0 IIADRO CSc1nc(Cl)cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863941 720927577 /nfs/dbraw/zinc/92/75/77/720927577.db2.gz ZWVBKJOJURGVJK-LBPRGKRZSA-N 1 0 430.956 4.015 20 0 IIADRO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753745 720934083 /nfs/dbraw/zinc/93/40/83/720934083.db2.gz SLYYTYWSFIQRGP-JYFHCDHNSA-N 1 0 435.616 4.059 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@@H]2C ZINC001164859659 721001971 /nfs/dbraw/zinc/00/19/71/721001971.db2.gz KYACPZIVWUTOCT-GOSISDBHSA-N 1 0 427.556 4.310 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@@H]2C ZINC001164860928 721016647 /nfs/dbraw/zinc/01/66/47/721016647.db2.gz LVEYTJVFWQBEJL-OAHLLOKOSA-N 1 0 433.984 4.308 20 0 IIADRO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759866 721043296 /nfs/dbraw/zinc/04/32/96/721043296.db2.gz RDMKBXJLYRFVSQ-UHFFFAOYSA-N 1 0 442.991 4.037 20 0 IIADRO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)c1 ZINC001164866271 721067587 /nfs/dbraw/zinc/06/75/87/721067587.db2.gz DKQMEOWRVAHWSU-ROUUACIJSA-N 1 0 449.605 4.295 20 0 IIADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865461 721076793 /nfs/dbraw/zinc/07/67/93/721076793.db2.gz LLRIGQZORBRNNQ-XZOQPEGZSA-N 1 0 437.547 4.172 20 0 IIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866653 721113493 /nfs/dbraw/zinc/11/34/93/721113493.db2.gz UNHVTTFRYXEDQE-RTBURBONSA-N 1 0 444.913 4.308 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868855 721195069 /nfs/dbraw/zinc/19/50/69/721195069.db2.gz OGEYTZZPBZCJCY-OALUTQOASA-N 1 0 434.918 4.032 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868857 721195772 /nfs/dbraw/zinc/19/57/72/721195772.db2.gz OGEYTZZPBZCJCY-RTBURBONSA-N 1 0 434.918 4.032 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)s1 ZINC001164772335 721212712 /nfs/dbraw/zinc/21/27/12/721212712.db2.gz SHRVXHCNVQEOKW-UXHICEINSA-N 1 0 444.608 4.359 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760719 721248516 /nfs/dbraw/zinc/24/85/16/721248516.db2.gz GHZKTCHNSIYOFA-IAGOWNOFSA-N 1 0 447.917 4.232 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164786871 721452614 /nfs/dbraw/zinc/45/26/14/721452614.db2.gz OEPDSEZFEUPWEH-FQEVSTJZSA-N 1 0 444.645 4.042 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164789382 721456069 /nfs/dbraw/zinc/45/60/69/721456069.db2.gz XOBCZRALHAKKHK-IBGZPJMESA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164782796 721460750 /nfs/dbraw/zinc/46/07/50/721460750.db2.gz CDNPZTTVGULWSV-OAQYLSRUSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164784040 721462335 /nfs/dbraw/zinc/46/23/35/721462335.db2.gz GRULHSOCEXPLGU-SFHVURJKSA-N 1 0 440.053 4.191 20 0 IIADRO CCOC(=O)c1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1Cl ZINC001164795151 721498478 /nfs/dbraw/zinc/49/84/78/721498478.db2.gz FLPBSKCGJOGPJK-UHFFFAOYSA-N 1 0 428.964 4.188 20 0 IIADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2)C1 ZINC001164796376 721500024 /nfs/dbraw/zinc/50/00/24/721500024.db2.gz SDRDUVBZWNURGT-OAQYLSRUSA-N 1 0 447.627 4.230 20 0 IIADRO COC(=O)c1cccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ccc21 ZINC001164795414 721502203 /nfs/dbraw/zinc/50/22/03/721502203.db2.gz GLZHMCJAFOVRHO-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164796524 721524813 /nfs/dbraw/zinc/52/48/13/721524813.db2.gz ZKIMPZFUSZKBEW-TUNNFDKTSA-N 1 0 426.923 4.291 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904639 721553630 /nfs/dbraw/zinc/55/36/30/721553630.db2.gz DZOTXWXLIGDYRS-TZIWHRDSSA-N 1 0 441.510 4.173 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906571 721555091 /nfs/dbraw/zinc/55/50/91/721555091.db2.gz KCKUPUHNTLCLOM-TZIWHRDSSA-N 1 0 445.498 4.074 20 0 IIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905621 721587519 /nfs/dbraw/zinc/58/75/19/721587519.db2.gz KGLIZPQLPNQUFB-HSZRJFAPSA-N 1 0 444.526 4.170 20 0 IIADRO FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905353 721691444 /nfs/dbraw/zinc/69/14/44/721691444.db2.gz IRNIENGUWPBDGY-HSZRJFAPSA-N 1 0 437.494 4.402 20 0 IIADRO FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906213 721692169 /nfs/dbraw/zinc/69/21/69/721692169.db2.gz MERBAUCQPNTOQS-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907114 721695202 /nfs/dbraw/zinc/69/52/02/721695202.db2.gz SDHQQVBYUJQMRZ-OAQYLSRUSA-N 1 0 449.933 4.028 20 0 IIADRO FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908332 721709150 /nfs/dbraw/zinc/70/91/50/721709150.db2.gz WZKPXTFBHSXETL-QHCPKHFHSA-N 1 0 434.494 4.244 20 0 IIADRO FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906482 721712884 /nfs/dbraw/zinc/71/28/84/721712884.db2.gz MITZLUVUYSHISK-NRFANRHFSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912879 721735973 /nfs/dbraw/zinc/73/59/73/721735973.db2.gz QVLOGUIFXWBBMV-HSZRJFAPSA-N 1 0 443.542 4.178 20 0 IIADRO FC(F)(COc1ccc(Cl)nn1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015004 721768249 /nfs/dbraw/zinc/76/82/49/721768249.db2.gz LOQKHOJRAKUOGI-UHFFFAOYSA-N 1 0 431.830 4.109 20 0 IIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026634 721801732 /nfs/dbraw/zinc/80/17/32/721801732.db2.gz RQIQMYKPIBJRGN-FBBABVLZSA-N 1 0 442.991 4.352 20 0 IIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027567 721807890 /nfs/dbraw/zinc/80/78/90/721807890.db2.gz WJQSMCRWWSTZIE-DFQSSKMNSA-N 1 0 442.991 4.352 20 0 IIADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165024190 721814906 /nfs/dbraw/zinc/81/49/06/721814906.db2.gz JOPPFYKTCYOXIL-HQRMLTQVSA-N 1 0 437.975 4.424 20 0 IIADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026814 721819621 /nfs/dbraw/zinc/81/96/21/721819621.db2.gz RMIZSVHYPDFKDM-WDSOQIARSA-N 1 0 439.995 4.193 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@H]21 ZINC001165025272 721819904 /nfs/dbraw/zinc/81/99/04/721819904.db2.gz MBVWMVRKGQMMOT-QPTUXGOLSA-N 1 0 429.568 4.188 20 0 IIADRO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165025682 721823423 /nfs/dbraw/zinc/82/34/23/721823423.db2.gz NJRPPYPLWAJCGC-ZWSUVBHBSA-N 1 0 429.568 4.284 20 0 IIADRO COc1cc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c(OC)c1 ZINC001165027879 721830285 /nfs/dbraw/zinc/83/02/85/721830285.db2.gz UQFOSRGOPLTSOL-OEOAZWSVSA-N 1 0 432.568 4.384 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3ccc(Cl)cc32)CC1 ZINC001165021316 721839061 /nfs/dbraw/zinc/83/90/61/721839061.db2.gz LLBVJHBMVLWHCV-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)nc1 ZINC001164925024 721840715 /nfs/dbraw/zinc/84/07/15/721840715.db2.gz ZRJFQFREFKBCOO-QIGHUWCUSA-N 1 0 436.600 4.083 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(Cl)cccc3n2)CC1 ZINC001165021234 721841501 /nfs/dbraw/zinc/84/15/01/721841501.db2.gz IUPUAPCPELCHQK-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COC(=O)c1ccc2cc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ncc2c1 ZINC001165022023 721843018 /nfs/dbraw/zinc/84/30/18/721843018.db2.gz MVMZJXHYYYKHIE-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO CN(C)C(=O)c1cc2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2n1C1CCCC1 ZINC001165047689 721970701 /nfs/dbraw/zinc/97/07/01/721970701.db2.gz LRBYCKMSKZWXFT-FQEVSTJZSA-N 1 0 438.620 4.093 20 0 IIADRO Fc1ccc(-c2nnc(N3CC[NH+](CCc4ccccn4)CC3)c3ccccc32)cc1F ZINC001165055630 722017293 /nfs/dbraw/zinc/01/72/93/722017293.db2.gz RPTXJTXQTZIXFB-UHFFFAOYSA-N 1 0 431.490 4.335 20 0 IIADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955449 722020039 /nfs/dbraw/zinc/02/00/39/722020039.db2.gz HHGDYZIZCYQYDF-UHFFFAOYSA-N 1 0 430.552 4.299 20 0 IIADRO COc1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)c(OC)c1 ZINC001164961359 722022794 /nfs/dbraw/zinc/02/27/94/722022794.db2.gz NHKOBBNCSILUEQ-UHFFFAOYSA-N 1 0 445.567 4.048 20 0 IIADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955680 722023038 /nfs/dbraw/zinc/02/30/38/722023038.db2.gz MWCXFOKSBGFUCD-UHFFFAOYSA-N 1 0 432.906 4.044 20 0 IIADRO Clc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2sccc2n1 ZINC001164962460 722054790 /nfs/dbraw/zinc/05/47/90/722054790.db2.gz DUDWJCGJXVLZGR-UHFFFAOYSA-N 1 0 428.989 4.464 20 0 IIADRO Clc1nc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C2CC2)n1 ZINC001164965606 722062546 /nfs/dbraw/zinc/06/25/46/722062546.db2.gz KZXVXVVAIFYNAZ-UHFFFAOYSA-N 1 0 448.398 4.175 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966552 722075789 /nfs/dbraw/zinc/07/57/89/722075789.db2.gz APQFLNNWFPECSI-CALCHBBNSA-N 1 0 426.611 4.336 20 0 IIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982134 722103082 /nfs/dbraw/zinc/10/30/82/722103082.db2.gz MZAZAWIMCPJARV-CRAIPNDOSA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986253 722107528 /nfs/dbraw/zinc/10/75/28/722107528.db2.gz YNYVDLQSVWAQQO-GOEBONIOSA-N 1 0 427.763 4.164 20 0 IIADRO Fc1ccc2cc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983426 722107783 /nfs/dbraw/zinc/10/77/83/722107783.db2.gz QBJIXJHFQMXCDE-GHTZIAJQSA-N 1 0 426.923 4.150 20 0 IIADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983430 722108019 /nfs/dbraw/zinc/10/80/19/722108019.db2.gz QBJIXJHFQMXCDE-WIYYLYMNSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975006 722110239 /nfs/dbraw/zinc/11/02/39/722110239.db2.gz JFBDYWWBKRNOLN-UZLBHIALSA-N 1 0 444.366 4.059 20 0 IIADRO Cc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982469 722129014 /nfs/dbraw/zinc/12/90/14/722129014.db2.gz WPOYLCBGSGVXNY-SIKLNZKXSA-N 1 0 437.975 4.022 20 0 IIADRO C[N@H+](Cc1ccc(N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1)C1CC1 ZINC001164975452 722161050 /nfs/dbraw/zinc/16/10/50/722161050.db2.gz SXGFYRXTJCWYFR-UHFFFAOYSA-N 1 0 430.596 4.361 20 0 IIADRO COC(=O)c1cc2c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996665 722205441 /nfs/dbraw/zinc/20/54/41/722205441.db2.gz UZDHBMGYILOCGC-QHCPKHFHSA-N 1 0 442.922 4.387 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccc3ccnc(Cl)c31)CCC2 ZINC001165002918 722254677 /nfs/dbraw/zinc/25/46/77/722254677.db2.gz XLOOIBJFVCLMDI-UHFFFAOYSA-N 1 0 449.933 4.118 20 0 IIADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000480455454 1126094756 /nfs/dbraw/zinc/09/47/56/1126094756.db2.gz UDZRYKPGVKQNAA-OAQYLSRUSA-N 1 0 445.332 4.255 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507951424 1126095191 /nfs/dbraw/zinc/09/51/91/1126095191.db2.gz UMPAKDXIWSKFEP-CQSZACIVSA-N 1 0 425.273 4.225 20 0 IIADRO O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000507949036 1126095288 /nfs/dbraw/zinc/09/52/88/1126095288.db2.gz FSVHQLCVOCLIFI-GOEBONIOSA-N 1 0 436.243 4.377 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000523842093 1126095926 /nfs/dbraw/zinc/09/59/26/1126095926.db2.gz FRSMSUQTOKUSCJ-KRWDZBQOSA-N 1 0 425.330 4.014 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Br ZINC000556731024 1126097011 /nfs/dbraw/zinc/09/70/11/1126097011.db2.gz AIQLCHAUAFQPRV-AWEZNQCLSA-N 1 0 447.142 4.053 20 0 IIADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cn1 ZINC000756118022 1126106964 /nfs/dbraw/zinc/10/69/64/1126106964.db2.gz JXWVUKDOQDCFSR-AEFFLSMTSA-N 1 0 425.451 4.053 20 0 IIADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000754078198 1126107008 /nfs/dbraw/zinc/10/70/08/1126107008.db2.gz CGHYFBVMPQHEEQ-IEBWSBKVSA-N 1 0 433.371 4.147 20 0 IIADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC001179278275 1126152097 /nfs/dbraw/zinc/15/20/97/1126152097.db2.gz SWFDLOZXHMBSTN-KRWDZBQOSA-N 1 0 446.158 4.016 20 0 IIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC001202073513 1126157085 /nfs/dbraw/zinc/15/70/85/1126157085.db2.gz DFWVZISBETVQFA-RUZDIDTESA-N 1 0 427.548 4.300 20 0 IIADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC001203283040 1126158186 /nfs/dbraw/zinc/15/81/86/1126158186.db2.gz OEPLKGPHIBDEIT-OAQYLSRUSA-N 1 0 432.337 4.166 20 0 IIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001308263603 1126164607 /nfs/dbraw/zinc/16/46/07/1126164607.db2.gz FOJFRAALMYQKMK-CQSZACIVSA-N 1 0 431.359 4.075 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(O)c1Br ZINC001308478791 1126166176 /nfs/dbraw/zinc/16/61/76/1126166176.db2.gz BTZGIBIDOVHZMV-KRWDZBQOSA-N 1 0 429.152 4.001 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC001460858336 1126192477 /nfs/dbraw/zinc/19/24/77/1126192477.db2.gz LALCVXSQEKNJJA-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc2)cc1 ZINC001460874020 1126193468 /nfs/dbraw/zinc/19/34/68/1126193468.db2.gz ZYYWOHWHRQOASP-XMMPIXPASA-N 1 0 427.541 4.050 20 0 IIADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC001461200228 1126193729 /nfs/dbraw/zinc/19/37/29/1126193729.db2.gz CIBOUUWJYHQDPZ-SFHVURJKSA-N 1 0 439.357 4.118 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1OC ZINC001473840112 1126200374 /nfs/dbraw/zinc/20/03/74/1126200374.db2.gz QSHPDKSVMDDRHO-IBGZPJMESA-N 1 0 428.754 4.203 20 0 IIADRO COc1ccc(-c2cnc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)o2)cc1 ZINC001473840175 1126200724 /nfs/dbraw/zinc/20/07/24/1126200724.db2.gz RZTIZGUCQWCKBH-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(-c3ccccc3Br)o2)cc1 ZINC001560183205 1126208745 /nfs/dbraw/zinc/20/87/45/1126208745.db2.gz WUXAIRZELHQKJU-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC001560441170 1126210793 /nfs/dbraw/zinc/21/07/93/1126210793.db2.gz SHTDQVREGJMNHV-MRXNPFEDSA-N 1 0 443.179 4.222 20 0 IIADRO O[C@@H](COc1ccccc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043018327 563117041 /nfs/dbraw/zinc/11/70/41/563117041.db2.gz CZFBPJXRVVEFJL-MRXNPFEDSA-N 1 0 429.866 4.082 20 0 IIADRO Clc1ncc2c(c1N1CC[C@@H]3COC[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164389121 718818473 /nfs/dbraw/zinc/81/84/73/718818473.db2.gz TZEQXQLJAKXRDN-UXHICEINSA-N 1 0 439.987 4.229 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164406898 718865476 /nfs/dbraw/zinc/86/54/76/718865476.db2.gz HTCMPXWVMZVYQX-YWZLYKJASA-N 1 0 444.913 4.310 20 0 IIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164406493 718865791 /nfs/dbraw/zinc/86/57/91/718865791.db2.gz HDPAZYRALMLUKI-FXAWDEMLSA-N 1 0 436.934 4.280 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423282 718944757 /nfs/dbraw/zinc/94/47/57/718944757.db2.gz GTVLHTGRSBJYQT-NHCUHLMSSA-N 1 0 445.636 4.242 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C)nc(-c4ccccc4)nc3Cl)CC2)CC1 ZINC001164618900 719032865 /nfs/dbraw/zinc/03/28/65/719032865.db2.gz ZWRPDCOZWIUMFH-UHFFFAOYSA-N 1 0 442.991 4.349 20 0 IIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1 ZINC001164624231 719098301 /nfs/dbraw/zinc/09/83/01/719098301.db2.gz DQYNZZTVCNHYDB-GMAHTHKFSA-N 1 0 428.536 4.016 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)c2c1CC[NH2+]C2 ZINC001164681831 719614357 /nfs/dbraw/zinc/61/43/57/719614357.db2.gz AYOCYSUMYPRNRN-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO Cc1nc(C(C)C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685277 719658654 /nfs/dbraw/zinc/65/86/54/719658654.db2.gz YYIQBGZRLVLZAI-OAQYLSRUSA-N 1 0 449.643 4.002 20 0 IIADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(C)(C)C)cn3)CC2)c2ccccc21 ZINC001164685443 719682832 /nfs/dbraw/zinc/68/28/32/719682832.db2.gz JZTGVACMSWLCCG-NRFANRHFSA-N 1 0 448.655 4.473 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(=O)OC(C)(C)C)ccn2)CC3)cs1 ZINC001164691483 719805329 /nfs/dbraw/zinc/80/53/29/719805329.db2.gz IARXGCXHIBVMNP-UHFFFAOYSA-N 1 0 428.602 4.437 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691996 719808692 /nfs/dbraw/zinc/80/86/92/719808692.db2.gz DXKQIXQYYUGSQU-UHFFFAOYSA-N 1 0 435.597 4.456 