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)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164413231 718880169 /nfs/dbraw/zinc/88/01/69/718880169.db2.gz DXVKJMDTTPAALQ-OAQYLSRUSA-N 1 1 430.518 4.293 20 0 IIADMO O=C(c1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCCC1 ZINC001164629075 719065185 /nfs/dbraw/zinc/06/51/85/719065185.db2.gz VJEJHWKAPLABLB-RBBKRZOGSA-N 1 1 439.003 4.462 20 0 IIADMO c1ccc(CN2CCc3c(ncnc3N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001164627182 719074318 /nfs/dbraw/zinc/07/43/18/719074318.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 1 1 439.607 4.136 20 0 IIADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623327 719114464 /nfs/dbraw/zinc/11/44/64/719114464.db2.gz CMJJMTRBORUMOV-HZPDHXFCSA-N 1 1 449.958 4.471 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164647846 719309049 /nfs/dbraw/zinc/30/90/49/719309049.db2.gz NVBTVFCDLLLJST-UHFFFAOYSA-N 1 1 440.951 4.291 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164649631 719312175 /nfs/dbraw/zinc/31/21/75/719312175.db2.gz PSYITCVVWBQMBE-UHFFFAOYSA-N 1 1 433.984 4.092 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164655752 719318092 /nfs/dbraw/zinc/31/80/92/719318092.db2.gz XPVBJWUDCBXWTE-UHFFFAOYSA-N 1 1 432.783 4.100 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH]1 ZINC001164672548 719519100 /nfs/dbraw/zinc/51/91/00/719519100.db2.gz KBOSUROIDLTMBY-UHFFFAOYSA-N 1 1 443.954 4.184 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH]1 ZINC001164672548 719519107 /nfs/dbraw/zinc/51/91/07/719519107.db2.gz KBOSUROIDLTMBY-UHFFFAOYSA-N 1 1 443.954 4.184 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164694488 719807401 /nfs/dbraw/zinc/80/74/01/719807401.db2.gz YWZWFEKZLDSGGS-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCC[C@@H](C)C4)ncn2)CC3)cs1 ZINC001164693930 719815282 /nfs/dbraw/zinc/81/52/82/719815282.db2.gz ZIQKVJGACAAQPE-GOSISDBHSA-N 1 1 426.634 4.113 20 0 IIADMO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699781 719886699 /nfs/dbraw/zinc/88/66/99/719886699.db2.gz ILCYEEBAHSBNIB-UHFFFAOYSA-N 1 1 449.354 4.261 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694874 719886964 /nfs/dbraw/zinc/88/69/64/719886964.db2.gz GEERFDNTAHWDIK-UHFFFAOYSA-N 1 1 449.354 4.261 20 0 IIADMO Clc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695053 719890618 /nfs/dbraw/zinc/89/06/18/719890618.db2.gz JSVJSNGPGVGCOM-UHFFFAOYSA-N 1 1 441.988 4.125 20 0 IIADMO Clc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695053 719890619 /nfs/dbraw/zinc/89/06/19/719890619.db2.gz JSVJSNGPGVGCOM-UHFFFAOYSA-N 1 1 441.988 4.125 20 0 IIADMO COc1cc2cc[nH+]c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2cc1OC ZINC001164696599 719893634 /nfs/dbraw/zinc/89/36/34/719893634.db2.gz GERHQQDBFMQUIP-UHFFFAOYSA-N 1 1 439.581 4.185 20 0 IIADMO Fc1cc2ncc(Cl)nc2cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707736 719899541 /nfs/dbraw/zinc/89/95/41/719899541.db2.gz WXHDUWSTYLOFHU-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805916 720090500 /nfs/dbraw/zinc/09/05/00/720090500.db2.gz APZNGFKXVAVDEL-LIRRHRJNSA-N 1 1 442.963 4.074 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164814904 720114253 /nfs/dbraw/zinc/11/42/53/720114253.db2.gz TYKNDWBAFXDWIX-SDWUMEBZSA-N 1 1 426.630 4.001 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813365 720128314 /nfs/dbraw/zinc/12/83/14/720128314.db2.gz QHROBNRWEOZTNI-KXBFYZLASA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164712744 720148496 /nfs/dbraw/zinc/14/84/96/720148496.db2.gz OVJWCHOTZATORC-HXUWFJFHSA-N 1 1 437.613 4.211 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164713614 720149185 /nfs/dbraw/zinc/14/91/85/720149185.db2.gz SVVNOBQIDMZDPC-QHCPKHFHSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164713039 720151800 /nfs/dbraw/zinc/15/18/00/720151800.db2.gz PEWMNZYLZJLCSU-NRFANRHFSA-N 1 1 435.597 4.108 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164712657 720153034 /nfs/dbraw/zinc/15/30/34/720153034.db2.gz NYPNWSCKAHNWNN-JOCHJYFZSA-N 1 1 431.584 4.149 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817475 720154127 /nfs/dbraw/zinc/15/41/27/720154127.db2.gz PNWJYUYZHFYTIM-PXDATVDWSA-N 1 1 442.003 4.499 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818452 720180103 /nfs/dbraw/zinc/18/01/03/720180103.db2.gz SVCGEMYDMDQKFP-WZONZLPQSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817120 720180676 /nfs/dbraw/zinc/18/06/76/720180676.db2.gz OAQWYJMGXGXGHI-HXOBKFHXSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811488 720197814 /nfs/dbraw/zinc/19/78/14/720197814.db2.gz IKTAFYUZCJDZSD-UZUQRXQVSA-N 1 1 446.954 4.246 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164726213 720317121 /nfs/dbraw/zinc/31/71/21/720317121.db2.gz YNYHKSRXWWECCQ-FYYLOGMGSA-N 1 1 438.620 4.036 20 0 IIADMO Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821738 720389960 /nfs/dbraw/zinc/38/99/60/720389960.db2.gz ILTHLGQBMDWOGA-QKNQBKEWSA-N 1 1 449.020 4.049 20 0 IIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729621 720478847 /nfs/dbraw/zinc/47/88/47/720478847.db2.gz SAIAXVPHNQNLFP-UXHICEINSA-N 1 1 437.931 4.179 20 0 IIADMO O[C@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]1Cc1ccccc1 ZINC001164835410 720491970 /nfs/dbraw/zinc/49/19/70/720491970.db2.gz XVOYXQCXTOQETK-SFTDATJTSA-N 1 1 448.636 4.348 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]21 ZINC001164835929 720598587 /nfs/dbraw/zinc/59/85/87/720598587.db2.gz CSSQZMDAHCOGSB-SGNDLWITSA-N 1 1 431.584 4.235 20 0 IIADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164835935 720621880 /nfs/dbraw/zinc/62/18/80/720621880.db2.gz CWNWXKOUFUMRRD-GIFXNVAJSA-N 1 1 430.600 4.280 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(SCc4ccccc4)ncn3)CC[C@@H]21 ZINC001164836313 720628592 /nfs/dbraw/zinc/62/85/92/720628592.db2.gz FSJDLUSKVCZZTL-VJBWXMMDSA-N 1 1 448.640 4.343 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843193 720657030 /nfs/dbraw/zinc/65/70/30/720657030.db2.gz UVHVRVMIJGEXIS-IBGZPJMESA-N 1 1 443.975 4.172 20 0 IIADMO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843297 720671837 /nfs/dbraw/zinc/67/18/37/720671837.db2.gz VYCDBVOGFFYBLK-GOSISDBHSA-N 1 1 436.934 4.243 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164842385 720707995 /nfs/dbraw/zinc/70/79/95/720707995.db2.gz YYYCCNAIHUKMSY-SFHVURJKSA-N 1 1 436.934 4.122 20 0 IIADMO O=C1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844795 720762605 /nfs/dbraw/zinc/76/26/05/720762605.db2.gz