20 0 IIADRO COc1cc2c(cc1F)ncnc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691287 719811130 /nfs/dbraw/zinc/81/11/30/719811130.db2.gz DLYDJSQRPMEWOW-UHFFFAOYSA-N 1 0 427.549 4.177 20 0 IIADRO COC(=O)c1ccc2cc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ncc2c1 ZINC001164691231 719812843 /nfs/dbraw/zinc/81/28/43/719812843.db2.gz BHRUAOUKQSEQNF-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO CSc1nc2sccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694962 719887365 /nfs/dbraw/zinc/88/73/65/719887365.db2.gz IMESFJAPIXJZFT-UHFFFAOYSA-N 1 0 432.640 4.346 20 0 IIADRO Cc1nc2sc3c(c2c(N2CCC4(CC2)C[N@H+](Cc2cccs2)CCO4)n1)CCC3 ZINC001164698346 719897591 /nfs/dbraw/zinc/89/75/91/719897591.db2.gz RSALPCVOYJQQDC-UHFFFAOYSA-N 1 0 440.638 4.421 20 0 IIADRO COc1ccccc1-c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164707283 719898517 /nfs/dbraw/zinc/89/85/17/719898517.db2.gz OCNVOTCHMLVIGV-UHFFFAOYSA-N 1 0 436.581 4.085 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164719507 720111323 /nfs/dbraw/zinc/11/13/23/720111323.db2.gz XRBGEUHSAWGPHA-FQEVSTJZSA-N 1 0 437.975 4.186 20 0 IIADRO CCc1cc2c(ncnc2N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)s1 ZINC001164714307 720117000 /nfs/dbraw/zinc/11/70/00/720117000.db2.gz BTLMYPNHDMMCJQ-IBGZPJMESA-N 1 0 437.613 4.156 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164716393 720125453 /nfs/dbraw/zinc/12/54/53/720125453.db2.gz KUPSYPKSFKMCNT-OAQYLSRUSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164711190 720139161 /nfs/dbraw/zinc/13/91/61/720139161.db2.gz FXADYDKBQZMSSN-LJQANCHMSA-N 1 0 439.991 4.427 20 0 IIADRO CCc1nc2sccc2c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711287 720150719 /nfs/dbraw/zinc/15/07/19/720150719.db2.gz GZWKFYRACZRNJP-IBGZPJMESA-N 1 0 437.613 4.156 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816069 720162746 /nfs/dbraw/zinc/16/27/46/720162746.db2.gz KFNLAQDIPJSTAY-MHECFPHRSA-N 1 0 426.630 4.063 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812383 720192221 /nfs/dbraw/zinc/19/22/21/720192221.db2.gz ACLCCZNQTJWDPS-OYHNWAKOSA-N 1 0 436.934 4.406 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814150 720201685 /nfs/dbraw/zinc/20/16/85/720201685.db2.gz SYQIJZLRJDDRKV-UYAOXDASSA-N 1 0 425.951 4.040 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810171 720206015 /nfs/dbraw/zinc/20/60/15/720206015.db2.gz ABFBXVHYPXDIRS-WIYYLYMNSA-N 1 0 425.951 4.342 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001164827501 720351659 /nfs/dbraw/zinc/35/16/59/720351659.db2.gz MJYJCCRYCWEZRC-RTBURBONSA-N 1 0 447.410 4.453 20 0 IIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164724711 720375903 /nfs/dbraw/zinc/37/59/03/720375903.db2.gz LCQGAAYNKUIZAR-DNQXCXABSA-N 1 0 434.547 4.454 20 0 IIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726891 720444246 /nfs/dbraw/zinc/44/42/46/720444246.db2.gz CGFFSTSJMBTVGM-OALUTQOASA-N 1 0 425.895 4.310 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730282 720458102 /nfs/dbraw/zinc/45/81/02/720458102.db2.gz JEJPNSSYUMXGSJ-XJUOHMSHSA-N 1 0 439.922 4.173 20 0 IIADRO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735675 720462122 /nfs/dbraw/zinc/46/21/22/720462122.db2.gz XLIZRUDWJISTLG-MOPGFXCFSA-N 1 0 430.537 4.108 20 0 IIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164722956 720475139 /nfs/dbraw/zinc/47/51/39/720475139.db2.gz BMXXUNKQVPTUSI-IZZNHLLZSA-N 1 0 437.547 4.457 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834390 720506779 /nfs/dbraw/zinc/50/67/79/720506779.db2.gz FVFRHHXODGRZJR-QWFCFKBJSA-N 1 0 439.991 4.471 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC001164733765 720523466 /nfs/dbraw/zinc/52/34/66/720523466.db2.gz LCCOECRXZQEZQG-HNNXBMFYSA-N 1 0 438.988 4.406 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)nc1 ZINC001164734409 720542176 /nfs/dbraw/zinc/54/21/76/720542176.db2.gz IDISEARXPGTJQR-JQYIIUTOSA-N 1 0 436.600 4.478 20 0 IIADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840734 720568788 /nfs/dbraw/zinc/56/87/88/720568788.db2.gz SRKLHTDTXQRSFB-SVFBPWRDSA-N 1 0 430.556 4.259 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]21 ZINC001164843602 720614087 /nfs/dbraw/zinc/61/40/87/720614087.db2.gz YMIAAHWBEUZAIQ-RRPUWOKSSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]21 ZINC001164844129 720621069 /nfs/dbraw/zinc/62/10/69/720621069.db2.gz YXOWQIAIXHJZRF-HKBOAZHASA-N 1 0 436.991 4.371 20 0 IIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840590 720637543 /nfs/dbraw/zinc/63/75/43/720637543.db2.gz PXDQKMSZOKJNKP-BGWNEDDSSA-N 1 0 434.563 4.165 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]21 ZINC001164837611 720645730 /nfs/dbraw/zinc/64/57/30/720645730.db2.gz DKMJPEMJEIZQCE-IKGGRYGDSA-N 1 0 435.403 4.235 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164840465 720672881 /nfs/dbraw/zinc/67/28/81/720672881.db2.gz MRBWCOWKLPSQBQ-DEOSSOPVSA-N 1 0 444.579 4.316 20 0 IIADRO COC(=O)c1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc2c1 ZINC001164840504 720685270 /nfs/dbraw/zinc/68/52/70/720685270.db2.gz FRJKGSIWTUOCSF-QHCPKHFHSA-N 1 0 445.563 4.281 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164842688 720692984 /nfs/dbraw/zinc/69/29/84/720692984.db2.gz MPAJGSSOEGNEDB-HXUWFJFHSA-N 1 0 443.975 4.172 20 0 IIADRO COC(=O)c1ccc2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164836411 720708668 /nfs/dbraw/zinc/70/86/68/720708668.db2.gz ACFIIPMUOGFPJT-DEOSSOPVSA-N 1 0 445.563 4.281 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164842901 720725753 /nfs/dbraw/zinc/72/57/53/720725753.db2.gz ZYCLJAJBPPXGRC-OAQYLSRUSA-N 1 0 449.986 4.452 20 0 IIADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838000 720736933 /nfs/dbraw/zinc/73/69/33/720736933.db2.gz POWHNTBIUNTPQR-UHFFFAOYSA-N 1 0 438.935 4.139 20 0 IIADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837470 720737280 /nfs/dbraw/zinc/73/72/80/720737280.db2.gz KRZGKEQMECOHDP-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO O=C1CC[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844805 720763567 /nfs/dbraw/zinc/76/35/67/720763567.db2.gz CZAFQADCCDOMMB-UIOOFZCWSA-N 1 0 438.575 4.414 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745216 720838190 /nfs/dbraw/zinc/83/81/90/720838190.db2.gz MWTWPNBYLVJTPM-KCZVDYSFSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748407 720880038 /nfs/dbraw/zinc/88/00/38/720880038.db2.gz DQXFMICVFNKZEP-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164746529 720919460 /nfs/dbraw/zinc/91/94/60/720919460.db2.gz BKGCAIGYRZFQHI-GJZUVCINSA-N 1 0 432.568 4.286 20 0 IIADRO COc1ccc(Oc2cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc(C)n2)cc1 ZINC001164857330 721015547 /nfs/dbraw/zinc/01/55/47/721015547.db2.gz DCLXTVYSPGXMMT-KRWDZBQOSA-N 1 0 436.560 4.204 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@@H]2C ZINC001164858817 721015572 /nfs/dbraw/zinc/01/55/72/721015572.db2.gz HMSDKZNTYVKQPK-MRXNPFEDSA-N 1 0 433.585 4.371 20 0 IIADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760588 721044273 /nfs/dbraw/zinc/04/42/73/721044273.db2.gz XAHGIYKCWYRUCY-UHFFFAOYSA-N 1 0 442.991 4.498 20 0 IIADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865459 721076815 /nfs/dbraw/zinc/07/68/15/721076815.db2.gz LLRIGQZORBRNNQ-GOTSBHOMSA-N 1 0 437.547 4.172 20 0 IIADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879452 721167407 /nfs/dbraw/zinc/16/74/07/721167407.db2.gz SGNQNCCRFZUMHW-UXHICEINSA-N 1 0 444.913 4.308 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776126 721327516 /nfs/dbraw/zinc/32/75/16/721327516.db2.gz CSSXZVICMZGRJZ-RBBKRZOGSA-N 1 0 440.563 4.370 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777438 721344947 /nfs/dbraw/zinc/34/49/47/721344947.db2.gz HDMXFJYHLUICLL-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889970 721410238 /nfs/dbraw/zinc/41/02/38/721410238.db2.gz RXPMQVFQAIMMHD-RCZVLFRGSA-N 1 0 441.019 4.167 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164783578 721450845 /nfs/dbraw/zinc/45/08/45/721450845.db2.gz CIXNSSGPKUCYMT-GOSISDBHSA-N 1 0 428.404 4.122 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164784508 721452737 /nfs/dbraw/zinc/45/27/37/721452737.db2.gz FUJIHOKRLRERQL-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164783527 721454091 /nfs/dbraw/zinc/45/40/91/721454091.db2.gz CGBQIGDIPWFDGJ-FQEVSTJZSA-N 1 0 445.007 4.017 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164791727 721490405 /nfs/dbraw/zinc/49/04/05/721490405.db2.gz FBVFRHLPSYEATL-UHFFFAOYSA-N 1 0 447.627 4.420 20 0 IIADRO COc1ccccc1-c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncn1 ZINC001164795723 721500846 /nfs/dbraw/zinc/50/08/46/721500846.db2.gz KREPSLNUARVLHI-UHFFFAOYSA-N 1 0 429.568 4.428 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164900812 721519082 /nfs/dbraw/zinc/51/90/82/721519082.db2.gz UXVMQEMOBGIORU-WMZOPIPTSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@@H+]3C2)c1 ZINC001164903831 721531725 /nfs/dbraw/zinc/53/17/25/721531725.db2.gz DGTIDJIBRGKHEY-AZUAARDMSA-N 1 0 429.499 4.106 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@@H+]3C2)c1 ZINC001164907139 721541210 /nfs/dbraw/zinc/54/12/10/721541210.db2.gz MGHPCJDWMMWTOT-MJGOQNOKSA-N 1 0 448.876 4.309 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800677 721581686 /nfs/dbraw/zinc/58/16/86/721581686.db2.gz CKSSDZCCHJXQCV-QNWVGRARSA-N 1 0 449.986 4.369 20 0 IIADRO FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906694 721587526 /nfs/dbraw/zinc/58/75/26/721587526.db2.gz OPHXBAXULVTWIY-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808325 721588221 /nfs/dbraw/zinc/58/82/21/721588221.db2.gz QOTNQMHMGURCHE-LDTOTXGLSA-N 1 0 429.996 4.215 20 0 IIADRO Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903557 721701078 /nfs/dbraw/zinc/70/10/78/721701078.db2.gz ABSLHCXUDVIXCA-QHCPKHFHSA-N 1 0 439.485 4.415 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH]1 ZINC001164906436 721720248 /nfs/dbraw/zinc/72/02/48/721720248.db2.gz LWWVBINOBBCQHI-NRFANRHFSA-N 1 0 446.933 4.306 20 0 IIADRO Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911752 721729940 /nfs/dbraw/zinc/72/99/40/721729940.db2.gz KEIATCQLIUKMGQ-QHCPKHFHSA-N 1 0 439.485 4.415 20 0 IIADRO FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913548 721738551 /nfs/dbraw/zinc/73/85/51/721738551.db2.gz WXMXRJAAXOZDEJ-QHCPKHFHSA-N 1 0 438.526 4.358 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026927 721802691 /nfs/dbraw/zinc/80/26/91/721802691.db2.gz SNTNFFLMIRRXHC-VNQPRFMTSA-N 1 0 442.341 4.460 20 0 IIADRO COc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c(Cl)nc2c1 ZINC001165026404 721809347 /nfs/dbraw/zinc/80/93/47/721809347.db2.gz PUHAORKUFRTNSS-BPXKWBHBSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]21 ZINC001165027790 721815331 /nfs/dbraw/zinc/81/53/31/721815331.db2.gz VXTUILDEQGNKGD-WWPVKYPJSA-N 1 0 440.035 4.463 20 0 IIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021670 721815353 /nfs/dbraw/zinc/81/53/53/721815353.db2.gz FXBCECOXXZQING-YYWHXJBOSA-N 1 0 442.991 4.352 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165024223 721815941 /nfs/dbraw/zinc/81/59/41/721815941.db2.gz JZHZQLZFGWOAIM-CGTJXYLNSA-N 1 0 436.934 4.420 20 0 IIADRO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165025555 721818700 /nfs/dbraw/zinc/81/87/00/721818700.db2.gz NQAUIQMYJRMOLX-GRYUFTJMSA-N 1 0 429.568 4.284 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@@H]21 ZINC001165025269 721819935 /nfs/dbraw/zinc/81/99/35/721819935.db2.gz MBVWMVRKGQMMOT-OEMFJLHTSA-N 1 0 429.568 4.188 20 0 IIADRO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165025226 721824210 /nfs/dbraw/zinc/82/42/10/721824210.db2.gz MGJFADONTKJYGM-ZWSUVBHBSA-N 1 0 429.568 4.284 20 0 IIADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001165026342 721828057 /nfs/dbraw/zinc/82/80/57/721828057.db2.gz OWUIBOPKHREHTI-KUWBRRTOSA-N 1 0 430.552 4.153 20 0 IIADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)s1 ZINC001165027475 721828569 /nfs/dbraw/zinc/82/85/69/721828569.db2.gz SEBZAALRQMKDEM-RCZSKKKRSA-N 1 0 434.613 4.349 20 0 IIADRO COc1ccc2nc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c(C)nc2c1 ZINC001165021267 721844311 /nfs/dbraw/zinc/84/43/11/721844311.db2.gz KARGJGJGGYYILN-UHFFFAOYSA-N 1 0 436.556 4.065 20 0 IIADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[NH+](C[C@H]4CCCO4)CC3)c2)cn1 ZINC001165036208 721914832 /nfs/dbraw/zinc/91/48/32/721914832.db2.gz AEBCQWNBTBAFFL-HXUWFJFHSA-N 1 0 443.975 4.139 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(C)(C)C)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164940651 721929526 /nfs/dbraw/zinc/92/95/26/721929526.db2.gz VOFOUOBHAMZWLE-UHFFFAOYSA-N 1 0 433.600 4.435 20 0 IIADRO COc1cc(C)c2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164941362 721933847 /nfs/dbraw/zinc/93/38/47/721933847.db2.gz HAPOUNXZVXDMAL-UHFFFAOYSA-N 1 0 432.568 4.127 20 0 IIADRO Clc1nc2c(c(N3CCCC[C@H]3CC[NH+]3CCCC3)n1)CN(Cc1ccccc1)C2 ZINC001165049749 721968065 /nfs/dbraw/zinc/96/80/65/721968065.db2.gz WNHMVMSJCLSOHE-FQEVSTJZSA-N 1 0 426.008 4.491 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955719 722012886 /nfs/dbraw/zinc/01/28/86/722012886.db2.gz YATFQPZTHKSFFD-UHFFFAOYSA-N 1 0 428.314 4.216 20 0 IIADRO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975539 722107387 /nfs/dbraw/zinc/10/73/87/722107387.db2.gz CHZBJQCYCLTIDP-QUCCMNQESA-N 1 0 437.613 4.111 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984192 722130469 /nfs/dbraw/zinc/13/04/69/722130469.db2.gz WIFYVBWNFUHEJU-GCJKJVERSA-N 1 0 438.959 4.019 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982256 722135847 /nfs/dbraw/zinc/13/58/47/722135847.db2.gz RLMBEUTZWUNEJP-KNQAVFIVSA-N 1 0 430.980 4.036 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971132 722154067 /nfs/dbraw/zinc/15/40/67/722154067.db2.gz ATWXYHDTESNOJM-RBBKRZOGSA-N 1 0 442.007 4.300 20 0 IIADRO Cc1cc(NC(=O)c2cccnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)no1 ZINC001164995393 722207725 /nfs/dbraw/zinc/20/77/25/722207725.db2.gz NMTJNJVMUSUGTJ-DEOSSOPVSA-N 1 0 435.503 4.014 20 0 IIADRO Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996498 722211596 /nfs/dbraw/zinc/21/15/96/722211596.db2.gz NPZJSOWBPQVJOT-SANMLTNESA-N 1 0 445.542 4.421 20 0 IIADRO NC(=S)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995708 722213482 /nfs/dbraw/zinc/21/34/82/722213482.db2.gz KBJSWPUIRXHFSI-QFIPXVFZSA-N 1 0 426.586 4.315 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccsc3)nc3ccccc31)CCC2 ZINC001165003501 722256832 /nfs/dbraw/zinc/25/68/32/722256832.db2.gz FICIWEWGDUMILS-UHFFFAOYSA-N 1 0 448.596 4.043 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC001179278277 1126152007 /nfs/dbraw/zinc/15/20/07/1126152007.db2.gz SWFDLOZXHMBSTN-QGZVFWFLSA-N 1 0 446.158 4.016 20 0 IIADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1Br ZINC001202024722 1126156893 /nfs/dbraw/zinc/15/68/93/1126156893.db2.gz FWQCNMZGXKAUOR-CRAIPNDOSA-N 1 0 440.353 4.271 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1c(F)cccc1Br ZINC001308117836 1126163613 /nfs/dbraw/zinc/16/36/13/1126163613.db2.gz NGRCJYJVXHQVKX-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cs2)c1 ZINC001460867150 1126192858 /nfs/dbraw/zinc/19/28/58/1126192858.db2.gz HPDHVLVGXJKWFP-XMMPIXPASA-N 1 0 441.572 4.164 20 0 IIADRO COc1ccc(-c2cnc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)o2)cc1 ZINC001473840174 1126200527 /nfs/dbraw/zinc/20/05/27/1126200527.db2.gz RZTIZGUCQWCKBH-NRFANRHFSA-N 1 0 431.330 4.196 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001560183557 1126209253 /nfs/dbraw/zinc/20/92/53/1126209253.db2.gz SBPGBIWLUQFYHE-OAQYLSRUSA-N 1 0 428.330 4.115 20 0 IIADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)ccc1OCc1ccncc1 ZINC001560563318 1126212930 /nfs/dbraw/zinc/21/29/30/1126212930.db2.gz CVOTXGQWQZSHMG-DEOSSOPVSA-N 1 0 426.944 4.406 20 0 IIADRO COc1ccc(-n2c(C[NH2+][C@](C)(CO)Cc3ccccc3OC)nc3ccccc32)cc1 ZINC001620537005 1126240839 /nfs/dbraw/zinc/24/08/39/1126240839.db2.gz KHMCDOYQDUSURE-SANMLTNESA-N 1 0 431.536 4.126 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1OC ZINC001621057803 1126245762 /nfs/dbraw/zinc/24/57/62/1126245762.db2.gz TXONXZLUGNFXOJ-XMMPIXPASA-N 1 0 426.488 4.114 20 0 IIADRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789701 1126242797 /nfs/dbraw/zinc/24/27/97/1126242797.db2.gz GJWFJXDWBPNPPF-OFNKIYASSA-N 1 0 446.469 4.293 20 0 IIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000022770766 527202296 /nfs/dbraw/zinc/20/22/96/527202296.db2.gz JVZNLSSWIORLMU-QHCPKHFHSA-N 1 0 425.548 4.130 20 0 IIADRO OCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000040743694 527542291 /nfs/dbraw/zinc/54/22/91/527542291.db2.gz BQUJUUULSLBDIR-UHFFFAOYSA-N 1 0 429.152 4.263 20 0 IIADRO Clc1ncc2c(c1N1CC[C@@H]3COC[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164389123 718818685 /nfs/dbraw/zinc/81/86/85/718818685.db2.gz TZEQXQLJAKXRDN-WOJBJXKFSA-N 1 0 439.987 4.229 20 0 IIADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164392238 718826288 /nfs/dbraw/zinc/82/62/88/718826288.db2.gz ZNJJRLPXHDXFJB-MOPGFXCFSA-N 1 0 430.886 4.062 20 0 IIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164406497 718865744 /nfs/dbraw/zinc/86/57/44/718865744.db2.gz HDPAZYRALMLUKI-XLIONFOSSA-N 1 0 436.934 4.280 20 0 IIADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164413123 718882177 /nfs/dbraw/zinc/88/21/77/718882177.db2.gz BRMGIAZHKUDLFY-SECBINFHSA-N 1 0 441.857 4.024 20 0 IIADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164423146 718945487 /nfs/dbraw/zinc/94/54/87/718945487.db2.gz FQCSRAIHGKWLRR-NHCUHLMSSA-N 1 0 445.636 4.242 20 0 IIADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164429854 718955775 /nfs/dbraw/zinc/95/57/75/718955775.db2.gz QDEWDSLSWGKWHF-NRFANRHFSA-N 1 0 442.003 4.467 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164614292 719007221 /nfs/dbraw/zinc/00/72/21/719007221.db2.gz DTYRVNDLVCOGNB-KXBFYZLASA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cc(Cl)ccc43)CC2)CC1 ZINC001164616963 719026702 /nfs/dbraw/zinc/02/67/02/719026702.db2.gz GAMBQRXMRBWQDC-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(C)c(C)cc4nc3Cl)CC2)CC1 ZINC001164617368 719028939 /nfs/dbraw/zinc/02/89/39/719028939.db2.gz KOTOQPPCTVUXDG-UHFFFAOYSA-N 1 0 430.980 4.144 20 0 IIADRO Clc1nc2c(c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164628312 719045124 /nfs/dbraw/zinc/04/51/24/719045124.db2.gz XYLHAISYJZIGIY-GJZUVCINSA-N 1 0 445.998 4.229 20 0 IIADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624932 719084901 /nfs/dbraw/zinc/08/49/01/719084901.db2.gz MAFZNTIUGURWFF-GMAHTHKFSA-N 1 0 442.542 4.115 20 0 IIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624949 719107323 /nfs/dbraw/zinc/10/73/23/719107323.db2.gz FPXQGWUYEVLRJD-ZWKOTPCHSA-N 1 0 445.901 4.431 20 0 IIADRO Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1-c1ccccc1 ZINC001164670303 719445610 /nfs/dbraw/zinc/44/56/10/719445610.db2.gz NTWQOVBCFHOTGZ-UXHICEINSA-N 1 0 443.576 4.248 20 0 IIADRO Cc1ccc(-c2csc3ncnc(-n4nc(CN(C)C(C)C)c5c4C[NH2+]CC5)c23)cc1 ZINC001164683461 719616738 /nfs/dbraw/zinc/61/67/38/719616738.db2.gz JDUYGIGZWGMNPX-UHFFFAOYSA-N 1 0 432.597 4.338 20 0 IIADRO CC(C)N(C)Cc1nn(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682378 719620115 /nfs/dbraw/zinc/62/01/15/719620115.db2.gz MTGNRRPYUMJYMD-UHFFFAOYSA-N 1 0 438.579 4.482 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683568 719630222 /nfs/dbraw/zinc/63/02/22/719630222.db2.gz SVYJZRJJBYNQGB-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679445 719638062 /nfs/dbraw/zinc/63/80/62/719638062.db2.gz APTPATTYFLWTIR-UHFFFAOYSA-N 1 0 448.521 4.247 20 0 IIADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)c2c1CC[NH2+]C2 ZINC001164679479 719646746 /nfs/dbraw/zinc/64/67/46/719646746.db2.gz BWVVARSKVUHIMP-UHFFFAOYSA-N 1 0 446.933 4.077 20 0 IIADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CC2 ZINC001164690278 719744703 /nfs/dbraw/zinc/74/47/03/719744703.db2.gz YDBKTEVACRMQNE-UHFFFAOYSA-N 1 0 447.608 4.053 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(=O)NC(C)(C)C)ccn2)CC3)cs1 ZINC001164691269 719811753 /nfs/dbraw/zinc/81/17/53/719811753.db2.gz CLDAZMKMGSSBSO-UHFFFAOYSA-N 1 0 427.618 4.010 20 0 IIADRO COc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c(Cl)nc2c1 ZINC001164695731 719890707 /nfs/dbraw/zinc/89/07/07/719890707.db2.gz UAQLPOJJRNQDNV-UHFFFAOYSA-N 1 0 444.988 4.225 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164710735 720102994 /nfs/dbraw/zinc/10/29/94/720102994.db2.gz LMMRIOJSYVNBIK-HXUWFJFHSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810544 720107473 /nfs/dbraw/zinc/10/74/73/720107473.db2.gz JZHYUEIPEWYLIA-UWJYYQICSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810542 720108143 /nfs/dbraw/zinc/10/81/43/720108143.db2.gz JZHYUEIPEWYLIA-UTKZUKDTSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164714902 720110322 /nfs/dbraw/zinc/11/03/22/720110322.db2.gz DUMBHHGMPRXCSU-QGZVFWFLSA-N 1 0 444.004 4.247 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813354 720127948 /nfs/dbraw/zinc/12/79/48/720127948.db2.gz QHROBNRWEOZTNI-BEFAXECRSA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164713935 720138974 /nfs/dbraw/zinc/13/89/74/720138974.db2.gz UEWQIMNYTUPTQH-QHCPKHFHSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164712589 720151884 /nfs/dbraw/zinc/15/18/84/720151884.db2.gz NSFONLXDMNYNHU-HSZRJFAPSA-N 1 0 436.600 4.053 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819046 720175776 /nfs/dbraw/zinc/17/57/76/720175776.db2.gz VSRAIEQAPCPTFM-GBXCKJPGSA-N 1 0 426.992 4.290 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164812822 720219001 /nfs/dbraw/zinc/21/90/01/720219001.db2.gz JGTYEWVQOPJITQ-UHFFFAOYSA-N 1 0 425.964 4.004 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816831 720259272 /nfs/dbraw/zinc/25/92/72/720259272.db2.gz MYHUHLAXBIYAJQ-YPAWHYETSA-N 1 0 439.629 4.163 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2cc(Cl)ccc12 ZINC001164827881 720327589 /nfs/dbraw/zinc/32/75/89/720327589.db2.gz IZMOXQZAKSUSBI-FCHUYYIVSA-N 1 0 426.992 4.108 20 0 IIADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729416 720417822 /nfs/dbraw/zinc/41/78/22/720417822.db2.gz HJZJDQSMEJPNSZ-RPBOFIJWSA-N 1 0 442.563 4.432 20 0 IIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730907 720433169 /nfs/dbraw/zinc/43/31/69/720433169.db2.gz JPGBEAHJFGRIRD-PMACEKPBSA-N 1 0 436.943 4.313 20 0 IIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164735726 720435590 /nfs/dbraw/zinc/43/55/90/720435590.db2.gz YCEWAZLJROIKRZ-ZWKOTPCHSA-N 1 0 425.895 4.310 20 0 IIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722950 720477802 /nfs/dbraw/zinc/47/78/02/720477802.db2.gz BHCJYIKVIHTHDQ-RTBURBONSA-N 1 0 425.895 4.310 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164731236 720510252 /nfs/dbraw/zinc/51/02/52/720510252.db2.gz OMRDWFILAAMANH-MRXNPFEDSA-N 1 0 431.918 4.341 20 0 IIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC001164733767 720523180 /nfs/dbraw/zinc/52/31/80/720523180.db2.gz LCCOECRXZQEZQG-OAHLLOKOSA-N 1 0 438.988 4.406 20 0 IIADRO Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001164734502 720534700 /nfs/dbraw/zinc/53/47/00/720534700.db2.gz JFXDHUGTCVIZSF-INIZCTEOSA-N 1 0 446.933 4.045 20 0 IIADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838598 720544534 /nfs/dbraw/zinc/54/45/34/720544534.db2.gz ORRAOUGBRGHMIK-SFGWALBWSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]21 ZINC001164839165 720547704 /nfs/dbraw/zinc/54/77/04/720547704.db2.gz PRKTUFVSWSARAM-URVUXULASA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(OCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840101 720580467 /nfs/dbraw/zinc/58/04/67/720580467.db2.gz OZXRVBWXSAJPFP-TZRRMPRUSA-N 1 0 431.584 4.235 20 0 IIADRO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836188 720587279 /nfs/dbraw/zinc/58/72/79/720587279.db2.gz FDPDADFQZXZBMR-CNNODRBYSA-N 1 0 432.012 4.488 20 0 IIADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843607 720600790 /nfs/dbraw/zinc/60/07/90/720600790.db2.gz YPDQDNFPPWPKPB-IPMKNSEASA-N 1 0 431.028 4.310 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC[C@@H]21 ZINC001164841074 720647425 /nfs/dbraw/zinc/64/74/25/720647425.db2.gz PDJCALFVBGSOHN-HOJAQTOUSA-N 1 0 449.977 4.429 20 0 IIADRO CCCN(CCC)c1cncc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838305 720703700 /nfs/dbraw/zinc/70/37/00/720703700.db2.gz HYQIMXMTFIDXSM-HSZRJFAPSA-N 1 0 437.632 4.363 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164838212 720705799 /nfs/dbraw/zinc/70/57/99/720705799.db2.gz HPMYAJNBTWRMGL-DEOSSOPVSA-N 1 0 444.579 4.316 20 0 IIADRO COc1ccccc1-c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836911 720715019 /nfs/dbraw/zinc/71/50/19/720715019.db2.gz BUPRFOAGPFGUJV-JOCHJYFZSA-N 1 0 444.579 4.412 20 0 IIADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837975 720739076 /nfs/dbraw/zinc/73/90/76/720739076.db2.gz PKJOHSIHAOPPRM-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745163 720834231 /nfs/dbraw/zinc/83/42/31/720834231.db2.gz MCBAUFLBCJSLRR-NNMXDRDESA-N 1 0 436.991 4.168 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740484 720839799 /nfs/dbraw/zinc/83/97/99/720839799.db2.gz BZAHCCCHMNEJRG-RCCFBDPRSA-N 1 0 443.020 4.229 20 0 IIADRO Cc1csc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164752251 720869685 /nfs/dbraw/zinc/86/96/85/720869685.db2.gz MJMYNKVBQVDSHG-OFVILXPXSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754863 720873231 /nfs/dbraw/zinc/87/32/31/720873231.db2.gz UFEJELRHYQBNIL-OZXSUGGESA-N 1 0 435.616 4.059 20 0 IIADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755788 720874240 /nfs/dbraw/zinc/87/42/40/720874240.db2.gz YXJOMTMRKHSAMX-XUZZJYLKSA-N 1 0 426.992 4.194 20 0 IIADRO c1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164752935 720878121 /nfs/dbraw/zinc/87/81/21/720878121.db2.gz NNAIDNHPDQCQSL-XNMGPUDCSA-N 1 0 428.580 4.385 20 0 IIADRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1Cl ZINC001164758454 720885747 /nfs/dbraw/zinc/88/57/47/720885747.db2.gz YEMPDQPOPOXERE-ZJSXRUAMSA-N 1 0 426.992 4.194 20 0 IIADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757908 720888895 /nfs/dbraw/zinc/88/88/95/720888895.db2.gz WJRVPGHMFQTGDQ-OEMFJLHTSA-N 1 0 444.982 4.349 20 0 IIADRO CCSc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164746539 720931149 /nfs/dbraw/zinc/93/11/49/720931149.db2.gz BLHKVOLJPHPBBN-WIOPSUGQSA-N 1 0 438.641 4.344 20 0 IIADRO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753746 720934542 /nfs/dbraw/zinc/93/45/42/720934542.db2.gz SLYYTYWSFIQRGP-OZXSUGGESA-N 1 0 435.616 4.059 20 0 IIADRO c1sc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164866057 721066181 /nfs/dbraw/zinc/06/61/81/721066181.db2.gz CEROQXOHUVYVKC-LEWJYISDSA-N 1 0 443.576 4.233 20 0 IIADRO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@@H]5C4)c23)cc1 ZINC001164767292 721113468 /nfs/dbraw/zinc/11/34/68/721113468.db2.gz MINJFTBTJONJJG-LEWJYISDSA-N 1 0 444.608 4.359 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768134 721113876 /nfs/dbraw/zinc/11/38/76/721113876.db2.gz NJLUAEQGXWOLKD-MSOLQXFVSA-N 1 0 431.918 4.125 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878950 721159017 /nfs/dbraw/zinc/15/90/17/721159017.db2.gz RAGJHKMQJVXUGX-XZOQPEGZSA-N 1 0 432.593 4.249 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878947 721159660 /nfs/dbraw/zinc/15/96/60/721159660.db2.gz RAGJHKMQJVXUGX-PKTZIBPZSA-N 1 0 432.593 4.249 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872173 721167507 /nfs/dbraw/zinc/16/75/07/721167507.db2.gz GRWOIPVGPGEUBH-RTWAWAEBSA-N 1 0 449.986 4.289 20 0 IIADRO Clc1ccc2ccc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880448 721180921 /nfs/dbraw/zinc/18/09/21/721180921.db2.gz WRWJLQXFKQCNCA-ROUUACIJSA-N 1 0 429.351 4.416 20 0 IIADRO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164872206 721239962 /nfs/dbraw/zinc/23/99/62/721239962.db2.gz LFSLJCKFGVDJCF-HXUWFJFHSA-N 1 0 443.595 4.344 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164769038 721276873 /nfs/dbraw/zinc/27/68/73/721276873.db2.gz NJASUAUICARDJP-OFVILXPXSA-N 1 0 446.599 4.326 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164876913 721329475 /nfs/dbraw/zinc/32/94/75/721329475.db2.gz SHDRTBWTEBEAMM-NRFANRHFSA-N 1 0 439.629 4.218 20 0 IIADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887107 721401127 /nfs/dbraw/zinc/40/11/27/721401127.db2.gz LAGJXSQMOVMZRD-WZONZLPQSA-N 1 0 449.426 4.307 20 0 IIADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889979 721410083 /nfs/dbraw/zinc/41/00/83/721410083.db2.gz RXPMQVFQAIMMHD-WIOPSUGQSA-N 1 0 441.019 4.167 20 0 IIADRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ncccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164784491 721445637 /nfs/dbraw/zinc/44/56/37/721445637.db2.gz QGSPQOKJJBDMPE-XUZZJYLKSA-N 1 0 442.629 4.035 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164787641 721447484 /nfs/dbraw/zinc/44/74/84/721447484.db2.gz OXTDITHVXQSLIC-LJQANCHMSA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164783943 721464822 /nfs/dbraw/zinc/46/48/22/721464822.db2.gz GLHRLBJZHPLAHC-SFHVURJKSA-N 1 0 442.431 4.431 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164790985 721492141 /nfs/dbraw/zinc/49/21/41/721492141.db2.gz ABDZXZYRRKJXAK-UHFFFAOYSA-N 1 0 429.568 4.332 20 0 IIADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795476 721497887 /nfs/dbraw/zinc/49/78/87/721497887.db2.gz IKLSXYQSZXXWNM-UHFFFAOYSA-N 1 0 430.552 4.297 20 0 IIADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795091 721498810 /nfs/dbraw/zinc/49/88/10/721498810.db2.gz CVUIHKOYJXOVBN-ONEGZZNKSA-N 1 0 445.567 4.025 20 0 IIADRO CC1CCN(C(=O)c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2)CC1 ZINC001164795993 721500406 /nfs/dbraw/zinc/50/04/06/721500406.db2.gz ORRMBFGNULYMAW-UHFFFAOYSA-N 1 0 447.627 4.230 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164900804 721518512 /nfs/dbraw/zinc/51/85/12/721518512.db2.gz UXVMQEMOBGIORU-AEFFLSMTSA-N 1 0 448.876 4.309 20 0 IIADRO COc1cccc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794548 721525989 /nfs/dbraw/zinc/52/59/89/721525989.db2.gz FSNQFHHNQRSFHK-VAXXYWNWSA-N 1 0 438.959 4.160 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@@H+]3C2)c1 ZINC001164904635 721553289 /nfs/dbraw/zinc/55/32/89/721553289.db2.gz DZOTXWXLIGDYRS-FPOVZHCZSA-N 1 0 441.510 4.173 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164905414 721559506 /nfs/dbraw/zinc/55/95/06/721559506.db2.gz HGNBWSVISNLSGL-IEBWSBKVSA-N 1 0 442.897 4.417 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@@H+]3C2)c1 ZINC001164905930 721562432 /nfs/dbraw/zinc/56/24/32/721562432.db2.gz IDEYYXPXYFEJDC-HKUYNNGSSA-N 1 0 447.539 4.234 