CZAFQADCCDOMMB-FTJBHMTQSA-N 1 1 438.575 4.414 20 0 IIADMO COC[C@]12CCC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846684 720791919 /nfs/dbraw/zinc/79/19/19/720791919.db2.gz KEDQSNMROBAJPY-BXKMTCNYSA-N 1 1 426.630 4.419 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740001 720840199 /nfs/dbraw/zinc/84/01/99/720840199.db2.gz BKVSGGKUNIDVQK-TUNNFDKTSA-N 1 1 436.991 4.168 20 0 IIADMO c1ccc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164752931 720877897 /nfs/dbraw/zinc/87/78/97/720877897.db2.gz NNAIDNHPDQCQSL-BDYUSTAISA-N 1 1 428.580 4.385 20 0 IIADMO Fc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750768 720878990 /nfs/dbraw/zinc/87/89/90/720878990.db2.gz JRSMLOHDQPCTQP-XXBNENTESA-N 1 1 430.955 4.024 20 0 IIADMO c1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164751740 720882305 /nfs/dbraw/zinc/88/23/05/720882305.db2.gz DDXGVQRQKSVTFP-RDGATRHJSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755090 720886518 /nfs/dbraw/zinc/88/65/18/720886518.db2.gz KQCSTJGOIUOLBP-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO Cc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755984 720892765 /nfs/dbraw/zinc/89/27/65/720892765.db2.gz NXQKZYPXEMXCSW-RPLLCQBOSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)Oc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758170 720894713 /nfs/dbraw/zinc/89/47/13/720894713.db2.gz XIXDLPKQRPNPPD-ZEQKJWHPSA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@H]2C ZINC001164862482 721012866 /nfs/dbraw/zinc/01/28/66/721012866.db2.gz QOKWUQDDKDWVST-INIZCTEOSA-N 1 1 449.584 4.478 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767612 721097694 /nfs/dbraw/zinc/09/76/94/721097694.db2.gz MNZJSPYKMDALAS-PMACEKPBSA-N 1 1 430.581 4.050 20 0 IIADMO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cs1 ZINC001164877031 721148962 /nfs/dbraw/zinc/14/89/62/721148962.db2.gz OARNFTGJGGXRFV-RTWAWAEBSA-N 1 1 443.576 4.233 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761645 721155263 /nfs/dbraw/zinc/15/52/63/721155263.db2.gz ABXQCZPRFOXSDD-ROUUACIJSA-N 1 1 431.918 4.125 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878939 721159300 /nfs/dbraw/zinc/15/93/00/721159300.db2.gz RAGJHKMQJVXUGX-DHIUTWEWSA-N 1 1 432.593 4.249 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872175 721166622 /nfs/dbraw/zinc/16/66/22/721166622.db2.gz GRWOIPVGPGEUBH-SFTDATJTSA-N 1 1 449.986 4.289 20 0 IIADMO Clc1ccc2ccc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880446 721181026 /nfs/dbraw/zinc/18/10/26/721181026.db2.gz WRWJLQXFKQCNCA-MSOLQXFVSA-N 1 1 429.351 4.416 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767633 721184040 /nfs/dbraw/zinc/18/40/40/721184040.db2.gz KFYMIQPOUHCFSN-SFTDATJTSA-N 1 1 437.975 4.006 20 0 IIADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1 ZINC001164773896 721192654 /nfs/dbraw/zinc/19/26/54/721192654.db2.gz XXYATHIGIWJLAV-PKTZIBPZSA-N 1 1 438.579 4.297 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC001164871690 721221704 /nfs/dbraw/zinc/22/17/04/721221704.db2.gz KOGPSVRZULJNKV-HSZRJFAPSA-N 1 1 435.616 4.289 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760720 721249500 /nfs/dbraw/zinc/24/95/00/721249500.db2.gz GHZKTCHNSIYOFA-IRXDYDNUSA-N 1 1 447.917 4.232 20 0 IIADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770565 721292965 /nfs/dbraw/zinc/29/29/65/721292965.db2.gz UGLXSVUIGRKRIO-UHFFFAOYSA-N 1 1 448.087 4.319 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776587 721338398 /nfs/dbraw/zinc/33/83/98/721338398.db2.gz GQDVQZNAYXBDIU-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO O=C1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884685 721355098 /nfs/dbraw/zinc/35/50/98/721355098.db2.gz WGJCKXQCOUIKOX-DHIUTWEWSA-N 1 1 430.577 4.086 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164780806 721363411 /nfs/dbraw/zinc/36/34/11/721363411.db2.gz HRNGCXMSUHJBJJ-QHCPKHFHSA-N 1 1 448.011 4.151 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164780806 721363414 /nfs/dbraw/zinc/36/34/14/721363414.db2.gz HRNGCXMSUHJBJJ-QHCPKHFHSA-N 1 1 448.011 4.151 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)C1 ZINC001164787060 721366606 /nfs/dbraw/zinc/36/66/06/721366606.db2.gz XXHOTFOWFZIKES-SANMLTNESA-N 1 1 447.583 4.176 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)C1 ZINC001164787060 721366610 /nfs/dbraw/zinc/36/66/10/721366610.db2.gz XXHOTFOWFZIKES-SANMLTNESA-N 1 1 447.583 4.176 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164791015 721425940 /nfs/dbraw/zinc/42/59/40/721425940.db2.gz ZANXYLKTSLNXQH-GUDVDZBRSA-N 1 1 434.613 4.033 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164788910 721426048 /nfs/dbraw/zinc/42/60/48/721426048.db2.gz UEZIJRBNPAJGMG-KBPBESRZSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780873 721437259 /nfs/dbraw/zinc/43/72/59/721437259.db2.gz AWCNEJVSOMHNFZ-ZIAGYGMSSA-N 1 1 431.924 4.086 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164787342 721442420 /nfs/dbraw/zinc/44/24/20/721442420.db2.gz WVEUBPYTLBWXBL-RPWUZVMVSA-N 1 1 446.599 4.078 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164787640 721447936 /nfs/dbraw/zinc/44/79/36/721447936.db2.gz OXTDITHVXQSLIC-IBGZPJMESA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164789841 721458536 /nfs/dbraw/zinc/45/85/36/721458536.db2.gz XQTGDLHHEWMUDO-HXUWFJFHSA-N 1 1 445.007 4.017 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888238 721465281 /nfs/dbraw/zinc/46/52/81/721465281.db2.gz FKXUPJXDGQVQDM-RBUKOAKNSA-N 1 1 443.661 4.233 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164790643 721467875 /nfs/dbraw/zinc/46/78/75/721467875.db2.gz SZTIOEAFRFJKKI-QFIPXVFZSA-N 1 1 427.564 4.108 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793923 721475603 /nfs/dbraw/zinc/47/56/03/721475603.db2.gz ZYOOYNNHMYDQOW-HSZRJFAPSA-N 1 1 446.603 4.028 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164792125 721491845 /nfs/dbraw/zinc/49/18/45/721491845.db2.gz GTUNDZOVPVCMTO-UHFFFAOYSA-N 1 1 438.576 4.100 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164796688 721500817 /nfs/dbraw/zinc/50/08/17/721500817.db2.gz VIACNXICUVGADY-UHFFFAOYSA-N 1 1 447.961 4.440 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@H+]3C2)c1 ZINC001164903836 721531753 /nfs/dbraw/zinc/53/17/53/721531753.db2.gz DGTIDJIBRGKHEY-QUCCMNQESA-N 1 1 429.499 4.106 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164808931 721541263 /nfs/dbraw/zinc/54/12/63/721541263.db2.gz SMPISOXJTQOLAA-LSWJPFSZSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799891 