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@@H+]3C2)c1 ZINC001164909185 721567180 /nfs/dbraw/zinc/56/71/80/721567180.db2.gz SPRNLYPONPKNLL-HKUYNNGSSA-N 1 0 437.893 4.336 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@H]12 ZINC001164802636 721590782 /nfs/dbraw/zinc/59/07/82/721590782.db2.gz HKZUCHLLXXFUET-GWJPWWOOSA-N 1 0 444.913 4.430 20 0 IIADRO CSc1nc2c(c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907498 721701276 /nfs/dbraw/zinc/70/12/76/721701276.db2.gz UUIQBSDSMJJKGG-QFIPXVFZSA-N 1 0 445.583 4.210 20 0 IIADRO FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904309 721711916 /nfs/dbraw/zinc/71/19/16/721711916.db2.gz BNVCZSMFDKESRV-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905570 721712493 /nfs/dbraw/zinc/71/24/93/721712493.db2.gz HPOAQSSOMIJTOS-OAQYLSRUSA-N 1 0 427.524 4.338 20 0 IIADRO FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906485 721713026 /nfs/dbraw/zinc/71/30/26/721713026.db2.gz MITZLUVUYSHISK-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906918 721723660 /nfs/dbraw/zinc/72/36/60/721723660.db2.gz PAFJXMOEXXKVGX-JOCHJYFZSA-N 1 0 441.551 4.313 20 0 IIADRO Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911750 721730567 /nfs/dbraw/zinc/73/05/67/721730567.db2.gz KEIATCQLIUKMGQ-HSZRJFAPSA-N 1 0 439.485 4.415 20 0 IIADRO COc1cc(C)c2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164912697 721739563 /nfs/dbraw/zinc/73/95/63/721739563.db2.gz PMPRQZZITYCKJX-QHCPKHFHSA-N 1 0 439.510 4.080 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]21 ZINC001165024514 721801505 /nfs/dbraw/zinc/80/15/05/721801505.db2.gz LNRVCJQFWFHLTR-CWRNSKLLSA-N 1 0 442.341 4.460 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@H]21 ZINC001165025068 721804074 /nfs/dbraw/zinc/80/40/74/721804074.db2.gz NKOMJZOERHCSIL-WRWLIDTKSA-N 1 0 430.021 4.051 20 0 IIADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029670 721813160 /nfs/dbraw/zinc/81/31/60/721813160.db2.gz ZYMXWXBMMREZMD-XWFZLUIHSA-N 1 0 437.975 4.424 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165022664 721815073 /nfs/dbraw/zinc/81/50/73/721815073.db2.gz GLGAIHHDWIPAQI-UAGQMJEPSA-N 1 0 428.993 4.180 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@@H]21 ZINC001165024699 721822513 /nfs/dbraw/zinc/82/25/13/721822513.db2.gz KYVFEIOILWDAGD-JCGIZDLHSA-N 1 0 443.382 4.464 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]21 ZINC001165025736 721824645 /nfs/dbraw/zinc/82/46/45/721824645.db2.gz NOTOHVMHVDJTJJ-MOXGXCLJSA-N 1 0 447.961 4.296 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3c(Cl)ccnc3cn2)CC1 ZINC001165022628 721841991 /nfs/dbraw/zinc/84/19/91/721841991.db2.gz QRLNUJGOWGTSFB-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO CCOC(=O)c1nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ccc1Cl ZINC001165021252 721843083 /nfs/dbraw/zinc/84/30/83/721843083.db2.gz JMCYJXFWCAGEQA-UHFFFAOYSA-N 1 0 447.963 4.030 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3sc4c(c32)CCC4)CC1 ZINC001165023131 721843416 /nfs/dbraw/zinc/84/34/16/721843416.db2.gz XPPBULGBFJGTSO-UHFFFAOYSA-N 1 0 438.597 4.298 20 0 IIADRO COc1ccc(-c2cc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)ncn2)cc1 ZINC001165022599 721843864 /nfs/dbraw/zinc/84/38/64/721843864.db2.gz QAROBUWGESTACD-UHFFFAOYSA-N 1 0 448.567 4.270 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939344 721922865 /nfs/dbraw/zinc/92/28/65/721922865.db2.gz JITMTESRMWZUKR-UHFFFAOYSA-N 1 0 444.579 4.235 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CSC5)CC3)C2)cc1 ZINC001164939908 721924508 /nfs/dbraw/zinc/92/45/08/721924508.db2.gz PKUFOBGCFUQRFC-UHFFFAOYSA-N 1 0 431.005 4.057 20 0 IIADRO CCOc1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164938932 721927089 /nfs/dbraw/zinc/92/70/89/721927089.db2.gz CFQMULPLLVYRCI-UHFFFAOYSA-N 1 0 432.568 4.208 20 0 IIADRO c1ccc(OCC[NH+]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)cc1 ZINC001165045456 721958316 /nfs/dbraw/zinc/95/83/16/721958316.db2.gz UPUSWFAWNJGWKM-UHFFFAOYSA-N 1 0 445.563 4.385 20 0 IIADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165050449 721973824 /nfs/dbraw/zinc/97/38/24/721973824.db2.gz YBGKPYOCDNHYAR-GOSISDBHSA-N 1 0 432.609 4.202 20 0 IIADRO Clc1cccc(-c2cccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)n1 ZINC001164963259 722056424 /nfs/dbraw/zinc/05/64/24/722056424.db2.gz KDPHETWKOVIPJV-UHFFFAOYSA-N 1 0 449.986 4.311 20 0 IIADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccsc2)n1 ZINC001164963373 722060825 /nfs/dbraw/zinc/06/08/25/722060825.db2.gz XQAPHOGTMKBKBF-UHFFFAOYSA-N 1 0 435.597 4.028 20 0 IIADRO c1ccc(Oc2ccc(-c3ccc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)nn3)cc2)cc1 ZINC001164968170 722076965 /nfs/dbraw/zinc/07/69/65/722076965.db2.gz UROXFOMMUDVVGA-PSWAGMNNSA-N 1 0 428.536 4.235 20 0 IIADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983486 722102246 /nfs/dbraw/zinc/10/22/46/722102246.db2.gz QLYDYBQAFCQJEH-MAUKXSAKSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982141 722102893 /nfs/dbraw/zinc/10/28/93/722102893.db2.gz MZAZAWIMCPJARV-QAPCUYQASA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971904 722114418 /nfs/dbraw/zinc/11/44/18/722114418.db2.gz DEMCDGIIXQGJGJ-QFBILLFUSA-N 1 0 444.366 4.059 20 0 IIADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973065 722116910 /nfs/dbraw/zinc/11/69/10/722116910.db2.gz GGVKOOJKJDEAIW-WZONZLPQSA-N 1 0 438.959 4.019 20 0 IIADRO Cc1cccc(Sc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981790 722135132 /nfs/dbraw/zinc/13/51/32/722135132.db2.gz QLODRBAFNFMXIS-GMAHTHKFSA-N 1 0 447.608 4.059 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976091 722144694 /nfs/dbraw/zinc/14/46/94/722144694.db2.gz HAXNIRSPULDYLY-YADHBBJMSA-N 1 0 449.986 4.228 20 0 IIADRO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982597 722146466 /nfs/dbraw/zinc/14/64/66/722146466.db2.gz RRJCHVONZCLQQR-ZCYQVOJMSA-N 1 0 446.620 4.496 20 0 IIADRO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972753 722157087 /nfs/dbraw/zinc/15/70/87/722157087.db2.gz JKQATRCQNKMTEL-VQIMIIECSA-N 1 0 444.366 4.059 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974684 722158842 /nfs/dbraw/zinc/15/88/42/722158842.db2.gz OWUMDDJHXCVMKJ-JPYJTQIMSA-N 1 0 438.959 4.019 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994815 722208580 /nfs/dbraw/zinc/20/85/80/722208580.db2.gz IJQXMEAKJZLBOU-AREMUKBSSA-N 1 0 446.526 4.299 20 0 IIADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccccc3)cc(Cl)n1)CCC2 ZINC001165002306 722253225 /nfs/dbraw/zinc/25/32/25/722253225.db2.gz NKIGPYONVRUUPC-UHFFFAOYSA-N 1 0 425.964 4.087 20 0 IIADRO CCOc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)cc(Br)c1OC(F)F ZINC000479452644 1126094669 /nfs/dbraw/zinc/09/46/69/1126094669.db2.gz LVKKWMAGYWRBNL-OAHLLOKOSA-N 1 0 430.289 4.142 20 0 IIADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000800238816 1126110640 /nfs/dbraw/zinc/11/06/40/1126110640.db2.gz JQNDKWYKCHQHSD-GJZGRUSLSA-N 1 0 431.480 4.114 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001176587222 1126149655 /nfs/dbraw/zinc/14/96/55/1126149655.db2.gz HQBAGXBPOWFUPL-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822930 1126150558 /nfs/dbraw/zinc/15/05/58/1126150558.db2.gz PPXOXEGSUSNUBX-NVXWUHKLSA-N 1 0 436.243 4.221 20 0 IIADRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284683 1126153796 /nfs/dbraw/zinc/15/37/96/1126153796.db2.gz KMZVWQSTSIXSST-KSSFIOAISA-N 1 0 448.279 4.090 20 0 IIADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001198231265 1126156152 /nfs/dbraw/zinc/15/61/52/1126156152.db2.gz UXGYXZFZHKMMLE-HSZRJFAPSA-N 1 0 444.000 4.369 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3ccccc3Br)nc2C)cc1 ZINC001203581176 1126158830 /nfs/dbraw/zinc/15/88/30/1126158830.db2.gz JMHRZFFNUBTIRE-QFIPXVFZSA-N 1 0 444.373 4.035 20 0 IIADRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)o2)CC1 ZINC001308886804 1126168659 /nfs/dbraw/zinc/16/86/59/1126168659.db2.gz RKVLOQDGHDWVPT-RUZDIDTESA-N 1 0 446.563 4.060 20 0 IIADRO OC[C@]1([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCN(Cc2ccccc2)C1 ZINC001461204525 1126193977 /nfs/dbraw/zinc/19/39/77/1126193977.db2.gz PUIWIKWJUCWPHU-QHCPKHFHSA-N 1 0 429.536 4.205 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC001473839015 1126199695 /nfs/dbraw/zinc/19/96/95/1126199695.db2.gz PZLLJNYTVBYBRP-XMMPIXPASA-N 1 0 435.549 4.156 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(F)c1Br ZINC001461669918 1126195834 /nfs/dbraw/zinc/19/58/34/1126195834.db2.gz HWNNJTIOFDGHGY-KRWDZBQOSA-N 1 0 431.143 4.434 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001461698086 1126196393 /nfs/dbraw/zinc/19/63/93/1126196393.db2.gz TWTHCYFLOXCEKA-QFIPXVFZSA-N 1 0 434.367 4.352 20 0 IIADRO Cc1nc(N2CCCCC2)sc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001474226527 1126203040 /nfs/dbraw/zinc/20/30/40/1126203040.db2.gz FWLRTCKVAWHGIM-HXUWFJFHSA-N 1 0 438.435 4.288 20 0 IIADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cc2C1 ZINC001474227333 1126203673 /nfs/dbraw/zinc/20/36/73/1126203673.db2.gz UPMVIGVUBZJBGB-RUZDIDTESA-N 1 0 428.548 4.202 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001560548389 1126212365 /nfs/dbraw/zinc/21/23/65/1126212365.db2.gz MNTGRMBYMKSHGM-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)sc2Br)cc1 ZINC001560580347 1126213397 /nfs/dbraw/zinc/21/33/97/1126213397.db2.gz RTKZREDAJZIGGE-INIZCTEOSA-N 1 0 449.208 4.365 20 0 IIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001620419359 1126240282 /nfs/dbraw/zinc/24/02/82/1126240282.db2.gz VZEXFQMDZPBIRZ-QHCPKHFHSA-N 1 0 446.385 4.414 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164618185 719006902 /nfs/dbraw/zinc/00/69/02/719006902.db2.gz QQUUYXLZJVGREF-DNVCBOLYSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164619649 719007438 /nfs/dbraw/zinc/00/74/38/719007438.db2.gz WNHWOXYWJKZUIA-IFXJQAMLSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4c(OC)cccc34)CC2)CC1 ZINC001164614225 719020727 /nfs/dbraw/zinc/02/07/27/719020727.db2.gz DNGMGPPFGWFSOT-UHFFFAOYSA-N 1 0 431.964 4.141 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cccc(-c4cccc(Cl)n4)n3)CC2)CC1 ZINC001164617510 719026680 /nfs/dbraw/zinc/02/66/80/719026680.db2.gz MZTLHTDIYNRAMM-UHFFFAOYSA-N 1 0 428.964 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4sc5c(c43)CCCC5)CC2)CC1 ZINC001164617471 719031309 /nfs/dbraw/zinc/03/13/09/719031309.db2.gz KSZORYICHMNZBR-UHFFFAOYSA-N 1 0 442.629 4.122 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(SCc4ccccc4)ncn3)CC2)CC1 ZINC001164616465 719033284 /nfs/dbraw/zinc/03/32/84/719033284.db2.gz CSQNXPFSDFHGTO-UHFFFAOYSA-N 1 0 440.613 4.013 20 0 IIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@H]3C2)cc1 ZINC001164624230 719098788 /nfs/dbraw/zinc/09/87/88/719098788.db2.gz DQYNZZTVCNHYDB-GGAORHGYSA-N 1 0 428.536 4.016 20 0 IIADRO COC(=O)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccc2c1OC ZINC001164628792 719105307 /nfs/dbraw/zinc/10/53/07/719105307.db2.gz OGCQOBRHTYKCPP-UGKGYDQZSA-N 1 0 431.536 4.131 20 0 IIADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624944 719107261 /nfs/dbraw/zinc/10/72/61/719107261.db2.gz FPXQGWUYEVLRJD-QZTJIDSGSA-N 1 0 445.901 4.431 20 0 IIADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)c23)cc1 ZINC001164666905 719444672 /nfs/dbraw/zinc/44/46/72/719444672.db2.gz DSSXQMQNQNZCME-SFTDATJTSA-N 1 0 443.576 4.248 20 0 IIADRO Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1-c1ccccc1 ZINC001164670305 719444729 /nfs/dbraw/zinc/44/47/29/719444729.db2.gz NTWQOVBCFHOTGZ-WOJBJXKFSA-N 1 0 443.576 4.248 20 0 IIADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)c23)cc1 ZINC001164666901 719445413 /nfs/dbraw/zinc/44/54/13/719445413.db2.gz DSSXQMQNQNZCME-RTWAWAEBSA-N 1 0 443.576 4.248 20 0 IIADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)c23)cc1 ZINC001164666897 719445655 /nfs/dbraw/zinc/44/56/55/719445655.db2.gz DSSXQMQNQNZCME-NHCUHLMSSA-N 1 0 443.576 4.248 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684188 719615290 /nfs/dbraw/zinc/61/52/90/719615290.db2.gz MYSDTRPNSPGVTQ-UHFFFAOYSA-N 1 0 438.579 4.482 20 0 IIADRO Cc1sc2nc(-c3cccnc3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680183 719638046 /nfs/dbraw/zinc/63/80/46/719638046.db2.gz RSUBMAOTEOMENV-UHFFFAOYSA-N 1 0 447.612 4.042 20 0 IIADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccc(Cl)s3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164679797 719645705 /nfs/dbraw/zinc/64/57/05/719645705.db2.gz NGWHJKKHDWBQJA-UHFFFAOYSA-N 1 0 443.020 4.019 20 0 IIADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2Cl)c2c1CC[NH2+]C2 ZINC001164681881 719650325 /nfs/dbraw/zinc/65/03/25/719650325.db2.gz RWIQLIGPGTVIOY-UHFFFAOYSA-N 1 0 447.370 4.247 20 0 IIADRO Cc1cc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685247 719657568 /nfs/dbraw/zinc/65/75/68/719657568.db2.gz YPWLAAITYWXXSX-IBGZPJMESA-N 1 0 441.019 4.137 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)N(C)C(C)C)c3C2)nc1 ZINC001164695591 719787734 /nfs/dbraw/zinc/78/77/34/719787734.db2.gz NAWGNKVIFZXRSA-HXUWFJFHSA-N 1 0 425.577 4.050 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164705821 719836847 /nfs/dbraw/zinc/83/68/47/719836847.db2.gz VVVLDPAVJUDKJH-HSZRJFAPSA-N 1 0 434.584 4.031 20 0 IIADRO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164695698 719892073 /nfs/dbraw/zinc/89/20/73/719892073.db2.gz ROCUKJFICITYOA-UHFFFAOYSA-N 1 0 443.947 4.221 20 0 IIADRO Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694732 719892375 /nfs/dbraw/zinc/89/23/75/719892375.db2.gz DMWMFBOIQXUNMC-UHFFFAOYSA-N 1 0 431.911 4.352 20 0 IIADRO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699104 719892927 /nfs/dbraw/zinc/89/29/27/719892927.db2.gz XESYBIZSICVHOM-UHFFFAOYSA-N 1 0 448.592 4.267 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815797 720077121 /nfs/dbraw/zinc/07/71/21/720077121.db2.gz ZRDXBNPJBUBBCN-HRAATJIYSA-N 1 0 436.934 4.013 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164709958 720102807 /nfs/dbraw/zinc/10/28/07/720102807.db2.gz DIJHPSXYDDKIRS-JOCHJYFZSA-N 1 0 445.567 4.171 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164717497 720105980 /nfs/dbraw/zinc/10/59/80/720105980.db2.gz POOCPHBNWGGPBX-QFIPXVFZSA-N 1 0 445.567 4.171 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164718067 720110439 /nfs/dbraw/zinc/11/04/39/720110439.db2.gz RJRAJZCSKBDCOF-QFIPXVFZSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164714926 720121308 /nfs/dbraw/zinc/12/13/08/720121308.db2.gz FMRQZYRBBWMZMO-OAQYLSRUSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164716923 720123052 /nfs/dbraw/zinc/12/30/52/720123052.db2.gz LMAGBSYWFKBBDT-HXUWFJFHSA-N 1 0 442.567 4.014 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164719454 720126486 /nfs/dbraw/zinc/12/64/86/720126486.db2.gz XANSYJATHLPYGV-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164714376 720145043 /nfs/dbraw/zinc/14/50/43/720145043.db2.gz WQIVYVJPLADKQN-HXUWFJFHSA-N 1 0 442.007 4.218 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164712493 720155343 /nfs/dbraw/zinc/15/53/43/720155343.db2.gz MUOZJICAPBFPHJ-HXUWFJFHSA-N 1 0 449.624 4.254 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816680 720181846 /nfs/dbraw/zinc/18/18/46/720181846.db2.gz MEEMXTLBMGDLKX-AMGIVPHBSA-N 1 0 428.580 4.482 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813394 720197593 /nfs/dbraw/zinc/19/75/93/720197593.db2.gz PDIFETDXSTXNET-YADARESESA-N 1 0 442.991 4.415 20 0 IIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730909 720434123 /nfs/dbraw/zinc/43/41/23/720434123.db2.gz JPGBEAHJFGRIRD-VQTJNVASSA-N 1 0 436.943 4.313 20 0 IIADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732522 720436379 /nfs/dbraw/zinc/43/63/79/720436379.db2.gz NYWCRVKFRGHINX-VEXUSMLFSA-N 1 0 428.584 4.257 20 0 IIADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728522 720441249 /nfs/dbraw/zinc/44/12/49/720441249.db2.gz FOCUXYODZFIUSB-VXKWHMMOSA-N 1 0 433.943 4.236 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc3ccc(Cl)cc32)C1 ZINC001164728164 720518069 /nfs/dbraw/zinc/51/80/69/720518069.db2.gz JNDXCZJVVNDGSO-KRWDZBQOSA-N 1 0 432.959 4.345 20 0 IIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C1 ZINC001164733580 720523113 /nfs/dbraw/zinc/52/31/13/720523113.db2.gz KYXLCBMGPOYXSF-KRWDZBQOSA-N 1 0 432.959 4.345 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835002 720538714 /nfs/dbraw/zinc/53/87/14/720538714.db2.gz GOJVQSOZTKDMAB-ZYLNGJIFSA-N 1 0 441.583 4.199 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838482 720545000 /nfs/dbraw/zinc/54/50/00/720545000.db2.gz OAQZBJUYPKVHFG-TXPKVOOTSA-N 1 0 448.949 4.336 20 0 IIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833711 720570532 /nfs/dbraw/zinc/57/05/32/720570532.db2.gz BERXCBYORHOMEK-XQBPLPMBSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842202 720590373 /nfs/dbraw/zinc/59/03/73/720590373.db2.gz ULBZRDNBEJGNKJ-DJPFJPOOSA-N 1 0 449.990 4.339 20 0 IIADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164740338 720594536 /nfs/dbraw/zinc/59/45/36/720594536.db2.gz IOMZEUBCLHALSJ-UHFFFAOYSA-N 1 0 438.963 4.086 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]21 ZINC001164839512 720620543 /nfs/dbraw/zinc/62/05/43/720620543.db2.gz NVYFTKPSTKUMRV-XWGVYQGASA-N 1 0 449.574 4.374 20 0 IIADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164837274 720628024 /nfs/dbraw/zinc/62/80/24/720628024.db2.gz HVZGODCPRSFEIK-YFNKSVMNSA-N 1 0 445.615 4.209 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC[C@@H]21 ZINC001164841778 720647495 /nfs/dbraw/zinc/64/74/95/720647495.db2.gz QAJDZAQNMFTDKY-HOJAQTOUSA-N 1 0 449.977 4.429 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC[C@@H]21 ZINC001164841076 720648029 /nfs/dbraw/zinc/64/80/29/720648029.db2.gz PDJCALFVBGSOHN-IHPCNDPISA-N 1 0 449.977 4.429 20 0 IIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842451 720661634 /nfs/dbraw/zinc/66/16/34/720661634.db2.gz RQLJUPNBTBBAJI-GOSISDBHSA-N 1 0 436.934 4.243 20 0 IIADRO CCOc1ccc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844950 720694197 /nfs/dbraw/zinc/69/41/97/720694197.db2.gz WXJWCSNLQRFGPS-NRFANRHFSA-N 1 0 432.568 4.288 20 0 IIADRO COc1ccccc1-c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164836432 720713389 /nfs/dbraw/zinc/71/33/89/720713389.db2.gz AIGMTEVBBOQMCJ-QFIPXVFZSA-N 1 0 444.579 4.412 20 0 IIADRO Cc1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)nn1 ZINC001164837579 720713911 /nfs/dbraw/zinc/71/39/11/720713911.db2.gz DWLJSANQNNGWLU-GOSISDBHSA-N 1 0 436.934 4.243 20 0 IIADRO COc1ccc(-c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncn2)cc1 ZINC001164838371 720715387 /nfs/dbraw/zinc/71/53/87/720715387.db2.gz IHROSEVKOBSUOL-QHCPKHFHSA-N 1 0 444.579 4.412 20 0 IIADRO CSc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840880 720727271 /nfs/dbraw/zinc/72/72/71/720727271.db2.gz RGSJOARPKQYEDY-GOSISDBHSA-N 1 0 430.643 4.180 20 0 IIADRO COc1cc(C)c2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838077 720729655 /nfs/dbraw/zinc/72/96/55/720729655.db2.gz QWLQZDLWJVKYRF-NRFANRHFSA-N 1 0 432.568 4.207 20 0 IIADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843484 720739748 /nfs/dbraw/zinc/73/97/48/720739748.db2.gz LBISKJRIJSDNIC-UHFFFAOYSA-N 1 0 448.905 4.184 20 0 IIADRO Fc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750760 720879549 /nfs/dbraw/zinc/87/95/49/720879549.db2.gz JRSMLOHDQPCTQP-AUSIDOKSSA-N 1 0 430.955 4.024 20 0 IIADRO c1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164751738 720881950 /nfs/dbraw/zinc/88/19/50/720881950.db2.gz DDXGVQRQKSVTFP-RCZVLFRGSA-N 1 0 434.609 4.446 20 0 IIADRO Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164750022 720882320 /nfs/dbraw/zinc/88/23/20/720882320.db2.gz IHNNPCXLFADIMS-NVQXNPDNSA-N 1 0 431.584 4.021 20 0 IIADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757910 720889278 /nfs/dbraw/zinc/88/92/78/720889278.db2.gz WJRVPGHMFQTGDQ-YFNKSVMNSA-N 1 0 444.982 4.349 20 0 IIADRO Cc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755986 720892379 /nfs/dbraw/zinc/89/23/79/720892379.db2.gz NXQKZYPXEMXCSW-SHQCIBLASA-N 1 0 443.595 4.088 20 0 IIADRO CC(C)Oc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758169 720894671 /nfs/dbraw/zinc/89/46/71/720894671.db2.gz XIXDLPKQRPNPPD-OZXSUGGESA-N 1 0 436.600 4.019 20 0 IIADRO CSc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164747190 720906191 /nfs/dbraw/zinc/90/61/91/720906191.db2.gz BZALKGXSNDVNCY-WIOPSUGQSA-N 1 0 438.641 4.262 20 0 IIADRO Cc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164746530 720919391 /nfs/dbraw/zinc/91/93/91/720919391.db2.gz BKGCAIGYRZFQHI-NVQXNPDNSA-N 1 0 432.568 4.286 20 0 IIADRO CCSc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164746537 720931693 /nfs/dbraw/zinc/93/16/93/720931693.db2.gz BLHKVOLJPHPBBN-RCZVLFRGSA-N 1 0 438.641 4.344 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@@H]2C ZINC001164859929 720939264 /nfs/dbraw/zinc/93/92/64/720939264.db2.gz OOCWUUUPNIMZME-CQSZACIVSA-N 1 0 434.922 4.446 20 0 IIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864897 721016163 /nfs/dbraw/zinc/01/61/63/721016163.db2.gz ZZOJPBNDABKSRC-MRXNPFEDSA-N 1 0 425.968 4.118 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771008 721101011 /nfs/dbraw/zinc/10/10/11/721101011.db2.gz QVPINARJVROTDN-VXGBXAGGSA-N 1 0 435.186 4.387 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768135 721112893 /nfs/dbraw/zinc/11/28/93/721112893.db2.gz NJLUAEQGXWOLKD-QZTJIDSGSA-N 1 0 431.918 4.125 20 0 IIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866705 721119453 /nfs/dbraw/zinc/11/94/53/721119453.db2.gz USRJRDLEHSLTKY-QZTJIDSGSA-N 1 0 444.913 4.308 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766663 721166665 /nfs/dbraw/zinc/16/66/65/721166665.db2.gz IZUODXFCWLNUNF-MSOLQXFVSA-N 1 0 431.918 4.125 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766669 721166742 /nfs/dbraw/zinc/16/67/42/721166742.db2.gz IZUODXFCWLNUNF-QZTJIDSGSA-N 1 0 431.918 4.125 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874436 721183038 /nfs/dbraw/zinc/18/30/38/721183038.db2.gz JXPKAJJHZPTUFA-WOJBJXKFSA-N 1 0 427.980 4.052 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767623 721183677 /nfs/dbraw/zinc/18/36/77/721183677.db2.gz KFYMIQPOUHCFSN-LEWJYISDSA-N 1 0 437.975 4.006 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772414 721200272 /nfs/dbraw/zinc/20/02/72/721200272.db2.gz UOBRYPWVTCPSLL-RTWAWAEBSA-N 1 0 442.542 4.128 20 0 IIADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772322 721224046 /nfs/dbraw/zinc/22/40/46/721224046.db2.gz SCQXCLKUHARBPN-MSOLQXFVSA-N 1 0 431.918 4.125 20 0 IIADRO COc1ccccc1-c1cc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)nn1 ZINC001164775097 721303266 /nfs/dbraw/zinc/30/32/66/721303266.db2.gz PFYODIBQDUPHLU-UHFFFAOYSA-N 1 0 434.918 4.273 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164787743 721449453 /nfs/dbraw/zinc/44/94/53/721449453.db2.gz QBKNUJJCQYYLLB-IBGZPJMESA-N 1 0 443.966 4.014 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164786898 721457929 /nfs/dbraw/zinc/45/79/29/721457929.db2.gz QKAJWKCXZDIFPN-JOCHJYFZSA-N 1 0 427.564 4.108 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898664 721502297 /nfs/dbraw/zinc/50/22/97/721502297.db2.gz SZQSQNLECKKCTH-PKTZIBPZSA-N 1 0 442.648 4.166 20 0 IIADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@@H+]3C2)c1 ZINC001164899753 721514364 /nfs/dbraw/zinc/51/43/64/721514364.db2.gz MIGLCSNNVRISQJ-RDJZCZTQSA-N 1 0 448.876 4.309 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164808944 721540320 /nfs/dbraw/zinc/54/03/20/721540320.db2.gz SNJNKXIAODVESJ-YZUZCNPQSA-N 1 0 435.959 4.060 20 0 IIADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903380 721549999 /nfs/dbraw/zinc/54/99/99/721549999.db2.gz CGPPRJIJNXLSOF-SJLPKXTDSA-N 1 0 429.927 4.147 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164908665 721565583 /nfs/dbraw/zinc/56/55/83/721565583.db2.gz RLKUTPIEGXJJLY-TZIWHRDSSA-N 1 0 436.556 4.250 20 0 IIADRO CCCCOc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806799 721572057 /nfs/dbraw/zinc/57/20/57/721572057.db2.gz RTPJFMFGJGERQI-FKBYEOEOSA-N 1 0 430.980 4.177 20 0 IIADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164800190 721581454 /nfs/dbraw/zinc/58/14/54/721581454.db2.gz CKSSDZCCHJXQCV-FUDKSRODSA-N 1 0 449.986 4.369 20 0 IIADRO Cc1sc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908339 721587194 /nfs/dbraw/zinc/58/71/94/721587194.db2.gz YKGGAAITKFXFAX-NRFANRHFSA-N 1 0 429.540 4.441 20 0 IIADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164811300 721587629 /nfs/dbraw/zinc/58/76/29/721587629.db2.gz XFPJRMQJIABWEB-BDTNDASRSA-N 1 0 426.923 4.291 20 0 IIADRO Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907858 721697954 /nfs/dbraw/zinc/69/79/54/721697954.db2.gz VFQANNBRMCEYKC-SFHVURJKSA-N 1 0 443.876 4.116 20 0 IIADRO FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906078 721719861 /nfs/dbraw/zinc/71/98/61/721719861.db2.gz JQWLFTQLNFYYPI-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCc1nc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912131 721728190 /nfs/dbraw/zinc/72/81/90/721728190.db2.gz MBJXGJBNWWRDOM-LJQANCHMSA-N 1 0 442.341 4.479 20 0 IIADRO FC(F)(COc1cncc(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015336 721768380 /nfs/dbraw/zinc/76/83/80/721768380.db2.gz OMYIEZLXIRRLDE-UHFFFAOYSA-N 1 0 431.830 4.109 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@@H]21 ZINC001165026888 721807326 /nfs/dbraw/zinc/80/73/26/721807326.db2.gz SAQGFJHKBYTNKY-HHXXYDBFSA-N 1 0 427.980 4.027 20 0 IIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027571 721807581 /nfs/dbraw/zinc/80/75/81/721807581.db2.gz WJQSMCRWWSTZIE-SXLOBPIMSA-N 1 0 442.991 4.352 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164917077 721811394 /nfs/dbraw/zinc/81/13/94/721811394.db2.gz KDUVVLHLUVVQRY-SEDAZVQISA-N 1 0 442.629 4.286 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]21 ZINC001165027781 721815490 /nfs/dbraw/zinc/81/54/90/721815490.db2.gz VXTUILDEQGNKGD-UEVCKROQSA-N 1 0 440.035 4.463 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001165025740 721824806 /nfs/dbraw/zinc/82/48/06/721824806.db2.gz NOTOHVMHVDJTJJ-XFQXTVEOSA-N 1 0 447.961 4.296 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]21 ZINC001165024011 721828947 /nfs/dbraw/zinc/82/89/47/721828947.db2.gz JHICGENIYLMUQL-BAGYTPMASA-N 1 0 430.556 4.141 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@H]21 ZINC001165024026 721831968 /nfs/dbraw/zinc/83/19/68/721831968.db2.gz JIQALNLZMBOLGU-BSLALVQMSA-N 1 0 430.531 4.382 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3sc(C)c(C)c32)CC1 ZINC001165023348 721838755 /nfs/dbraw/zinc/83/87/55/721838755.db2.gz VJEPYDBKFIETRJ-UHFFFAOYSA-N 1 0 426.586 4.426 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001165022410 721840937 /nfs/dbraw/zinc/84/09/37/721840937.db2.gz SKNQYOTXOUFNLH-UHFFFAOYSA-N 1 0 436.531 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3ccc(SC)cc32)CC1 ZINC001165031035 721844914 /nfs/dbraw/zinc/84/49/14/721844914.db2.gz PBBYGPAPSNCJDM-UHFFFAOYSA-N 1 0 438.597 4.470 20 0 IIADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164931898 721879801 /nfs/dbraw/zinc/87/98/01/721879801.db2.gz GOTLTZJGPOHCDG-IAGOWNOFSA-N 1 0 427.643 4.251 20 0 IIADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cnc2Cl)c1 ZINC001164935321 721890613 /nfs/dbraw/zinc/89/06/13/721890613.db2.gz VLJYPTPNXWXPPT-LEWJYISDSA-N 1 0 434.962 4.470 20 0 IIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164942475 721933644 /nfs/dbraw/zinc/93/36/44/721933644.db2.gz MDHKIZVTMWITOY-UHFFFAOYSA-N 1 0 431.584 4.405 20 0 IIADRO CC1CCN(Cc2nc3sc4c(c3c(N(C)CC3CC[NH+](C)CC3)n2)CCC4)CC1 ZINC001165042093 721937251 /nfs/dbraw/zinc/93/72/51/721937251.db2.gz FSWYPHMAXXKQTG-UHFFFAOYSA-N 1 0 427.662 4.190 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164949897 721968055 /nfs/dbraw/zinc/96/80/55/721968055.db2.gz ZGSMRXCGKMNFNP-SLQPCKNISA-N 1 0 432.612 4.397 20 0 IIADRO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954813 722013431 /nfs/dbraw/zinc/01/34/31/722013431.db2.gz OOXNXFHXQLRRCB-UHFFFAOYSA-N 1 0 433.600 4.032 20 0 IIADRO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953583 722018338 /nfs/dbraw/zinc/01/83/38/722018338.db2.gz VCGDZOGGDYFSKJ-UHFFFAOYSA-N 1 0 427.552 4.221 20 0 IIADRO Fc1ccc(-c2nc(Cl)cc(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1Cl ZINC001165055183 722019364 /nfs/dbraw/zinc/01/93/64/722019364.db2.gz LIFIXXDYJUGPDV-UHFFFAOYSA-N 1 0 432.330 4.349 20 0 IIADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955266 722020768 /nfs/dbraw/zinc/02/07/68/722020768.db2.gz CLZLSJYVMOBMFE-UHFFFAOYSA-N 1 0 442.341 4.302 20 0 IIADRO COc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1 ZINC001164964134 722057742 /nfs/dbraw/zinc/05/77/42/722057742.db2.gz RUMIAHDUBOFLOX-UHFFFAOYSA-N 1 0 432.568 4.066 20 0 IIADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985828 722101617 /nfs/dbraw/zinc/10/16/17/722101617.db2.gz XBMFDKXVGUEJHK-RDJZCZTQSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982066 722102042 /nfs/dbraw/zinc/10/20/42/722102042.db2.gz MRJWDFXTRVXWAJ-DOTOQJQBSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984708 722103001 /nfs/dbraw/zinc/10/30/01/722103001.db2.gz UCKWAKQNWWQVLY-QAPCUYQASA-N 1 0 443.325 4.056 20 0 IIADRO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973838 722117751 /nfs/dbraw/zinc/11/77/51/722117751.db2.gz HJSNRTFVMMDWLQ-VQIMIIECSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cccc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977894 722155855 /nfs/dbraw/zinc/15/58/55/722155855.db2.gz ZDWREODKQGXMOG-DYESRHJHSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972742 722157270 /nfs/dbraw/zinc/15/72/70/722157270.db2.gz JKQATRCQNKMTEL-APWZRJJASA-N 1 0 444.366 4.059 20 0 IIADRO CCOC(=O)c1cc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164996676 722204378 /nfs/dbraw/zinc/20/43/78/722204378.db2.gz VFMHWVGLWCMMLH-QHCPKHFHSA-N 1 0 440.544 4.252 20 0 IIADRO Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996496 722211664 /nfs/dbraw/zinc/21/16/64/722211664.db2.gz NPZJSOWBPQVJOT-AREMUKBSSA-N 1 0 445.542 4.421 20 0 IIADRO NC(=S)c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995707 722213796 /nfs/dbraw/zinc/21/37/96/722213796.db2.gz KBJSWPUIRXHFSI-JOCHJYFZSA-N 1 0 426.586 4.315 20 0 IIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000438359033 1126093367 /nfs/dbraw/zinc/09/33/67/1126093367.db2.gz RLPWUOKLASVMTJ-QFIPXVFZSA-N 1 0 443.547 4.250 20 0 IIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000482810273 1126094902 /nfs/dbraw/zinc/09/49/02/1126094902.db2.gz FCHWXNTUZIHNTC-LJQANCHMSA-N 1 0 439.357 4.118 20 0 IIADRO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cs1 ZINC001176596565 