721545796 /nfs/dbraw/zinc/54/57/96/721545796.db2.gz BRCDLOLOOJVEHH-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799891 721545797 /nfs/dbraw/zinc/54/57/97/721545797.db2.gz BRCDLOLOOJVEHH-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]2CCCO[C@H]21 ZINC001164804671 721555114 /nfs/dbraw/zinc/55/51/14/721555114.db2.gz LTDOLDWBQDZBQL-QWFCFKBJSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]2CCCO[C@H]21 ZINC001164804671 721555117 /nfs/dbraw/zinc/55/51/17/721555117.db2.gz LTDOLDWBQDZBQL-QWFCFKBJSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164800408 721568753 /nfs/dbraw/zinc/56/87/53/721568753.db2.gz FLJOHTJCFFVWOV-NJDAHSKKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164800408 721568755 /nfs/dbraw/zinc/56/87/55/721568755.db2.gz FLJOHTJCFFVWOV-NJDAHSKKSA-N 1 1 444.366 4.200 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805436 721576152 /nfs/dbraw/zinc/57/61/52/721576152.db2.gz NVHNCCPKOUDWKR-YDHSSHFGSA-N 1 1 449.624 4.006 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805436 721576155 /nfs/dbraw/zinc/57/61/55/721576155.db2.gz NVHNCCPKOUDWKR-YDHSSHFGSA-N 1 1 449.624 4.006 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164806290 721589469 /nfs/dbraw/zinc/58/94/69/721589469.db2.gz MUNOCBFQZKPDCG-XJUOHMSHSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164806290 721589472 /nfs/dbraw/zinc/58/94/72/721589472.db2.gz MUNOCBFQZKPDCG-XJUOHMSHSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@H]12 ZINC001164802632 721590940 /nfs/dbraw/zinc/59/09/40/721590940.db2.gz HKZUCHLLXXFUET-BOCKYXSRSA-N 1 1 444.913 4.430 20 0 IIADMO FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905357 721691848 /nfs/dbraw/zinc/69/18/48/721691848.db2.gz IRNIENGUWPBDGY-QHCPKHFHSA-N 1 1 437.494 4.402 20 0 IIADMO C[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007486 721692316 /nfs/dbraw/zinc/69/23/16/721692316.db2.gz CMJXSRMMFFZXKU-ICPLQIHGSA-N 1 1 428.964 4.263 20 0 IIADMO FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907116 721694406 /nfs/dbraw/zinc/69/44/06/721694406.db2.gz SFLKNROZKOAYMU-QHCPKHFHSA-N 1 1 437.494 4.402 20 0 IIADMO FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906244 721701887 /nfs/dbraw/zinc/70/18/87/721701887.db2.gz MPGYUOSLOWPPES-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906534 721708089 /nfs/dbraw/zinc/70/80/89/721708089.db2.gz MPAZTMFHAXRPBU-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906924 721723454 /nfs/dbraw/zinc/72/34/54/721723454.db2.gz PAFJXMOEXXKVGX-QFIPXVFZSA-N 1 1 441.551 4.313 20 0 IIADMO FC1(F)CCN(c2cc(-c3cccs3)ncn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911169 721726948 /nfs/dbraw/zinc/72/69/48/721726948.db2.gz IKHYRDUMEWUOQN-OAQYLSRUSA-N 1 1 427.524 4.338 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909822 721730174 /nfs/dbraw/zinc/73/01/74/721730174.db2.gz DUWZAPZLGHYJAJ-NRFANRHFSA-N 1 1 429.540 4.441 20 0 IIADMO FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911807 721732735 /nfs/dbraw/zinc/73/27/35/721732735.db2.gz KLFXEIUEZHIRGC-OAQYLSRUSA-N 1 1 427.524 4.338 20 0 IIADMO CSc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913842 721735034 /nfs/dbraw/zinc/73/50/34/721735034.db2.gz YVWQRXYGUSMBBF-QFIPXVFZSA-N 1 1 441.551 4.484 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)[nH]1 ZINC001164910839 721760150 /nfs/dbraw/zinc/76/01/50/721760150.db2.gz SPGNLORPMOLNNX-UHFFFAOYSA-N 1 1 436.947 4.356 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)[nH]1 ZINC001164910839 721760157 /nfs/dbraw/zinc/76/01/57/721760157.db2.gz SPGNLORPMOLNNX-UHFFFAOYSA-N 1 1 436.947 4.356 20 0 IIADMO COCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccccc2)n1 ZINC001165027321 721802548 /nfs/dbraw/zinc/80/25/48/721802548.db2.gz VLIXZNKCKKUIMZ-TUSQITKMSA-N 1 1 443.595 4.422 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165025904 721808806 /nfs/dbraw/zinc/80/88/06/721808806.db2.gz ODYNQTNVCMHZNJ-OYDLWJJNSA-N 1 1 430.552 4.153 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028973 721818000 /nfs/dbraw/zinc/81/80/00/721818000.db2.gz YIAYOUMWDYXRMN-APTRMMRNSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001165025309 721820294 /nfs/dbraw/zinc/82/02/94/721820294.db2.gz MGLAVWMUJJLESZ-FVQBIDKESA-N 1 1 439.963 4.096 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]21 ZINC001165026318 721822570 /nfs/dbraw/zinc/82/25/70/721822570.db2.gz OUISPOFZCRGSMW-QFZWGZQFSA-N 1 1 442.611 4.362 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)s1 ZINC001165027479 721828444 /nfs/dbraw/zinc/82/84/44/721828444.db2.gz SEBZAALRQMKDEM-VCOUNFBDSA-N 1 1 434.613 4.349 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1 ZINC001164925022 721840642 /nfs/dbraw/zinc/84/06/42/721840642.db2.gz ZRJFQFREFKBCOO-GGBSJPMNSA-N 1 1 436.600 4.083 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927150 721855998 /nfs/dbraw/zinc/85/59/98/721855998.db2.gz JNZGMEMPSNQWST-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927150 721856000 /nfs/dbraw/zinc/85/60/00/721856000.db2.gz JNZGMEMPSNQWST-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929254 721879053 /nfs/dbraw/zinc/87/90/53/721879053.db2.gz AWAVGJCEEBSSQJ-RTBURBONSA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929254 721879055 /nfs/dbraw/zinc/87/90/55/721879055.db2.gz AWAVGJCEEBSSQJ-RTBURBONSA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929526 721879570 /nfs/dbraw/zinc/87/95/70/721879570.db2.gz BQHDMIHJEDBOCX-DLBZAZTESA-N 1 1 439.654 4.123 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929526 721879571 /nfs/dbraw/zinc/87/95/71/721879571.db2.gz BQHDMIHJEDBOCX-DLBZAZTESA-N 1 1 439.654 4.123 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164931886 721879751 /nfs/dbraw/zinc/87/97/51/721879751.db2.gz GOTLTZJGPOHCDG-DLBZAZTESA-N 1 1 427.643 4.251 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164931886 721879753 /nfs/dbraw/zinc/87/97/53/721879753.db2.gz GOTLTZJGPOHCDG-DLBZAZTESA-N 1 1 427.643 4.251 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5[nH]c6ccccc6c54)CC3)C2)cc1 ZINC001164938895 721927429 /nfs/dbraw/zinc/92/74/29/721927429.db2.gz ADQGOUVMVSBVGG-UHFFFAOYSA-N 1 1 427.552 4.291 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1Cl ZINC001164952017 722015066 /nfs/dbraw/zinc/01/50/66/722015066.db2.gz GAIWOCSWPRFOJU-UHFFFAOYSA-N 1 1 449.382 4.453 20 0 IIADMO Clc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961164 722053412 /nfs/dbraw/zinc/05/34/12/722053412.db2.gz TVSLVKBILCDTNR-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO Clc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2ccsc2n1 ZINC001164963229 722054799 /nfs/dbraw/zinc/05/47/99/722054799.db2.gz JDOSEYSFBJPDOT-UHFFFAOYSA-N 1 1 428.989 4.464 20 0 IIADMO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963473 722058640 /nfs/dbraw/zinc/05/86/40/722058640.db2.gz ZMTVWAHRBQFUIA-UHFFFAOYSA-N 1 1 435.616 4.347 20 0 IIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985826 722101464 /nfs/dbraw/zinc/10/14/64/722101464.db2.gz XBMFDKXVGUEJHK-NVXWUHKLSA-N 1 1 443.325 4.056 20 0 IIADMO Cc1cccc(Sc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981783 722135155 /nfs/dbraw/zinc/13/51/55/722135155.db2.gz QLODRBAFNFMXIS-FYYLOGMGSA-N 1 1 447.608 4.059 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971133 722153973 /nfs/dbraw/zinc/15/39/73/722153973.db2.gz ATWXYHDTESNOJM-UNMCSNQZSA-N 1 1 442.007 4.300 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995938 722207748 /nfs/dbraw/zinc/20/77/48/722207748.db2.gz QEPMOLQBYVHOHS-FQRUVTKNSA-N 1 1 436.575 4.338 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997451 722210917 /nfs/dbraw/zinc/21/09/17/722210917.db2.gz QJYWUGKBZCYCFV-AREMUKBSSA-N 1 1 429.543 4.411 20 0 IIADMO CC(=O)N(c1nc(C[NH2+]C2(CO)Cc3ccccc3C2)cs1)c1ccc(Cl)cc1 ZINC000557799839 1126097066 /nfs/dbraw/zinc/09/70/66/1126097066.db2.gz JJBPVCVVHUSFSN-UHFFFAOYSA-N 1 1 427.957 4.101 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cs1)c1ccc(F)cc1F ZINC001560757636 1126214140 /nfs/dbraw/zinc/21/41/40/1126214140.db2.gz QREGYDUCSVWENO-GOSISDBHSA-N 1 1 431.508 4.108 20 0 IIADMO OCC[C@@H]1CC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164390655 718811678 /nfs/dbraw/zinc/81/16/78/718811678.db2.gz BLQRBULNRAOLJL-QGZVFWFLSA-N 1 1 426.630 4.155 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164423043 718929547 /nfs/dbraw/zinc/92/95/47/718929547.db2.gz DBMOEYOMKKMUDU-PVAVHDDUSA-N 1 1 448.583 4.272 20 0 IIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627932 719070362 /nfs/dbraw/zinc/07/03/62/719070362.db2.gz RLQGTJHBMUNMMU-APWZRJJASA-N 1 1 435.902 4.167 20 0 IIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627230 719078871 /nfs/dbraw/zinc/07/88/71/719078871.db2.gz PYQLMVHOEAETIY-IFMALSPDSA-N 1 1 447.583 4.079 20 0 IIADMO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1 ZINC001164627471 719103683 /nfs/dbraw/zinc/10/36/83/719103683.db2.gz KWDIGCNUYCOYAD-YKSBVNFPSA-N 1 1 430.552 4.262 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC001164650533 719295291 /nfs/dbraw/zinc/29/52/91/719295291.db2.gz IONSTFSVFBIDKI-TWZJLLKVSA-N 1 1 436.600 4.367 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164649089 719307418 /nfs/dbraw/zinc/30/74/18/719307418.db2.gz TYRKXYWRBJCDAK-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164648333 719310628 /nfs/dbraw/zinc/31/06/28/719310628.db2.gz HZJYAENTSCVJLT-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(CN(C)C)c2c1CN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164648972 719311956 /nfs/dbraw/zinc/31/19/56/719311956.db2.gz NGPPNHGJXSHQEV-UHFFFAOYSA-N 1 1 447.562 4.020 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164650955 719317499 /nfs/dbraw/zinc/31/74/99/719317499.db2.gz FFBIRBQSQQEZNG-UHFFFAOYSA-N 1 1 444.942 4.463 20 0 IIADMO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164664185 719347100 /nfs/dbraw/zinc/34/71/00/719347100.db2.gz TUJQQFJGUJXIHL-UHFFFAOYSA-N 1 1 447.974 4.258 20 0 IIADMO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164664185 719347104 /nfs/dbraw/zinc/34/71/04/719347104.db2.gz TUJQQFJGUJXIHL-UHFFFAOYSA-N 1 1 447.974 4.258 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc4ncccc24)CC3)cc1 ZINC001164673112 719504778 /nfs/dbraw/zinc/50/47/78/719504778.db2.gz OABHAZYOPYUCOU-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc4ncccc24)CC3)cc1 ZINC001164673112 719504781 /nfs/dbraw/zinc/50/47/81/719504781.db2.gz OABHAZYOPYUCOU-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(C)nc(Cl)n2)CC3)cs1 ZINC001164693757 719807237 /nfs/dbraw/zinc/80/72/37/719807237.db2.gz RAQKBPFZMJYHSZ-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(C)nc(Cl)n2)CC3)cs1 ZINC001164693757 719807238 /nfs/dbraw/zinc/80/72/38/719807238.db2.gz RAQKBPFZMJYHSZ-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695317 719888779 /nfs/dbraw/zinc/88/87/79/719888779.db2.gz NDIUNSAKQUGJDH-UHFFFAOYSA-N 1 1 429.920 4.093 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699291 719892843 /nfs/dbraw/zinc/89/28/43/719892843.db2.gz ZCKUWRDSBVLWSM-UHFFFAOYSA-N 1 1 444.988 4.225 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164711613 720094442 /nfs/dbraw/zinc/09/44/42/720094442.db2.gz RRFOVMQOYXEOSK-HSZRJFAPSA-N 1 1 446.595 4.454 20 0 IIADMO CCOc1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719535 720114856 /nfs/dbraw/zinc/11/48/56/720114856.db2.gz YRDKNZYQCJIBQQ-IBGZPJMESA-N 1 1 430.980 4.036 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164718102 720121134 /nfs/dbraw/zinc/12/11/34/720121134.db2.gz RRMCOSLZBSTEPH-HXUWFJFHSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164710528 720132056 /nfs/dbraw/zinc/13/20/56/720132056.db2.gz CBOYVCKTODRTDN-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164712201 720138564 /nfs/dbraw/zinc/13/85/64/720138564.db2.gz KWFFMNTZPZDWIW-DEOSSOPVSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164713029 720147769 /nfs/dbraw/zinc/14/77/69/720147769.db2.gz PDHNDUHLRXZPSG-NRFANRHFSA-N 1 1 449.624 4.416 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817397 720156782 /nfs/dbraw/zinc/15/67/82/720156782.db2.gz PFSVUSVUNLVYHB-KXBFYZLASA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001164820257 720167653 /nfs/dbraw/zinc/16/76/53/720167653.db2.gz ZWBFKWFDJRPTOE-DVBNTOJCSA-N 1 1 449.643 4.193 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816829 720259963 /nfs/dbraw/zinc/25/99/63/720259963.db2.gz MYHUHLAXBIYAJQ-VSKRKVRLSA-N 1 1 439.629 4.163 20 0 IIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164724713 720375490 /nfs/dbraw/zinc/37/54/90/720375490.db2.gz LCQGAAYNKUIZAR-ZEQRLZLVSA-N 1 1 434.547 4.454 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164727100 720438607 /nfs/dbraw/zinc/43/86/07/720438607.db2.gz DBEZNSIQAUOFAP-DNQXCXABSA-N 1 1 438.579 4.345 20 0 IIADMO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735677 720462285 /nfs/dbraw/zinc/46/22/85/720462285.db2.gz XLIZRUDWJISTLG-RBUKOAKNSA-N 1 1 430.537 4.108 20 0 IIADMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730213 720466207 /nfs/dbraw/zinc/46/62/07/720466207.db2.gz SVAFRMMDVUXVNU-UIOOFZCWSA-N 1 1 440.595 4.382 