1126150104 /nfs/dbraw/zinc/15/01/04/1126150104.db2.gz BBYQKMKZFIHROC-HSZRJFAPSA-N 1 0 444.000 4.369 20 0 IIADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Br)cc1F ZINC001179278012 1126151846 /nfs/dbraw/zinc/15/18/46/1126151846.db2.gz QEZLNDUSKWNPJI-QGZVFWFLSA-N 1 0 431.143 4.434 20 0 IIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1C ZINC001202675587 1126157411 /nfs/dbraw/zinc/15/74/11/1126157411.db2.gz GEDCOIIPPTXAJD-INIZCTEOSA-N 1 0 442.195 4.104 20 0 IIADRO CCCOc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC ZINC001203119070 1126157613 /nfs/dbraw/zinc/15/76/13/1126157613.db2.gz OLNJDRZFFMJNBZ-QFIPXVFZSA-N 1 0 434.374 4.256 20 0 IIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC001308263821 1126164625 /nfs/dbraw/zinc/16/46/25/1126164625.db2.gz HCYZCQDEBINOFF-HNNXBMFYSA-N 1 0 425.273 4.225 20 0 IIADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001308464871 1126166031 /nfs/dbraw/zinc/16/60/31/1126166031.db2.gz RLQUVNLSOIKFLS-SFHVURJKSA-N 1 0 430.173 4.348 20 0 IIADRO Cc1ccc(-c2cnc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)o2)cc1 ZINC001473641330 1126198173 /nfs/dbraw/zinc/19/81/73/1126198173.db2.gz LXWASMCWQHMYQV-JOCHJYFZSA-N 1 0 427.342 4.422 20 0 IIADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001473839834 1126200191 /nfs/dbraw/zinc/20/01/91/1126200191.db2.gz KRGKAKSJVZASRU-NRFANRHFSA-N 1 0 429.929 4.394 20 0 IIADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001461670832 1126195829 /nfs/dbraw/zinc/19/58/29/1126195829.db2.gz ILHRNHHGAYZUIT-NRFANRHFSA-N 1 0 448.792 4.431 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc(OC(F)F)c(F)c2)CCc2cc(Br)ccc2C1 ZINC001474210187 1126202736 /nfs/dbraw/zinc/20/27/36/1126202736.db2.gz VJIPZRVRXSMNEA-IBGZPJMESA-N 1 0 430.264 4.199 20 0 IIADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001474226928 1126203271 /nfs/dbraw/zinc/20/32/71/1126203271.db2.gz NPMSCGSSECQHEZ-JOCHJYFZSA-N 1 0 434.374 4.195 20 0 IIADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(I)cc1Cl ZINC001560183329 1126209061 /nfs/dbraw/zinc/20/90/61/1126209061.db2.gz MMXKIKMBOCLMMA-QGZVFWFLSA-N 1 0 433.692 4.167 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(OC(F)F)ccc2Br)cc1 ZINC001560579828 1126213192 /nfs/dbraw/zinc/21/31/92/1126213192.db2.gz BHQGVPRJCOMGNN-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789699 1126242866 /nfs/dbraw/zinc/24/28/66/1126242866.db2.gz GJWFJXDWBPNPPF-NFBKMPQASA-N 1 0 446.469 4.293 20 0 IIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001620790783 1126243124 /nfs/dbraw/zinc/24/31/24/1126243124.db2.gz PJFQEGJIHNEZLE-LJQANCHMSA-N 1 0 439.357 4.118 20 0 IIADRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc(OC)c1OCc1ccccc1 ZINC000013863597 563013331 /nfs/dbraw/zinc/01/33/31/563013331.db2.gz LZUPBAJBKIDDAG-UHFFFAOYSA-N 1 0 426.557 4.277 20 0 IIADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CCC12CC[NH2+]CC2 ZINC001164388497 718815204 /nfs/dbraw/zinc/81/52/04/718815204.db2.gz ORUFZHFKWNPZMC-MRXNPFEDSA-N 1 0 447.839 4.248 20 0 IIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164430756 718948087 /nfs/dbraw/zinc/94/80/87/718948087.db2.gz XSZSBZHXGIKQFL-NQIIRXRSSA-N 1 0 442.897 4.426 20 0 IIADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164430758 718948270 /nfs/dbraw/zinc/94/82/70/718948270.db2.gz XSZSBZHXGIKQFL-WIYYLYMNSA-N 1 0 442.897 4.426 20 0 IIADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164619653 719007553 /nfs/dbraw/zinc/00/75/53/719007553.db2.gz WNHWOXYWJKZUIA-LIRRHRJNSA-N 1 0 448.341 4.083 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)CC1 ZINC001164617491 719026833 /nfs/dbraw/zinc/02/68/33/719026833.db2.gz MPXSBZLZZZTVJB-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO Clc1nc2c(c(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164628315 719044985 /nfs/dbraw/zinc/04/49/85/719044985.db2.gz XYLHAISYJZIGIY-NVQXNPDNSA-N 1 0 445.998 4.229 20 0 IIADRO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2n1 ZINC001164621011 719067571 /nfs/dbraw/zinc/06/75/71/719067571.db2.gz GBSNHXGNSHTZMW-UONOGXRCSA-N 1 0 449.773 4.481 20 0 IIADRO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626531 719075788 /nfs/dbraw/zinc/07/57/88/719075788.db2.gz OGIGJODYUYCGGE-APWZRJJASA-N 1 0 435.902 4.167 20 0 IIADRO O=C(c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630517 719099303 /nfs/dbraw/zinc/09/93/03/719099303.db2.gz WTZCIHIBTHLVQG-NZQKXSOJSA-N 1 0 439.003 4.462 20 0 IIADRO COc1ccc(OC)c(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164622306 719103285 /nfs/dbraw/zinc/10/32/85/719103285.db2.gz BROUMYALJZRZOA-HYBUGGRVSA-N 1 0 430.552 4.262 20 0 IIADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623312 719114326 /nfs/dbraw/zinc/11/43/26/719114326.db2.gz CMJJMTRBORUMOV-CVEARBPZSA-N 1 0 449.958 4.471 20 0 IIADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164671629 719446428 /nfs/dbraw/zinc/44/64/28/719446428.db2.gz QNIYPCANORLKCE-IAGOWNOFSA-N 1 0 446.523 4.096 20 0 IIADRO COC(=O)c1cccc2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ccc21 ZINC001164693845 719815150 /nfs/dbraw/zinc/81/51/50/719815150.db2.gz YXRJOWPQIZYYGP-UHFFFAOYSA-N 1 0 436.581 4.421 20 0 IIADRO Fc1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695349 719888389 /nfs/dbraw/zinc/88/83/89/719888389.db2.gz OXPNSKFKKOITCM-UHFFFAOYSA-N 1 0 431.911 4.352 20 0 IIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ccn5C4CCCC4)CC3)C2)c1 ZINC001164699001 719893448 /nfs/dbraw/zinc/89/34/48/719893448.db2.gz VJSAYLPLFWHGHY-UHFFFAOYSA-N 1 0 437.613 4.479 20 0 IIADRO CCCN(CCC)c1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699303 719896048 /nfs/dbraw/zinc/89/60/48/719896048.db2.gz ZLOIGACNNXEFOB-UHFFFAOYSA-N 1 0 429.634 4.036 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164712529 720101319 /nfs/dbraw/zinc/10/13/19/720101319.db2.gz WTMDAFLNVBPGKS-HSZRJFAPSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164710270 720101423 /nfs/dbraw/zinc/10/14/23/720101423.db2.gz IDGCFXPZQGLYQE-LJQANCHMSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164717341 720121579 /nfs/dbraw/zinc/12/15/79/720121579.db2.gz NGHTXRZMVWFBRJ-HXUWFJFHSA-N 1 0 449.624 4.254 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164712229 720140945 /nfs/dbraw/zinc/14/09/45/720140945.db2.gz LGILGIQWBAIZBR-QHCPKHFHSA-N 1 0 429.568 4.046 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810791 720197560 /nfs/dbraw/zinc/19/75/60/720197560.db2.gz CPNISAWEXRPCCG-YADARESESA-N 1 0 442.991 4.415 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813392 720198139 /nfs/dbraw/zinc/19/81/39/720198139.db2.gz PDIFETDXSTXNET-NTKDMRAZSA-N 1 0 442.991 4.415 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813473 720198271 /nfs/dbraw/zinc/19/82/71/720198271.db2.gz QAGVLRSPCZFWIY-GAJHUEQPSA-N 1 0 446.954 4.246 20 0 IIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826579 720309403 /nfs/dbraw/zinc/30/94/03/720309403.db2.gz VSDZACRQKWVKCD-LEWJYISDSA-N 1 0 426.992 4.108 20 0 IIADRO Cc1ccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164824732 720328896 /nfs/dbraw/zinc/32/88/96/720328896.db2.gz CWAIGWUSFZNKAP-SFTDATJTSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(C3CCCCC3)n2)CC1 ZINC001164824966 720351742 /nfs/dbraw/zinc/35/17/42/720351742.db2.gz IIQQOSNWDUTCOL-LEWJYISDSA-N 1 0 446.039 4.089 20 0 IIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732044 720477468 /nfs/dbraw/zinc/47/74/68/720477468.db2.gz YIPIAFBWSHIOHR-ROUUACIJSA-N 1 0 425.895 4.310 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841255 720521751 /nfs/dbraw/zinc/52/17/51/720521751.db2.gz XYXORXHHKUVBRO-FDFHNCONSA-N 1 0 436.991 4.371 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)nc1 ZINC001164734411 720541594 /nfs/dbraw/zinc/54/15/94/720541594.db2.gz IDISEARXPGTJQR-PLXFJCCSSA-N 1 0 436.600 4.478 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839163 720548309 /nfs/dbraw/zinc/54/83/09/720548309.db2.gz PRKTUFVSWSARAM-RZUBCFFCSA-N 1 0 436.991 4.371 20 0 IIADRO Cc1ccc(-c2nnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c3ccccc32)cc1 ZINC001164736978 720581405 /nfs/dbraw/zinc/58/14/05/720581405.db2.gz XBAGAAACVYCEDU-UHFFFAOYSA-N 1 0 438.579 4.460 20 0 IIADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164842882 720600640 /nfs/dbraw/zinc/60/06/40/720600640.db2.gz WFEMKFJFGZFAJY-CMKODMSKSA-N 1 0 436.629 4.063 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3OCc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839511 720619984 /nfs/dbraw/zinc/61/99/84/720619984.db2.gz NVYFTKPSTKUMRV-OEMFJLHTSA-N 1 0 449.574 4.374 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(Cl)nc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844130 720620965 /nfs/dbraw/zinc/62/09/65/720620965.db2.gz YXOWQIAIXHJZRF-PCCBWWKXSA-N 1 0 436.991 4.371 20 0 IIADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164837268 720627546 /nfs/dbraw/zinc/62/75/46/720627546.db2.gz HVZGODCPRSFEIK-OEMFJLHTSA-N 1 0 445.615 4.209 20 0 IIADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841536 720640119 /nfs/dbraw/zinc/64/01/19/720640119.db2.gz SPZNOUGBKFWOID-ZRCGQRJVSA-N 1 0 434.563 4.165 20 0 IIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837641 720653014 /nfs/dbraw/zinc/65/30/14/720653014.db2.gz DQEFEVSIYHNYIH-QHAWAJNXSA-N 1 0 439.991 4.471 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164842716 720667815 /nfs/dbraw/zinc/66/78/15/720667815.db2.gz TYQTYTXZCNTECG-OAQYLSRUSA-N 1 0 449.986 4.452 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164838298 720675537 /nfs/dbraw/zinc/67/55/37/720675537.db2.gz HBGUBOSBRXGVGI-SFHVURJKSA-N 1 0 437.918 4.420 20 0 IIADRO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164842687 720693245 /nfs/dbraw/zinc/69/32/45/720693245.db2.gz MPAJGSSOEGNEDB-FQEVSTJZSA-N 1 0 443.975 4.172 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164842669 720694033 /nfs/dbraw/zinc/69/40/33/720694033.db2.gz MKPQODBLXBMLEA-QGZVFWFLSA-N 1 0 444.004 4.308 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164839687 720694911 /nfs/dbraw/zinc/69/49/11/720694911.db2.gz BGGVMXUGXLPMIB-HXUWFJFHSA-N 1 0 427.552 4.371 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164843360 720698303 /nfs/dbraw/zinc/69/83/03/720698303.db2.gz ONOPVMCIAFAFCK-GOSISDBHSA-N 1 0 436.934 4.122 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164842899 720726498 /nfs/dbraw/zinc/72/64/98/720726498.db2.gz ZYCLJAJBPPXGRC-NRFANRHFSA-N 1 0 449.986 4.452 20 0 IIADRO COC(=O)c1cc(Cl)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164836919 720726887 /nfs/dbraw/zinc/72/68/87/720726887.db2.gz BWQWDBOBMYJGAB-IBGZPJMESA-N 1 0 443.975 4.090 20 0 IIADRO COc1cc(C)c2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838079 720730075 /nfs/dbraw/zinc/73/00/75/720730075.db2.gz QWLQZDLWJVKYRF-OAQYLSRUSA-N 1 0 432.568 4.207 20 0 IIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742963 720841264 /nfs/dbraw/zinc/84/12/64/720841264.db2.gz HOWMMARTIWGPOS-WOIUINJBSA-N 1 0 436.991 4.168 20 0 IIADRO Cc1csc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164752258 720869574 /nfs/dbraw/zinc/86/95/74/720869574.db2.gz MJMYNKVBQVDSHG-PXDATVDWSA-N 1 0 449.624 4.150 20 0 IIADRO Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752998 720880211 /nfs/dbraw/zinc/88/02/11/720880211.db2.gz OGAWSEYLRCTOGX-HOFKKMOUSA-N 1 0 443.595 4.088 20 0 IIADRO Fc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758133 720887382 /nfs/dbraw/zinc/88/73/82/720887382.db2.gz WZYDWKOCGWSANF-XXBNENTESA-N 1 0 430.955 4.024 20 0 IIADRO Cc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164752291 720908137 /nfs/dbraw/zinc/90/81/37/720908137.db2.gz NVJKYFFMUHZTJB-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755110 720918950 /nfs/dbraw/zinc/91/89/50/720918950.db2.gz YKEYEUQDBRMFNS-WNCULLNHSA-N 1 0 449.643 4.233 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@H]2C ZINC001164859927 720940083 /nfs/dbraw/zinc/94/00/83/720940083.db2.gz OOCWUUUPNIMZME-AWEZNQCLSA-N 1 0 434.922 4.446 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@H]2C ZINC001164856439 721008439 /nfs/dbraw/zinc/00/84/39/721008439.db2.gz AIJQRUDCOVQMKM-IBGZPJMESA-N 1 0 433.556 4.057 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763813 721031594 /nfs/dbraw/zinc/03/15/94/721031594.db2.gz LJSUZCCUTWFHMZ-GSLIJJQTSA-N 1 0 436.600 4.368 20 0 IIADRO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164770986 721161923 /nfs/dbraw/zinc/16/19/23/721161923.db2.gz RUDRKUJJFXDVDR-GOTSBHOMSA-N 1 0 438.579 4.297 20 0 IIADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879450 721167228 /nfs/dbraw/zinc/16/72/28/721167228.db2.gz SGNQNCCRFZUMHW-PMACEKPBSA-N 1 0 444.913 4.308 20 0 IIADRO Clc1ccc(Cl)c2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164872199 721179711 /nfs/dbraw/zinc/17/97/11/721179711.db2.gz GUQOSNHWWCIZFI-DLBZAZTESA-N 1 0 429.351 4.416 20 0 IIADRO Cc1sc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773830 721201363 /nfs/dbraw/zinc/20/13/63/721201363.db2.gz XIZFXZHFJTZHSQ-LEWJYISDSA-N 1 0 444.608 4.359 20 0 IIADRO Cc1sc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773831 721202545 /nfs/dbraw/zinc/20/25/45/721202545.db2.gz XIZFXZHFJTZHSQ-NHCUHLMSSA-N 1 0 444.608 4.359 20 0 IIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763955 721236639 /nfs/dbraw/zinc/23/66/39/721236639.db2.gz OMOSBOPJKUDCMT-HOTGVXAUSA-N 1 0 431.918 4.167 20 0 IIADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164769807 721298047 /nfs/dbraw/zinc/29/80/47/721298047.db2.gz NPZNVBHKSVAJLU-UHFFFAOYSA-N 1 0 425.646 4.216 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc(Cl)cc43)C2)C1 ZINC001164780026 721339515 /nfs/dbraw/zinc/33/95/15/721339515.db2.gz YOLIUXDUASXINC-HSZRJFAPSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780272 721363264 /nfs/dbraw/zinc/36/32/64/721363264.db2.gz FKVASCMKKAVVSR-QHCPKHFHSA-N 1 0 441.963 4.007 20 0 IIADRO Cc1csc2nc(C)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164783043 721369764 /nfs/dbraw/zinc/36/97/64/721369764.db2.gz OXKHFTWWWDEIIQ-QHCPKHFHSA-N 1 0 441.601 4.032 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164788035 721468676 /nfs/dbraw/zinc/46/86/76/721468676.db2.gz HRMSNYVQXFCZKU-HSZRJFAPSA-N 1 0 427.564 4.108 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164795739 721497498 /nfs/dbraw/zinc/49/74/98/721497498.db2.gz LHWIXIVJDLHGCT-UHFFFAOYSA-N 1 0 436.934 4.478 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164796341 721498488 /nfs/dbraw/zinc/49/84/88/721498488.db2.gz QSMVRRBZEFMDCO-UHFFFAOYSA-N 1 0 439.963 4.240 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@@H+]3C2)c1 ZINC001164907613 721526705 /nfs/dbraw/zinc/52/67/05/721526705.db2.gz NQJQJFBKFVQSSB-SJLPKXTDSA-N 1 0 448.876 4.309 20 0 IIADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@@H+]3C2)c1 ZINC001164909174 721555431 /nfs/dbraw/zinc/55/54/31/721555431.db2.gz SHJXZPOTTVHNEB-WBVHZDCISA-N 1 0 438.881 4.033 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@@H+]3C2)c1 ZINC001164908029 721567198 /nfs/dbraw/zinc/56/71/98/721567198.db2.gz PGXFYVMDMLLISZ-IEBWSBKVSA-N 1 0 437.893 4.336 20 0 IIADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@@H+]3C2)c1 ZINC001164909186 721567383 /nfs/dbraw/zinc/56/73/83/721567383.db2.gz SPRNLYPONPKNLL-IEBWSBKVSA-N 1 0 437.893 4.336 20 0 IIADRO C[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007487 721692453 /nfs/dbraw/zinc/69/24/53/721692453.db2.gz CMJXSRMMFFZXKU-ZDWFVDTJSA-N 1 0 428.964 