20 0 IIADMO O[C@@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]1Cc1ccccc1 ZINC001164835406 720492105 /nfs/dbraw/zinc/49/21/05/720492105.db2.gz XVOYXQCXTOQETK-NHCUHLMSSA-N 1 1 448.636 4.348 20 0 IIADMO O[C@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]1Cc1ccccc1 ZINC001164835408 720492358 /nfs/dbraw/zinc/49/23/58/720492358.db2.gz XVOYXQCXTOQETK-RTWAWAEBSA-N 1 1 448.636 4.348 20 0 IIADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164834382 720525835 /nfs/dbraw/zinc/52/58/35/720525835.db2.gz FTNMDXVAQHPOLA-SOLBZPMBSA-N 1 1 431.009 4.227 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835816 720552605 /nfs/dbraw/zinc/55/26/05/720552605.db2.gz HWPGYCUAMJKFMB-NWSQWKLXSA-N 1 1 433.604 4.121 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3OCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835928 720597240 /nfs/dbraw/zinc/59/72/40/720597240.db2.gz CSSQZMDAHCOGSB-KMDXXIMOSA-N 1 1 431.584 4.235 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164844187 720616021 /nfs/dbraw/zinc/61/60/21/720616021.db2.gz ZSHQOQFHGCBEDY-WRALFONMSA-N 1 1 430.600 4.335 20 0 IIADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164837265 720627838 /nfs/dbraw/zinc/62/78/38/720627838.db2.gz HVZGODCPRSFEIK-GMKZXUHWSA-N 1 1 445.615 4.209 20 0 IIADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841530 720641072 /nfs/dbraw/zinc/64/10/72/720641072.db2.gz SPZNOUGBKFWOID-MIZPHKNDSA-N 1 1 434.563 4.165 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164844230 720658248 /nfs/dbraw/zinc/65/82/48/720658248.db2.gz YUTSXIYLBJTEIC-FQEVSTJZSA-N 1 1 443.975 4.172 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164841759 720672441 /nfs/dbraw/zinc/67/24/41/720672441.db2.gz PVNUPAWRKJDHBC-LJQANCHMSA-N 1 1 426.992 4.269 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164840467 720672931 /nfs/dbraw/zinc/67/29/31/720672931.db2.gz MRBWCOWKLPSQBQ-XMMPIXPASA-N 1 1 444.579 4.316 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841250 720682511 /nfs/dbraw/zinc/68/25/11/720682511.db2.gz IPOICGXYBPDGTE-HSZRJFAPSA-N 1 1 445.563 4.281 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164841840 720690850 /nfs/dbraw/zinc/69/08/50/720690850.db2.gz JGYUBQDTILEQOJ-QFIPXVFZSA-N 1 1 437.584 4.297 20 0 IIADMO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840534 720700442 /nfs/dbraw/zinc/70/04/42/720700442.db2.gz FYYPTCUPVNULOY-LJQANCHMSA-N 1 1 436.531 4.037 20 0 IIADMO CCCN(CCC)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836996 720702464 /nfs/dbraw/zinc/70/24/64/720702464.db2.gz COGYDWJTNFRIFR-HSZRJFAPSA-N 1 1 437.632 4.363 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(N)c1)CC2 ZINC001164842384 720708482 /nfs/dbraw/zinc/70/84/82/720708482.db2.gz YYYCCNAIHUKMSY-GOSISDBHSA-N 1 1 436.934 4.122 20 0 IIADMO COc1ccc(-c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)cc1 ZINC001164838369 720714441 /nfs/dbraw/zinc/71/44/41/720714441.db2.gz IHROSEVKOBSUOL-HSZRJFAPSA-N 1 1 444.579 4.412 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842306 720715048 /nfs/dbraw/zinc/71/50/48/720715048.db2.gz YCKKNPKBUSUZOR-JOCHJYFZSA-N 1 1 445.563 4.281 20 0 IIADMO COc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(C)nc2c1 ZINC001164841638 720717515 /nfs/dbraw/zinc/71/75/15/720717515.db2.gz VFUHZURGAISNJU-NRFANRHFSA-N 1 1 432.568 4.207 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCC[C@@]12CCC(=O)N2 ZINC001164844690 720756780 /nfs/dbraw/zinc/75/67/80/720756780.db2.gz CLIIIYMSRVOFQE-KBMIEXCESA-N 1 1 449.624 4.448 20 0 IIADMO Cc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754097 720868053 /nfs/dbraw/zinc/86/80/53/720868053.db2.gz RBSLLLIGNZMSLE-OFVILXPXSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1nc2ccsc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755517 720869003 /nfs/dbraw/zinc/86/90/03/720869003.db2.gz YCYNDEWIPCTINY-PXDATVDWSA-N 1 1 449.624 4.150 20 0 IIADMO Fc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753364 720873089 /nfs/dbraw/zinc/87/30/89/720873089.db2.gz PENRHTGEVUHFQV-CVDCTZTESA-N 1 1 430.955 4.024 20 0 IIADMO Cc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754585 720879133 /nfs/dbraw/zinc/87/91/33/720879133.db2.gz SBQGTOVLJMEMGX-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748413 720879931 /nfs/dbraw/zinc/87/99/31/720879931.db2.gz DQXFMICVFNKZEP-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757461 720885022 /nfs/dbraw/zinc/88/50/22/720885022.db2.gz VBKFUVOTYSLZON-SHQCIBLASA-N 1 1 432.612 4.111 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164857726 720894776 /nfs/dbraw/zinc/89/47/76/720894776.db2.gz JFOTYRHYWYIFHV-QHCPKHFHSA-N 1 1 433.600 4.156 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752836 720897967 /nfs/dbraw/zinc/89/79/67/720897967.db2.gz GAZOLMDQDAXUCR-NVQXNPDNSA-N 1 1 431.584 4.021 20 0 IIADMO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753747 720935188 /nfs/dbraw/zinc/93/51/88/720935188.db2.gz SLYYTYWSFIQRGP-ZEQKJWHPSA-N 1 1 435.616 4.059 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@H]2C ZINC001164857978 721001838 /nfs/dbraw/zinc/00/18/38/721001838.db2.gz FLZMXCSTUHRZPQ-SFHVURJKSA-N 1 1 427.556 4.310 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164767617 721097360 /nfs/dbraw/zinc/09/73/60/721097360.db2.gz MNZJSPYKMDALAS-UXHICEINSA-N 1 1 430.581 4.050 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766680 721166646 /nfs/dbraw/zinc/16/66/46/721166646.db2.gz IZUODXFCWLNUNF-ZWKOTPCHSA-N 1 1 431.918 4.125 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766674 721167083 /nfs/dbraw/zinc/16/70/83/721167083.db2.gz IZUODXFCWLNUNF-ROUUACIJSA-N 1 1 431.918 4.125 20 0 IIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763956 721236380 /nfs/dbraw/zinc/23/63/80/721236380.db2.gz OMOSBOPJKUDCMT-HZPDHXFCSA-N 1 1 431.918 4.167 20 0 IIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767118 721282663 /nfs/dbraw/zinc/28/26/63/721282663.db2.gz GPIMHDWWAQOKDC-UHFFFAOYSA-N 1 1 430.552 4.140 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776295 721332955 /nfs/dbraw/zinc/33/29/55/721332955.db2.gz DMVDZQHGQLZTJE-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776295 721332957 /nfs/dbraw/zinc/33/29/57/721332957.db2.gz DMVDZQHGQLZTJE-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778857 721333505 /nfs/dbraw/zinc/33/35/05/721333505.db2.gz ZJCZSEASZZAMSV-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778857 721333510 /nfs/dbraw/zinc/33/35/10/721333510.db2.gz ZJCZSEASZZAMSV-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782311 