4.263 20 0 IIADRO FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904731 721692447 /nfs/dbraw/zinc/69/24/47/721692447.db2.gz FYOBOSHUVNLDIA-NRFANRHFSA-N 1 0 433.934 4.142 20 0 IIADRO CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904924 721704150 /nfs/dbraw/zinc/70/41/50/721704150.db2.gz FRIGONRBYXHNNZ-HSZRJFAPSA-N 1 0 444.526 4.170 20 0 IIADRO CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH]1 ZINC001164906439 721720514 /nfs/dbraw/zinc/72/05/14/721720514.db2.gz LWWVBINOBBCQHI-OAQYLSRUSA-N 1 0 446.933 4.306 20 0 IIADRO Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)nn1 ZINC001164912961 721725849 /nfs/dbraw/zinc/72/58/49/721725849.db2.gz RUTHTZZTEBQCTI-SFHVURJKSA-N 1 0 443.876 4.116 20 0 IIADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915943 721803257 /nfs/dbraw/zinc/80/32/57/721803257.db2.gz MOEQYZZQXVBCBY-REWPJTCUSA-N 1 0 442.558 4.161 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915941 721803435 /nfs/dbraw/zinc/80/34/35/721803435.db2.gz MOEQYZZQXVBCBY-OFNKIYASSA-N 1 0 442.558 4.161 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165025807 721805047 /nfs/dbraw/zinc/80/50/47/721805047.db2.gz PFELISZSOLDGGG-YFNKSVMNSA-N 1 0 429.568 4.188 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165025805 721805099 /nfs/dbraw/zinc/80/50/99/721805099.db2.gz PFELISZSOLDGGG-OEMFJLHTSA-N 1 0 429.568 4.188 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@H]21 ZINC001165025806 721805162 /nfs/dbraw/zinc/80/51/62/721805162.db2.gz PFELISZSOLDGGG-QPTUXGOLSA-N 1 0 429.568 4.188 20 0 IIADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165027688 721809592 /nfs/dbraw/zinc/80/95/92/721809592.db2.gz VNDCCGZCHCLAEK-ODGPQVTHSA-N 1 0 430.552 4.153 20 0 IIADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165027693 721809731 /nfs/dbraw/zinc/80/97/31/721809731.db2.gz VNDCCGZCHCLAEK-SSPYTLHUSA-N 1 0 430.552 4.153 20 0 IIADRO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165025131 721811238 /nfs/dbraw/zinc/81/12/38/721811238.db2.gz LLGNILCOXZUBSE-WDYCEAGBSA-N 1 0 436.934 4.420 20 0 IIADRO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027062 721822173 /nfs/dbraw/zinc/82/21/73/721822173.db2.gz RLRAZSKXMBOAFM-ZTCOLXNVSA-N 1 0 430.552 4.153 20 0 IIADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2)n1 ZINC001165027507 721827651 /nfs/dbraw/zinc/82/76/51/721827651.db2.gz SMKDVOSMTYMRNV-BVSLBCMMSA-N 1 0 432.572 4.387 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]21 ZINC001165024028 721831832 /nfs/dbraw/zinc/83/18/32/721831832.db2.gz JIQALNLZMBOLGU-QGCDCVKKSA-N 1 0 430.531 4.382 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@@H]21 ZINC001165021529 721832123 /nfs/dbraw/zinc/83/21/23/721832123.db2.gz FYNKWQPMUOLIBY-UIAACRFSSA-N 1 0 437.638 4.062 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)nc1 ZINC001164925021 721840598 /nfs/dbraw/zinc/84/05/98/721840598.db2.gz ZRJFQFREFKBCOO-FBILRYNDSA-N 1 0 436.600 4.083 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164923105 721867842 /nfs/dbraw/zinc/86/78/42/721867842.db2.gz ICXXNIAPMXFOCE-VQTJNVASSA-N 1 0 436.934 4.041 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164934605 721885199 /nfs/dbraw/zinc/88/51/99/721885199.db2.gz SOXZJOOUSYGKDY-PMACEKPBSA-N 1 0 438.925 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164934607 721885408 /nfs/dbraw/zinc/88/54/08/721885408.db2.gz SOXZJOOUSYGKDY-VQTJNVASSA-N 1 0 438.925 4.301 20 0 IIADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)s1 ZINC001164938966 721927513 /nfs/dbraw/zinc/92/75/13/721927513.db2.gz DUZSWANQHBNDEA-UHFFFAOYSA-N 1 0 444.004 4.228 20 0 IIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164949890 721968040 /nfs/dbraw/zinc/96/80/40/721968040.db2.gz ZGSMRXCGKMNFNP-CMTIAEDTSA-N 1 0 432.612 4.397 20 0 IIADRO O=C(NCCSCc1ccco1)c1cccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047228 721973121 /nfs/dbraw/zinc/97/31/21/721973121.db2.gz FETILTMLIYOZJC-HXUWFJFHSA-N 1 0 442.629 4.183 20 0 IIADRO c1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c(N3CCCC3)nc2c1 ZINC001164955226 722021139 /nfs/dbraw/zinc/02/11/39/722021139.db2.gz ARLFJKKNFBPSAK-UHFFFAOYSA-N 1 0 428.584 4.118 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)nc1 ZINC001164958297 722029987 /nfs/dbraw/zinc/02/99/87/722029987.db2.gz OMMSBJQSOHGPEU-AZKZNFPZSA-N 1 0 440.563 4.368 20 0 IIADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc(C)c2c1 ZINC001164962471 722056053 /nfs/dbraw/zinc/05/60/53/722056053.db2.gz DUICKIOFVFZPFA-UHFFFAOYSA-N 1 0 432.568 4.066 20 0 IIADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985256 722101499 /nfs/dbraw/zinc/10/14/99/722101499.db2.gz VUCLJFFBPZJSFZ-CRAIPNDOSA-N 1 0 443.325 4.056 20 0 IIADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982137 722103016 /nfs/dbraw/zinc/10/30/16/722103016.db2.gz MZAZAWIMCPJARV-MAUKXSAKSA-N 1 0 443.325 4.056 20 0 IIADRO Fc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985262 722107835 /nfs/dbraw/zinc/10/78/35/722107835.db2.gz VWIYKHXREHYYGY-HTAPYJJXSA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cnc2cc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978194 722112271 /nfs/dbraw/zinc/11/22/71/722112271.db2.gz NTAZBNJOOBGGIR-IIBYNOLFSA-N 1 0 444.366 4.059 20 0 IIADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978248 722119006 /nfs/dbraw/zinc/11/90/06/722119006.db2.gz OCKSIUAPRXFONV-GHTZIAJQSA-N 1 0 426.923 4.150 20 0 IIADRO CC(C)(C)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978061 722138874 /nfs/dbraw/zinc/13/88/74/722138874.db2.gz JLUOJQWYQAMCEW-RTWAWAEBSA-N 1 0 437.632 4.194 20 0 IIADRO CC(C)(C)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978060 722139179 /nfs/dbraw/zinc/13/91/79/722139179.db2.gz JLUOJQWYQAMCEW-NHCUHLMSSA-N 1 0 437.632 4.194 20 0 IIADRO Fc1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972221 722152849 /nfs/dbraw/zinc/15/28/49/722152849.db2.gz HCFLDEMFAZUKLF-GCJKJVERSA-N 1 0 426.923 4.150 20 0 IIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977230 722158099 /nfs/dbraw/zinc/15/80/99/722158099.db2.gz YGQFGMRMAYXYBR-NQIIRXRSSA-N 1 0 448.945 4.280 20 0 IIADRO CCOC(=O)c1cc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164996675 722204568 /nfs/dbraw/zinc/20/45/68/722204568.db2.gz VFMHWVGLWCMMLH-HSZRJFAPSA-N 1 0 440.544 4.252 20 0 IIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997452 722211043 /nfs/dbraw/zinc/21/10/43/722211043.db2.gz QJYWUGKBZCYCFV-SANMLTNESA-N 1 0 429.543 4.411 20 0 IIADRO O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997669 1126095604 /nfs/dbraw/zinc/09/56/04/1126095604.db2.gz VKMWPPVLIZPIBB-MOPGFXCFSA-N 1 0 425.401 4.218 20 0 IIADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)cc12 ZINC001177829290 1126150765 /nfs/dbraw/zinc/15/07/65/1126150765.db2.gz MTGPMNROBWRQEZ-KRWDZBQOSA-N 1 0 425.964 4.323 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1Br ZINC001203282431 1126158053 /nfs/dbraw/zinc/15/80/53/1126158053.db2.gz HJAWSRPZIXRMMO-SFHVURJKSA-N 1 0 443.179 4.304 20 0 IIADRO OC[C@@]1([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)CCc2cc(Br)ccc2C1 ZINC001460422094 1126191155 /nfs/dbraw/zinc/19/11/55/1126191155.db2.gz JMHHXEAXPOXERJ-HXUWFJFHSA-N 1 0 448.748 4.162 20 0 IIADRO COc1cccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)co2)c1 ZINC001473840197 1126200651 /nfs/dbraw/zinc/20/06/51/1126200651.db2.gz SGYVBQVHUZBLMA-OAQYLSRUSA-N 1 0 431.330 4.196 20 0 IIADRO Cc1cc(Br)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001560458630 1126211085 /nfs/dbraw/zinc/21/10/85/1126211085.db2.gz ABDGVFSEEBHDED-HNNXBMFYSA-N 1 0 431.143 4.352 20 0 IIADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc(Cl)c1OC ZINC001560548066 1126211842 /nfs/dbraw/zinc/21/18/42/1126211842.db2.gz AAZCXTASNHUQJX-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)sc2Br)cc1 ZINC001560580348 1126213387 /nfs/dbraw/zinc/21/33/87/1126213387.db2.gz RTKZREDAJZIGGE-MRXNPFEDSA-N 1 0 449.208 4.365 20 0 IIADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001621038508 1126245361 /nfs/dbraw/zinc/24/53/61/1126245361.db2.gz CPLWKRDNXFPWFN-HXUWFJFHSA-N 1 0 440.765 4.347 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccnc3c(Br)cccc23)cc1OC ZINC001621057830 1126245736 /nfs/dbraw/zinc/24/57/36/1126245736.db2.gz USJKFXDTOQXOEP-QFIPXVFZSA-N 1 0 445.357 4.098 20 0 IIADRO Clc1ncc2c(c1N1CC[C@]3(CCOC3)C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164390331 718807504 /nfs/dbraw/zinc/80/75/04/718807504.db2.gz ODSLKODZRWZWPK-DEOSSOPVSA-N 1 0 439.987 4.373 20 0 IIADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164418154 718894183 /nfs/dbraw/zinc/89/41/83/718894183.db2.gz BOIRJKGMSREPBZ-LJQANCHMSA-N 1 0 428.621 4.041 20 0 IIADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)CC1 ZINC001164617178 719021639 /nfs/dbraw/zinc/02/16/39/719021639.db2.gz MRIZBTKLEDWSCH-UHFFFAOYSA-N 1 0 437.371 4.181 20 0 IIADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621033 719079052 /nfs/dbraw/zinc/07/90/52/719079052.db2.gz GLKICGUHCQUPCT-GHTZIAJQSA-N 1 0 436.943 4.171 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)nc1 ZINC001164650531 719295548 /nfs/dbraw/zinc/29/55/48/719295548.db2.gz IONSTFSVFBIDKI-BIATYSSJSA-N 1 0 436.600 4.367 20 0 IIADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164657999 719352738 /nfs/dbraw/zinc/35/27/38/719352738.db2.gz AVONIDYABDHFKS-UHFFFAOYSA-N 1 0 442.611 4.377 20 0 IIADRO Cc1ccc(-c2nnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c3ccccc32)cc1 ZINC001164679749 719636028 /nfs/dbraw/zinc/63/60/28/719636028.db2.gz LONUTHYDPMMECG-UHFFFAOYSA-N 1 0 426.568 4.277 20 0 IIADRO CCOC(=O)c1cc2ccnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2[nH]1 ZINC001164692618 719807345 /nfs/dbraw/zinc/80/73/45/719807345.db2.gz LRCFOERHNAGCSI-UHFFFAOYSA-N 1 0 439.585 4.140 20 0 IIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)cs1 ZINC001164693467 719815286 /nfs/dbraw/zinc/81/52/86/719815286.db2.gz VFBQBKFYRALGLE-UHFFFAOYSA-N 1 0 446.624 4.427 20 0 IIADRO Fc1cccc(Oc2cncc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696929 719896054 /nfs/dbraw/zinc/89/60/54/719896054.db2.gz IKTZGPZMXPLCTR-UHFFFAOYSA-N 1 0 440.544 4.341 20 0 IIADRO COc1cc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1F ZINC001164706259 719906582 /nfs/dbraw/zinc/90/65/82/719906582.db2.gz GNOCRJXIJIQTSM-UHFFFAOYSA-N 1 0 427.545 4.315 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164716932 720111315 /nfs/dbraw/zinc/11/13/15/720111315.db2.gz LRJIHSGXJXXFAC-IBGZPJMESA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164714925 720121719 /nfs/dbraw/zinc/12/17/19/720121719.db2.gz FMRQZYRBBWMZMO-NRFANRHFSA-N 1 0 437.975 4.186 20 0 IIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813359 720128250 /nfs/dbraw/zinc/12/82/50/720128250.db2.gz QHROBNRWEOZTNI-DNVCBOLYSA-N 1 0 431.980 4.187 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164711634 720129927 /nfs/dbraw/zinc/12/99/27/720129927.db2.gz HMPLFZHHNABKEE-QHCPKHFHSA-N 1 0 432.568 4.146 20 0 IIADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164711725 720147850 /nfs/dbraw/zinc/14/78/50/720147850.db2.gz ILGSGVSMXZENHN-OAQYLSRUSA-N 1 0 432.568 4.146 20 0 IIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711908 720157366 /nfs/dbraw/zinc/15/73/66/720157366.db2.gz DNFMVLQFTUAYFY-CTNGQTDRSA-N 1 0 448.615 4.374 20 0 IIADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164712418 720158317 /nfs/dbraw/zinc/15/83/17/720158317.db2.gz GMFHTCDEZUTFQS-NRFANRHFSA-N 1 0 446.599 4.128 20 0 IIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818446 720180017 /nfs/dbraw/zinc/18/00/17/720180017.db2.gz SVCGEMYDMDQKFP-FDDCHVKYSA-N 1 0 430.955 4.121 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827271 720329841 /nfs/dbraw/zinc/32/98/41/720329841.db2.gz HIZRTGYPMBYXPT-IAGOWNOFSA-N 1 0 433.021 4.170 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832465 720332704 /nfs/dbraw/zinc/33/27/04/720332704.db2.gz UAYQVBRWDSIGSU-LEWJYISDSA-N 1 0 426.992 4.108 20 0 IIADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001164828339 720351184 /nfs/dbraw/zinc/35/11/84/720351184.db2.gz OGSKXLMGRHGDKI-WOJBJXKFSA-N 1 0 447.410 4.453 20 0 IIADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725725 720440660 /nfs/dbraw/zinc/44/06/60/720440660.db2.gz AWCHEQHXZBRGCF-NHCUHLMSSA-N 1 0 448.640 4.152 20 0 IIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730280 720458360 /nfs/dbraw/zinc/45/83/60/720458360.db2.gz JEJPNSSYUMXGSJ-FUDKSRODSA-N 1 0 439.922 4.173 20 0 IIADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164722958 720475174 /nfs/dbraw/zinc/47/51/74/720475174.db2.gz BMXXUNKQVPTUSI-UIOOFZCWSA-N 1 0 437.547 4.457 20 0 IIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722946 720477456 /nfs/dbraw/zinc/47/74/56/720477456.db2.gz BHCJYIKVIHTHDQ-OALUTQOASA-N 1 0 425.895 4.310 20 0 IIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733273 720503870 /nfs/dbraw/zinc/50/38/70/720503870.db2.gz ZOICGZKGASCXPF-JQYIIUTOSA-N 1 0 449.599 4.038 20 0 IIADRO COc1cccc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834388 720506513 /nfs/dbraw/zinc/50/65/13/720506513.db2.gz FVFRHHXODGRZJR-NLWGTHIKSA-N 1 0 439.991 4.471 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)CC[C@@H]21 ZINC001164841262 720522383 /nfs/dbraw/zinc/52/23/83/720522383.db2.gz XYXORXHHKUVBRO-FSSWDIPSSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]21 ZINC001164840748 720571378 /nfs/dbraw/zinc/57/13/78/720571378.db2.gz SRPRATADLFWYMO-YDHSSHFGSA-N 1 0 436.991 4.371 20 0 IIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730355 720572656 /nfs/dbraw/zinc/57/26/56/720572656.db2.gz UXBZTPWLCQZESE-UHFFFAOYSA-N 1 0 446.382 4.405 20 0 IIADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835207 720585123 /nfs/dbraw/zinc/58/51/23/720585123.db2.gz AOHVHHFHJIMNBM-OKZBNKHCSA-N 1 0 448.949 4.336 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]21 ZINC001164843601 720614475 /nfs/dbraw/zinc/61/44/75/720614475.db2.gz YMIAAHWBEUZAIQ-NWSQWKLXSA-N 1 0 436.991 4.371 20 0 IIADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164836808 720634181 /nfs/dbraw/zinc/63/41/81/720634181.db2.gz GYHOCEMWAOFMAW-KNBMTAEXSA-N 1 0 444.505 4.281 20 0 IIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840596 720638788 /nfs/dbraw/zinc/63/87/88/720638788.db2.gz PXDQKMSZOKJNKP-ODGPQVTHSA-N 1 0 434.563 4.165 20 0 IIADRO COC(=O)c1cc(Cl)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164836920 720725894 /nfs/dbraw/zinc/72/58/94/720725894.db2.gz BWQWDBOBMYJGAB-LJQANCHMSA-N 1 0 443.975 4.090 20 0 IIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164838276 720727443 /nfs/dbraw/zinc/72/74/43/720727443.db2.gz HRKJEZSOCOAVHU-LJQANCHMSA-N 1 0 426.992 4.269 20 0 IIADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837912 720738779 /nfs/dbraw/zinc/73/87/79/720738779.db2.gz ORZVYMLVUWMOLE-UHFFFAOYSA-N 1 0 432.906 4.077 20 0 IIADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001164746827 720830736 /nfs/dbraw/zinc/83/07/36/720830736.db2.gz ZIWLLXHXHDTNNO-IIAWOOMASA-N 1 0 441.794 4.013 20 0 IIADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740479 720839749 /nfs/dbraw/zinc/83/97/49/720839749.db2.gz BZAHCCCHMNEJRG-KZNAEPCWSA-N 1 0 443.020 4.229 20 0 IIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739432 720841764 /nfs/dbraw/zinc/84/17/64/720841764.db2.gz AFMLNXLFLWZZFY-KCZVDYSFSA-N 1 0 436.991 4.168 20 0 IIADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164747953 720870227 /nfs/dbraw/zinc/87/02/27/720870227.db2.gz CWGWCFXHQHUWDR-IGKIAQTJSA-N 1 0 428.580 4.385 20 0 IIADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164747955 720870481 /nfs/dbraw/zinc/87/04/81/720870481.db2.gz CWGWCFXHQHUWDR-RPLLCQBOSA-N 1 0 428.580 4.385 20 0 IIADRO Fc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750767 720879414 /nfs/dbraw/zinc/87/94/14/720879414.db2.gz JRSMLOHDQPCTQP-WMZHIEFXSA-N 1 0 430.955 4.024 20 0 IIADRO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748409 720879815 /nfs/dbraw/zinc/87/98/15/720879815.db2.gz DQXFMICVFNKZEP-KCWPFWIISA-N 1 0 443.595 4.088 20 0 IIADRO Cc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164753001 720880121 /nfs/dbraw/zinc/88/01/21/720880121.db2.gz OGAWSEYLRCTOGX-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757460 720884627 /nfs/dbraw/zinc/88/46/27/720884627.db2.gz VBKFUVOTYSLZON-RPLLCQBOSA-N 1 0 432.612 4.111 20 0 IIADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755094 720886239 /nfs/dbraw/zinc/88/62/39/720886239.db2.gz KQCSTJGOIUOLBP-YIXXDRMTSA-N 1 0 443.595 4.088 20 0 IIADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746479 720910472 /nfs/dbraw/zinc/91/04/72/720910472.db2.gz AVDWYBHLNMDFSQ-OZXSUGGESA-N 1 0 435.616 4.059 20 0 IIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@@H]2C ZINC001164860712 720970215 /nfs/dbraw/zinc/97/02/15/720970215.db2.gz PPWKNIFQSUKODQ-GOSISDBHSA-N 1 0 447.562 4.237 20 0 IIADRO Cc1ccc(-c2nc3c(ncnc3N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)o2)cc1 ZINC001164860413 721005034 /nfs/dbraw/zinc/00/50/34/721005034.db2.gz NZRPWGLCYANJIK-QGZVFWFLSA-N 1 0 431.544 4.211 20 0 IIADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760582 721042715 /nfs/dbraw/zinc/04/27/15/721042715.db2.gz WXIJKYDFOSFMBN-UHFFFAOYSA-N 1 0 447.583 4.326 20 0 IIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872171 721167058 /nfs/dbraw/zinc/16/70/58/721167058.db2.gz GRWOIPVGPGEUBH-NHCUHLMSSA-N 1 0 449.986 4.289 20 0 IIADRO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164872204 721240013 /nfs/dbraw/zinc/24/00/13/721240013.db2.gz LFSLJCKFGVDJCF-FQEVSTJZSA-N 1 0 443.595 4.344 20 0 IIADRO O=C1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884695 721355236 /nfs/dbraw/zinc/35/52/36/721355236.db2.gz WGJCKXQCOUIKOX-PKTZIBPZSA-N 1 0 430.577 4.086 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164790080 721461400 /nfs/dbraw/zinc/46/14/00/721461400.db2.gz ZOSFIDHOUVEFFG-LJQANCHMSA-N 1 0 445.007 4.017 20 0 IIADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164791770 721464996 /nfs/dbraw/zinc/46/49/96/721464996.db2.gz YVKVBBVCZYCOJQ-IBGZPJMESA-N 1 0 447.023 4.259 20 0 IIADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1SC)CC2 ZINC001164783709 721465003 /nfs/dbraw/zinc/46/50/03/721465003.db2.gz FYHMMFPRIRDSFO-LJQANCHMSA-N 1 0 440.053 4.191 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793924 721475657 /nfs/dbraw/zinc/47/56/57/721475657.db2.gz ZYOOYNNHMYDQOW-QHCPKHFHSA-N 1 0 446.603 4.028 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793756 721489740 /nfs/dbraw/zinc/48/97/40/721489740.db2.gz VEPVUXVZJSHGDA-UHFFFAOYSA-N 1 0 428.964 4.188 20 0 IIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164792091 721491295 /nfs/dbraw/zinc/49/12/95/721491295.db2.gz GKKKIVHGZUNHBO-UHFFFAOYSA-N 1 0 430.021 4.195 20 0 IIADRO CCCCOc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806800 721572337 /nfs/dbraw/zinc/57/23/37/721572337.db2.gz RTPJFMFGJGERQI-FSSWDIPSSA-N 1 0 430.980 4.177 20 0 IIADRO C[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007485 721692432 /nfs/dbraw/zinc/69/24/32/721692432.db2.gz CMJXSRMMFFZXKU-HFXUHXBXSA-N 1 0 428.964 4.263 20 0 IIADRO FC(F)(Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907988 721695757 /nfs/dbraw/zinc/69/57/57/721695757.db2.gz XTBMUABUVABGOA-SFHVURJKSA-N 1 0 444.860 4.292 20 0 IIADRO FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906537 721707680 /nfs/dbraw/zinc/70/76/80/721707680.db2.gz MPAZTMFHAXRPBU-OAQYLSRUSA-N 1 0 429.902 4.416 20 0 IIADRO CCCN(CCC)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908768 721715843 /nfs/dbraw/zinc/71/58/43/721715843.db2.gz ZBBDSGSAQKPSME-HSZRJFAPSA-N 1 0 444.574 4.236 20 0 IIADRO FC1(F)CCN(c2cc(-c3cccs3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911167 721726579 /nfs/dbraw/zinc/72/65/79/721726579.db2.gz IKHYRDUMEWUOQN-NRFANRHFSA-N 1 0 427.524 4.338 20 0 IIADRO CCc1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912894 721736220 /nfs/dbraw/zinc/73/62/20/721736220.db2.gz QXDUUNKKTDFIJB-IBGZPJMESA-N 1 0 442.341 4.479 20 0 IIADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026613 721799130 /nfs/dbraw/zinc/79/91/30/721799130.db2.gz ROFTUYUCCGHDDD-AQKFKSFVSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@@H]21 ZINC001165025895 721802687 /nfs/dbraw/zinc/80/26/87/721802687.db2.gz PVDKZZKBZVFKHL-KSNOWIBYSA-N 1 0 447.627 4.276 20 0 IIADRO COc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c(Cl)nc2c1 ZINC001165026405 721809198 /nfs/dbraw/zinc/80/91/98/721809198.db2.gz PUHAORKUFRTNSS-DKZVUGQWSA-N 1 0 437.975 4.424 20 0 IIADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027411 721809224 /nfs/dbraw/zinc/80/92/24/721809224.db2.gz URLUUYFVJVKLSH-OYDLWJJNSA-N 1 0 430.552 4.153 20 0 IIADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025854 721811643 /nfs/dbraw/zinc/81/16/43/721811643.db2.gz NZBWMGKAFSTSAS-FFZOFVMBSA-N 1 0 437.975 4.424 20 0 IIADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2n1 ZINC001165025260 721814341 /nfs/dbraw/zinc/81/43/41/721814341.db2.gz MBUWPUSWHYOXNB-QRFRQXIXSA-N 1 0 437.975 4.424 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@@H]21 ZINC001165027664 721816067 /nfs/dbraw/zinc/81/60/67/721816067.db2.gz VMHQOKFCKXTULV-GVXSCFBNSA-N 1 0 429.568 4.188 20 0 IIADRO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165025557 721818285 /nfs/dbraw/zinc/81/82/85/721818285.db2.gz NQAUIQMYJRMOLX-OPHFCASCSA-N 1 0 429.568 4.284 20 0 IIADRO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1Cl ZINC001165026798 721820346 /nfs/dbraw/zinc/82/03/46/721820346.db2.gz RDWZWRDSXHMEQX-QRFRQXIXSA-N 1 0 428.964 4.044 20 0 IIADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028380 721827621 /nfs/dbraw/zinc/82/76/21/721827621.db2.gz VRLXYVZYFOKASP-BGWNEDDSSA-N 1 0 428.584 4.287 20 0 IIADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026737 721828861 /nfs/dbraw/zinc/82/88/61/721828861.db2.gz PWXVUKALVNRXNL-ICDZXHCJSA-N 1 0 443.595 4.496 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]21 ZINC001165024018 721828878 /nfs/dbraw/zinc/82/88/78/721828878.db2.gz JHICGENIYLMUQL-KSEOMHKRSA-N 1 0 430.556 4.141 20 0 IIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]21 ZINC001165026312 721829983 /nfs/dbraw/zinc/82/99/83/721829983.db2.gz OTFQGNWXDBCTER-RCZSKKKRSA-N 1 0 434.975 4.324 20 0 IIADRO CCOC(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165017452 721837723 /nfs/dbraw/zinc/83/77/23/721837723.db2.gz MLYFZZGYCVXLLV-UHFFFAOYSA-N 1 0 447.963 4.030 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2CSCC3)CC1 ZINC001165023339 721839100 /nfs/dbraw/zinc/83/91/00/721839100.db2.gz UXTXOYIBSQRJOM-UHFFFAOYSA-N 1 0 449.020 4.037 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3c2CCCC3)CC1 ZINC001165019303 721840181 /nfs/dbraw/zinc/84/01/81/721840181.db2.gz CKOSJNASBAMKJQ-UHFFFAOYSA-N 1 0 430.980 4.127 20 0 IIADRO COC(=O)c1ccc2ccnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165023459 721840194 /nfs/dbraw/zinc/84/01/94/721840194.db2.gz YJWRDRVEVFWIMF-UHFFFAOYSA-N 1 0 449.551 4.139 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001165019236 721840801 /nfs/dbraw/zinc/84/08/01/721840801.db2.gz ASFGAHCOISLRQV-UHFFFAOYSA-N 1 0 441.572 4.155 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3ccc(Cl)cc3n2)CC1 ZINC001165020495 721841579 /nfs/dbraw/zinc/84/15/79/721841579.db2.gz FFHIDJPMJUVIOS-UHFFFAOYSA-N 1 0 426.948 4.401 20 0 IIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001165029797 721845414 /nfs/dbraw/zinc/84/54/14/721845414.db2.gz DMMDJHUPOQFFME-UHFFFAOYSA-N 1 0 435.572 4.343 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164923104 721867656 /nfs/dbraw/zinc/86/76/56/721867656.db2.gz ICXXNIAPMXFOCE-UXHICEINSA-N 1 0 436.934 4.041 20 0 IIADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164929451 721885303 /nfs/dbraw/zinc/88/53/03/721885303.db2.gz BLCXCXAPKUEOPM-WOJBJXKFSA-N 1 0 438.925 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164934606 721885317 /nfs/dbraw/zinc/88/53/17/721885317.db2.gz SOXZJOOUSYGKDY-UXHICEINSA-N 1 0 438.925 4.301 20 0 IIADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164929444 721885442 /nfs/dbraw/zinc/88/54/42/721885442.db2.gz BLCXCXAPKUEOPM-UXHICEINSA-N 1 0 438.925 4.301 20 0 IIADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938772 721920505 /nfs/dbraw/zinc/92/05/05/721920505.db2.gz RBXTUDPKHXHGTB-UHFFFAOYSA-N 1 0 443.975 4.092 20 0 IIADRO CC(C)(C)OC(=O)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001165052444 721993873 /nfs/dbraw/zinc/99/38/73/721993873.db2.gz YUWQHWHFISORCA-HNNXBMFYSA-N 1 0 427.923 4.215 20 0 IIADRO CC(C)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960659 722059843 /nfs/dbraw/zinc/05/98/43/722059843.db2.gz GDYQLCKEFPUWFD-UHFFFAOYSA-N 1 0 431.584 4.267 20 0 IIADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963005 722061852 /nfs/dbraw/zinc/06/18/52/722061852.db2.gz ARXOQVGLENRXPH-GOSISDBHSA-N 1 0 444.023 4.466 20 0 IIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CNC3=O)nc1 ZINC001164968218 722078518 /nfs/dbraw/zinc/07/85/18/722078518.db2.gz WNJZHUKAENMQSS-DEOSSOPVSA-N 1 0 432.612 4.478 20 0 IIADRO Fc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985263 722108049 /nfs/dbraw/zinc/10/80/49/722108049.db2.gz VWIYKHXREHYYGY-JTSKRJEESA-N 1 0 426.923 4.150 20 0 IIADRO Clc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973833 722117356 /nfs/dbraw/zinc/11/73/56/722117356.db2.gz HJSNRTFVMMDWLQ-LPHOPBHVSA-N 1 0 444.366 4.059 20 0 IIADRO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973831 722117505 /nfs/dbraw/zinc/11/75/05/722117505.db2.gz HJSNRTFVMMDWLQ-APWZRJJASA-N 1 0 444.366 4.059 20 0 IIADRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973825 722118590 /nfs/dbraw/zinc/11/85/90/722118590.db2.gz HHQOLYZDNMOVCP-JPYJTQIMSA-N 1 0 438.959 4.019 20 0 IIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971129 722153796 /nfs/dbraw/zinc/15/37/96/722153796.db2.gz ATWXYHDTESNOJM-IRLDBZIGSA-N 1 0 442.007 4.300 20 0 IIADRO Fc1ccc(F)c2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975322 722157146 /nfs/dbraw/zinc/15/71/46/722157146.db2.gz SHSCPZJOKWWIDQ-UZLBHIALSA-N 1 0 444.913 4.289 20 0 IIADRO CCOC(=O)c1ccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994003 722199516 /nfs/dbraw/zinc/19/95/16/722199516.db2.gz CIHANXKUIKUEAW-RUZDIDTESA-N 1 0 434.515 4.191 20 0 IIADRO COC(=O)c1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997834 722210761 /nfs/dbraw/zinc/21/07/61/722210761.db2.gz SITMCENSTGDOHZ-SANMLTNESA-N 1 0 449.526 4.414 20 0 IIADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc(Br)c1OC(F)F ZINC000466911195 1126094184 /nfs/dbraw/zinc/09/41/84/1126094184.db2.gz ORIVRYCODAFDKS-OAHLLOKOSA-N 1 0 430.289 4.061 20 0 IIADRO O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494605196 1126094894 /nfs/dbraw/zinc/09/48/94/1126094894.db2.gz RWKJSVNVYZPHAF-PMACEKPBSA-N 1 0 439.428 4.277 20 0 IIADRO O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511997672 1126095612 /nfs/dbraw/zinc/09/56/12/1126095612.db2.gz VKMWPPVLIZPIBB-RTBURBONSA-N 1 0 425.401 4.218 20 0 IIADRO COc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Br ZINC000556731039 1126096959 /nfs/dbraw/zinc/09/69/59/1126096959.db2.gz AIQLCHAUAFQPRV-CQSZACIVSA-N 1 0 447.142 4.053 20 0 IIADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cn1 ZINC000756118025 1126107023 /nfs/dbraw/zinc/10/70/23/1126107023.db2.gz JXWVUKDOQDCFSR-SJLPKXTDSA-N 1 0 425.451 4.053 20 0 IIADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001179278330 1126152115 /nfs/dbraw/zinc/15/21/15/1126152115.db2.gz UWSVNFRKPRFLCJ-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001179278758 1126152344 /nfs/dbraw/zinc/15/23/44/1126152344.db2.gz ZHARMLLVSFVBSL-NRFANRHFSA-N 1 0 432.337 4.166 20 0 IIADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(Cl)c1OC ZINC001308463987 1126166038 /nfs/dbraw/zinc/16/60/38/1126166038.db2.gz JNVVYHLHSAQDJI-HXUWFJFHSA-N 1 0 440.765 4.129 20 0 IIADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001308464869 1126166086 /nfs/dbraw/zinc/16/60/86/1126166086.db2.gz RLQUVNLSOIKFLS-GOSISDBHSA-N 1 0 430.173 4.348 20 0 IIADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)cc2SC)cc1OC ZINC001308513036 1126167587 /nfs/dbraw/zinc/16/75/87/1126167587.db2.gz MKEKQHWHRCHGND-HXUWFJFHSA-N 1 0 440.403 4.272 20 0 IIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460863031 1126192673 /nfs/dbraw/zinc/19/26/73/1126192673.db2.gz VGCMRZQZBFHXOW-HXUWFJFHSA-N 1 0 437.403 4.306 20 0 IIADRO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cs2)c1 ZINC001460867144 1126192845 /nfs/dbraw/zinc/19/28/45/1126192845.db2.gz HPDHVLVGXJKWFP-DEOSSOPVSA-N 1 0 441.572 4.164 20 0 IIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc2)n1 ZINC001460424869 1126191260 /nfs/dbraw/zinc/19/12/60/1126191260.db2.gz UXBJHTFWYLCCBC-HSZRJFAPSA-N 1 0 440.385 4.261 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC001473838141 1126199000 /nfs/dbraw/zinc/19/90/00/1126199000.db2.gz DCTRYOCRLMHRKQ-IBGZPJMESA-N 1 0 430.289 4.142 20 0 IIADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC001473839014 1126199573 /nfs/dbraw/zinc/19/95/73/1126199573.db2.gz PZLLJNYTVBYBRP-DEOSSOPVSA-N 1 0 435.549 4.156 20 0 IIADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OCC(F)(F)F ZINC001473998123 1126201121 /nfs/dbraw/zinc/20/11/21/1126201121.db2.gz BHDKYNNWDOYWTF-MAUKXSAKSA-N 1 0 437.380 4.260 20 0 IIADRO OC[C@]1([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCc2cc(Br)ccc2C1 ZINC001474208365 1126202502 /nfs/dbraw/zinc/20/25/02/1126202502.db2.gz BUIQFWUJFYPPEX-NRFANRHFSA-N 1 0 433.296 4.285 20 0 IIADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC001474226764 1126203188 /nfs/dbraw/zinc/20/31/88/1126203188.db2.gz IDEZMCSVYGCCQY-OAQYLSRUSA-N 1 0 432.337 4.166 20 0 IIADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC001560182434 1126208529 /nfs/dbraw/zinc/20/85/29/1126208529.db2.gz DQBAOHRKMHEMHC-KRWDZBQOSA-N 1 0 433.692 4.167 20 0 IIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001620419109 1126240387 /nfs/dbraw/zinc/24/03/87/1126240387.db2.gz OCXFKDNXDNGFQH-NRFANRHFSA-N 1 0 449.414 4.232 20 0 IIADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(Cl)c1OC ZINC001621022376 1126244592 /nfs/dbraw/zinc/24/45/92/1126244592.db2.gz UHQCGMVDBIJKNA-LJQANCHMSA-N 1 0 428.754 4.203 20 0 IIADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC001621022246 1126244674 /nfs/dbraw/zinc/24/46/74/1126244674.db2.gz OPCMBMLTDCJQRQ-QGZVFWFLSA-N 1 0 446.158 4.016 20 0 IIADRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OCc1cccnc1 ZINC001620789702 1126242790 /nfs/dbraw/zinc/24/27/90/1126242790.db2.gz GJWFJXDWBPNPPF-REWPJTCUSA-N 1 0 446.469 4.293 20 0 IIADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000020476843 520591299 /nfs/dbraw/zinc/59/12/99/520591299.db2.gz GGHFKEOQHMFUQK-MRXNPFEDSA-N 1 0 429.152 4.434 20 0 IIADRO