721354272 /nfs/dbraw/zinc/35/42/72/721354272.db2.gz MYNRZKLDZJPAAN-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCC[N@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786137 721376901 /nfs/dbraw/zinc/37/69/01/721376901.db2.gz SRZUQGNZEQTHSE-QHCPKHFHSA-N 1 1 432.996 4.190 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786137 721376907 /nfs/dbraw/zinc/37/69/07/721376907.db2.gz SRZUQGNZEQTHSE-QHCPKHFHSA-N 1 1 432.996 4.190 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786137 721376911 /nfs/dbraw/zinc/37/69/11/721376911.db2.gz SRZUQGNZEQTHSE-QHCPKHFHSA-N 1 1 432.996 4.190 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887106 721401332 /nfs/dbraw/zinc/40/13/32/721401332.db2.gz LAGJXSQMOVMZRD-MBSDFSHPSA-N 1 1 449.426 4.307 20 0 IIADMO Clc1ccc(-c2nc3c(c(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)n2)CCC3)s1 ZINC001164786364 721432985 /nfs/dbraw/zinc/43/29/85/721432985.db2.gz OPFBDSZQXOMMKJ-KBPBESRZSA-N 1 1 444.029 4.372 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784860 721436054 /nfs/dbraw/zinc/43/60/54/721436054.db2.gz MTHWTLRLCXBPHL-KBPBESRZSA-N 1 1 431.924 4.086 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164787331 721442411 /nfs/dbraw/zinc/44/24/11/721442411.db2.gz WVEUBPYTLBWXBL-BJKOFHAPSA-N 1 1 446.599 4.078 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164786873 721452795 /nfs/dbraw/zinc/45/27/95/721452795.db2.gz OEPDSEZFEUPWEH-HXUWFJFHSA-N 1 1 444.645 4.042 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164785446 721461893 /nfs/dbraw/zinc/46/18/93/721461893.db2.gz LHENETLEGRULAX-OAQYLSRUSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164783938 721464553 /nfs/dbraw/zinc/46/45/53/721464553.db2.gz GLHRLBJZHPLAHC-GOSISDBHSA-N 1 1 442.431 4.431 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1C)CC2 ZINC001164782707 721464669 /nfs/dbraw/zinc/46/46/69/721464669.db2.gz BCACMYYSZXAFSA-SFHVURJKSA-N 1 1 442.431 4.431 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164792503 721493363 /nfs/dbraw/zinc/49/33/63/721493363.db2.gz PUZBTFYZIZPROX-UHFFFAOYSA-N 1 1 438.576 4.100 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@@H]12 ZINC001164805322 721540831 /nfs/dbraw/zinc/54/08/31/721540831.db2.gz LRCDRANNAFEDFM-SFHLNBCPSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@@H]12 ZINC001164805322 721540834 /nfs/dbraw/zinc/54/08/34/721540834.db2.gz LRCDRANNAFEDFM-SFHLNBCPSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164808933 721541920 /nfs/dbraw/zinc/54/19/20/721541920.db2.gz SMPISOXJTQOLAA-WPYKKVEZSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164798644 721566801 /nfs/dbraw/zinc/56/68/01/721566801.db2.gz BROBOJWNLZUDGY-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164798644 721566804 /nfs/dbraw/zinc/56/68/04/721566804.db2.gz BROBOJWNLZUDGY-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@H+]3C2)c1 ZINC001164909188 721567112 /nfs/dbraw/zinc/56/71/12/721567112.db2.gz SPRNLYPONPKNLL-PKOBYXMFSA-N 1 1 437.893 4.336 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@H+]3C2)c1 ZINC001164908030 721567171 /nfs/dbraw/zinc/56/71/71/721567171.db2.gz PGXFYVMDMLLISZ-MJGOQNOKSA-N 1 1 437.893 4.336 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164800406 721568824 /nfs/dbraw/zinc/56/88/24/721568824.db2.gz FLJOHTJCFFVWOV-HBMCJLEFSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164800406 721568826 /nfs/dbraw/zinc/56/88/26/721568826.db2.gz FLJOHTJCFFVWOV-HBMCJLEFSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@H]2CCCO[C@H]12 ZINC001164806044 721572741 /nfs/dbraw/zinc/57/27/41/721572741.db2.gz PEXRAFRHOWRTOG-VWPQPMDRSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@H]2CCCO[C@H]12 ZINC001164806044 721572748 /nfs/dbraw/zinc/57/27/48/721572748.db2.gz PEXRAFRHOWRTOG-VWPQPMDRSA-N 1 1 448.958 4.028 20 0 IIADMO FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906311 721584167 /nfs/dbraw/zinc/58/41/67/721584167.db2.gz ZXLGWHOWMNPBKW-GOSISDBHSA-N 1 1 428.861 4.413 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806160 721587224 /nfs/dbraw/zinc/58/72/24/721587224.db2.gz MCNYPMHCESGMAB-AKFKNWHVSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806160 721587225 /nfs/dbraw/zinc/58/72/25/721587225.db2.gz MCNYPMHCESGMAB-AKFKNWHVSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164811304 721587805 /nfs/dbraw/zinc/58/78/05/721587805.db2.gz XFPJRMQJIABWEB-BHDDXSALSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]21 ZINC001164800053 721590827 /nfs/dbraw/zinc/59/08/27/721590827.db2.gz BKTUCLNFQZKZQS-DBXWQHBBSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]21 ZINC001164800053 721590829 /nfs/dbraw/zinc/59/08/29/721590829.db2.gz BKTUCLNFQZKZQS-DBXWQHBBSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164800866 721591769 /nfs/dbraw/zinc/59/17/69/721591769.db2.gz CVVIPGSOGYOQEW-VWPQPMDRSA-N 1 1 448.945 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164800866 721591772 /nfs/dbraw/zinc/59/17/72/721591772.db2.gz CVVIPGSOGYOQEW-VWPQPMDRSA-N 1 1 448.945 4.032 20 0 IIADMO FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904070 721693190 /nfs/dbraw/zinc/69/31/90/721693190.db2.gz CVDKPUABICLWDF-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907050 721699350 /nfs/dbraw/zinc/69/93/50/721699350.db2.gz QNBQANWTJGAEJT-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905568 721713238 /nfs/dbraw/zinc/71/32/38/721713238.db2.gz HPOAQSSOMIJTOS-NRFANRHFSA-N 1 1 427.524 4.338 20 0 IIADMO Fc1ccc(-c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910556 721727369 /nfs/dbraw/zinc/72/73/69/721727369.db2.gz FXVVFJXWIGZIMU-QHCPKHFHSA-N 1 1 439.485 4.415 20 0 IIADMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913784 721729659 /nfs/dbraw/zinc/72/96/59/721729659.db2.gz XRXWKIQZXCOQHJ-JOCHJYFZSA-N 1 1 425.483 4.178 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(Oc3ccccc3)n1)C2 ZINC001164909425 721749854 /nfs/dbraw/zinc/74/98/54/721749854.db2.gz SJIOEAFEIIHXKE-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(Oc3ccccc3)n1)C2 ZINC001164909425 721749864 /nfs/dbraw/zinc/74/98/64/721749864.db2.gz SJIOEAFEIIHXKE-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO CCOC(=O)c1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164911759 721759324 /nfs/dbraw/zinc/75/93/24/721759324.db2.gz YSNUTCPSGBQSIW-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO CCOC(=O)c1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164911759 721759329 /nfs/dbraw/zinc/75/93/29/721759329.db2.gz YSNUTCPSGBQSIW-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO COC(=O)c1cccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc21 ZINC001164910813 721763957 /nfs/dbraw/zinc/76/39/57/721763957.db2.gz LINJMFSLFVMCHH-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COC(=O)c1cccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc21 ZINC001164910813 721763959 /nfs/dbraw/zinc/76/39/59/721763959.db2.gz LINJMFSLFVMCHH-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026614 721799074 /nfs/dbraw/zinc/79/90/74/721799074.db2.gz ROFTUYUCCGHDDD-BUKVSMQUSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@H]21 ZINC001165020309 721805902 /nfs/dbraw/zinc/80/59/02/721805902.db2.gz FDEPDAOCGKDFBR-FRFSOERESA-N 1 1 442.341 4.460 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025860 721811533 /nfs/dbraw/zinc/81/15/33/721811533.db2.gz NZBWMGKAFSTSAS-PWIZWCRZSA-N 1 1 437.975 4.424 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021667 721815280 /nfs/dbraw/zinc/81/52/80/721815280.db2.gz FXBCECOXXZQING-DZFGPLHGSA-N 1 1 442.991 4.352 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165024225 721815772 /nfs/dbraw/zinc/81/57/72/721815772.db2.gz JZHZQLZFGWOAIM-JQHSSLGASA-N 1 1 436.934 4.420 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]21 ZINC001165025307 721820236 /nfs/dbraw/zinc/82/02/36/721820236.db2.gz MGLAVWMUJJLESZ-CWRNSKLLSA-N 1 1 439.963 4.096 20 0 IIADMO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165026121 721825488 /nfs/dbraw/zinc/82/54/88/721825488.db2.gz OFEQIUFAMBTSAY-BPUDTRNYSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]21 ZINC001165024432 721825765 /nfs/dbraw/zinc/82/57/65/721825765.db2.gz JVQAVYVCBJFCPQ-QILLFSRXSA-N 1 1 446.933 4.288 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028381 721827418 /nfs/dbraw/zinc/82/74/18/721827418.db2.gz VRLXYVZYFOKASP-FJIJXJHWSA-N 1 1 428.584 4.287 20 0 IIADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165043122 721920900 /nfs/dbraw/zinc/92/09/00/721920900.db2.gz HJLQDFLTQYACNQ-FQEVSTJZSA-N 1 1 437.918 4.160 20 0 IIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165043592 721921917 /nfs/dbraw/zinc/92/19/17/721921917.db2.gz MQVHSRUFSBILQM-SFHVURJKSA-N 1 1 425.882 4.387 20 0 IIADMO [O-][n+]1ccc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1Cl ZINC001165044140 721940145 /nfs/dbraw/zinc/94/01/45/721940145.db2.gz KCVGUESQBXUPBY-UHFFFAOYSA-N 1 1 425.266 4.047 20 0 IIADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164948336 721966625 /nfs/dbraw/zinc/96/66/25/721966625.db2.gz TZLFQSTVIOTERJ-WIOPSUGQSA-N 1 1 439.003 4.100 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946810 721976925 /nfs/dbraw/zinc/97/69/25/721976925.db2.gz LBXLKOZRUKATKM-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946810 721976927 /nfs/dbraw/zinc/97/69/27/721976927.db2.gz LBXLKOZRUKATKM-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO COc1ccc(OC)c(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164959849 722022746 /nfs/dbraw/zinc/02/27/46/722022746.db2.gz JAYPZFOJPBYYPY-UHFFFAOYSA-N 1 1 445.567 4.048 20 0 IIADMO Cc1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1C ZINC001164964861 722055807 /nfs/dbraw/zinc/05/58/07/722055807.db2.gz YSILHFMSKBYOSI-UHFFFAOYSA-N 1 1 437.613 4.131 20 0 IIADMO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962262 722056325 /nfs/dbraw/zinc/05/63/25/722056325.db2.gz CATSKYZNEOKDQQ-UHFFFAOYSA-N 1 1 436.934 4.102 20 0 IIADMO Clc1cccc(-c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)c1 ZINC001164962603 722060175 /nfs/dbraw/zinc/06/01/75/722060175.db2.gz UTVZTURYCXKGFG-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO Clc1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975003 722110153 /nfs/dbraw/zinc/11/01/53/722110153.db2.gz JFBDYWWBKRNOLN-JXFKEZNVSA-N 1 1 444.366 4.059 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984191 722130744 /nfs/dbraw/zinc/13/07/44/722130744.db2.gz WIFYVBWNFUHEJU-AVRDEDQJSA-N 1 1 438.959 4.019 20 0 IIADMO CC(C)(C)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978059 722138861 /nfs/dbraw/zinc/13/88/61/722138861.db2.gz JLUOJQWYQAMCEW-LEWJYISDSA-N 1 1 437.632 4.194 20 0 IIADMO Clc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979592 722150391 /nfs/dbraw/zinc/15/03/91/722150391.db2.gz LKSHWVQVKWUBKZ-OXQOHEQNSA-N 1 1 444.366 4.059 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972231 722153543 /nfs/dbraw/zinc/15/35/43/722153543.db2.gz HKYFBYDGARBSAI-PWIZWCRZSA-N 1 1 429.996 4.074 20 0 IIADMO Fc1ccc(F)c2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975321 722156930 /nfs/dbraw/zinc/15/69/30/722156930.db2.gz SHSCPZJOKWWIDQ-OXQOHEQNSA-N 1 1 444.913 4.289 20 0 IIADMO Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972745 722157237 /nfs/dbraw/zinc/15/72/37/722157237.db2.gz JKQATRCQNKMTEL-LPHOPBHVSA-N 1 1 444.366 4.059 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999081 722227428 /nfs/dbraw/zinc/22/74/28/722227428.db2.gz IBJRBWAIVWSRAV-FCHUYYIVSA-N 1 1 438.620 4.233 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165001717 722248311 /nfs/dbraw/zinc/24/83/11/722248311.db2.gz UBXINQXSMWBSBU-NRFANRHFSA-N 1 1 446.555 4.217 20 0 IIADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@H](CO)Cc3ccc(C)c(C)c3)cs2)cc1 ZINC001462314554 1126197620 /nfs/dbraw/zinc/19/76/20/1126197620.db2.gz UHTOCQMZOLJLGA-FQEVSTJZSA-N 1 1 439.581 4.146 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cs1)c1cccc(Cl)c1 ZINC001621255895 1126246173 /nfs/dbraw/zinc/24/61/73/1126246173.db2.gz WJVSSWKYUAEKCF-IBGZPJMESA-N 1 1 429.973 4.483 20 0 IIADMO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000048285645 569588110 /nfs/dbraw/zinc/58/81/10/569588110.db2.gz XAMRXACHKMHXSP-UHFFFAOYSA-N 1 1 448.611 4.263 20 0 IIADMO COC(=O)[C@@]1(C)CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164392170 718805308 /nfs/dbraw/zinc/80/53/08/718805308.db2.gz YWTKPPHCXOCJGF-HSZRJFAPSA-N 1 1 428.602 4.088 20 0 IIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@]5(CCOC5)C4)c23)C1 ZINC001164392119 718807759 /nfs/dbraw/zinc/80/77/59/718807759.db2.gz YDPAWZMDKACICC-XDHUDOTRSA-N 1 1 426.630 4.419 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5COC[C@H]5C4)c23)C1 ZINC001164387824 718819188 /nfs/dbraw/zinc/81/91/88/718819188.db2.gz IXISRKAUFWOCJA-KZNAEPCWSA-N 1 1 426.630 4.275 20 0 IIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC5(C4)CCCOC5)c23)C1 ZINC001164413420 718882992 /nfs/dbraw/zinc/88/29/92/718882992.db2.gz HSPTYICNISKRIN-KRWDZBQOSA-N 1 1 426.630 4.419 20 0 IIADMO O=C(c1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCCC1 ZINC001164629073 719064871 /nfs/dbraw/zinc/06/48/71/719064871.db2.gz VJEJHWKAPLABLB-IFMALSPDSA-N 1 1 439.003 4.462 20 0 IIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627234 719079003 /nfs/dbraw/zinc/07/90/03/719079003.db2.gz PYQLMVHOEAETIY-RBBKRZOGSA-N 1 1 447.583 4.079 20 0 IIADMO O=C(c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630515 719099757 /nfs/dbraw/zinc/09/97/57/719099757.db2.gz WTZCIHIBTHLVQG-NFBKMPQASA-N 1 1 439.003 4.462 20 0 IIADMO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1 ZINC001164627467 719103370 /nfs/dbraw/zinc/10/33/70/719103370.db2.gz KWDIGCNUYCOYAD-HYBUGGRVSA-N 1 1 430.552 4.262 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)CC2 ZINC001164684526 719719195 /nfs/dbraw/zinc/71/91/95/719719195.db2.gz HQABTGNCZGFMLF-UHFFFAOYSA-N 1 1 449.986 4.131 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(-c3ccccc3)c3ccc(OC)cc3n1)CC2 ZINC001164689408 719739425 /nfs/dbraw/zinc/73/94/25/719739425.db2.gz FPKCRBXVFJZODQ-UHFFFAOYSA-N 1 1 444.579 4.091 20 0 IIADMO CCOC(=O)c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1Cl ZINC001164691033 719804518 /nfs/dbraw/zinc/80/45/18/719804518.db2.gz DEFZETPXOQCQEQ-UHFFFAOYSA-N 1 1 434.993 4.312 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2N)CC3)cs1 ZINC001164693112 719809065 /nfs/dbraw/zinc/80/90/65/719809065.db2.gz QIKZQDDIBTWBBU-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2N)CC3)cs1 ZINC001164693112 719809067 /nfs/dbraw/zinc/80/90/67/719809067.db2.gz QIKZQDDIBTWBBU-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(-c4ccccc4)nc(N(C)C)n2)CC3)cs1 ZINC001164694525 719810614 /nfs/dbraw/zinc/81/06/14/719810614.db2.gz ZNNUVMFTJVJXDZ-UHFFFAOYSA-N 1 1 449.628 4.005 20 0 IIADMO CCOC(=O)/C=C\c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692642 719811280 /nfs/dbraw/zinc/81/12/80/719811280.db2.gz QGJYFIXENOPEAC-VURMDHGXSA-N 1 1 426.586 4.058 20 0 IIADMO Fc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694578 719891511 /nfs/dbraw/zinc/89/15/11/719891511.db2.gz AFCVDWLUTSJTRO-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO Fc1cc2ncnc(Cl)c2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164696275 719897108 /nfs/dbraw/zinc/89/71/08/719897108.db2.gz FJZKWJLTSCFFLJ-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707516 719899417 /nfs/dbraw/zinc/89/94/17/719899417.db2.gz SKYSJFANYMZUGU-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707516 719899419 /nfs/dbraw/zinc/89/94/19/719899419.db2.gz SKYSJFANYMZUGU-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO COc1cc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc2c(OC)c1 ZINC001164706269 719903300 /nfs/dbraw/zinc/90/33/00/719903300.db2.gz GOOAWOMJKUIRJZ-UHFFFAOYSA-N 1 1 439.581 4.185 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805915 720090255 /nfs/dbraw/zinc/09/02/55/720090255.db2.gz APZNGFKXVAVDEL-KUHUBIRLSA-N 1 1 442.963 4.074 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164712112 720094992 /nfs/dbraw/zinc/09/49/92/720094992.db2.gz VOMAZAXPSSWGGT-SFHVURJKSA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164711680 720095090 /nfs/dbraw/zinc/09/50/90/720095090.db2.gz SKAVBBIXCBKWBP-SFHVURJKSA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812217 720100414 /nfs/dbraw/zinc/10/04/14/720100414.db2.gz PYCGODOMVZSTEE-DYESRHJHSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164711533 720103952 /nfs/dbraw/zinc/10/39/52/720103952.db2.gz QKPWXQSBKPKJTD-SFHVURJKSA-N 1 1 425.964 4.119 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164718101 720121571 /nfs/dbraw/zinc/12/15/71/720121571.db2.gz RRMCOSLZBSTEPH-FQEVSTJZSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811592 720137298 /nfs/dbraw/zinc/13/72/98/720137298.db2.gz MRMSQJYUKKSEDQ-KKSFZXQISA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164712164 720152991 /nfs/dbraw/zinc/15/29/91/720152991.db2.gz KQEYHXFMUIEFEJ-FQEVSTJZSA-N 1 1 444.023 4.464 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813481 720197662 /nfs/dbraw/zinc/19/76/62/720197662.db2.gz QAGVLRSPCZFWIY-SBUREZEXSA-N 1 1 446.954 4.246 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164727105 720437388 /nfs/dbraw/zinc/43/73/88/720437388.db2.gz DBEZNSIQAUOFAP-RPWUZVMVSA-N 1 1 438.579 4.345 20 0 IIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729625 720478869 /nfs/dbraw/zinc/47/88/69/720478869.db2.gz SAIAXVPHNQNLFP-WOJBJXKFSA-N 1 1 437.931 4.179 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]21 ZINC001164834560 720532908 /nfs/dbraw/zinc/53/29/08/720532908.db2.gz DUSSLJNEDMRFPO-AVYPCKFXSA-N 1 1 446.933 4.136 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839628 720542390 /nfs/dbraw/zinc/54/23/90/720542390.db2.gz QWPFUXIAYLBMLL-NPPFBWRTSA-N 1 1 439.991 4.471 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164833709 720571766 /nfs/dbraw/zinc/57/17/66/720571766.db2.gz BERXCBYORHOMEK-WOIUINJBSA-N 1 1 439.991 4.471 20 0 IIADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843605 720600432 /nfs/dbraw/zinc/60/04/32/720600432.db2.gz YPDQDNFPPWPKPB-GBESFXJTSA-N 1 1 431.028 4.310 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]21 ZINC001164840253 720619597 /nfs/dbraw/zinc/61/95/97/720619597.db2.gz PKTHKZPEWFAENY-ZWOKBUDYSA-N 1 1 426.515 4.142 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836307 720624940 /nfs/dbraw/zinc/62/49/40/720624940.db2.gz FSJDLUSKVCZZTL-RJGXRXQPSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164838250 720651711 /nfs/dbraw/zinc/65/17/11/720651711.db2.gz GTVHDABGUAEXJG-WWMYMODYSA-N 1 1 449.977 4.343 20 0 IIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164840564 720678502 /nfs/dbraw/zinc/67/85/02/720678502.db2.gz GPLBZMQHALJQHI-GOSISDBHSA-N 1 1 425.964 4.180 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164842691 720679459 /nfs/dbraw/zinc/67/94/59/720679459.db2.gz MQQUIYSNBGLGFH-SFHVURJKSA-N 1 1 442.991 4.155 20 0 IIADMO COc1ccccc1-c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164836431 720713735 /nfs/dbraw/zinc/71/37/35/720713735.db2.gz AIGMTEVBBOQMCJ-JOCHJYFZSA-N 1 1 444.579 4.412 20 0 IIADMO CSc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840881 720728021 /nfs/dbraw/zinc/72/80/21/720728021.db2.gz RGSJOARPKQYEDY-SFHVURJKSA-N 1 1 430.643 4.180 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164845094 720774703 /nfs/dbraw/zinc/77/47/03/720774703.db2.gz DNYUJWPNUQUIBQ-FSSWDIPSSA-N 1 1 442.991 4.069 20 0 IIADMO COC[C@@]12CCC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846686 720791655 /nfs/dbraw/zinc/79/16/55/720791655.db2.gz KEDQSNMROBAJPY-OSPHWJPCSA-N 1 1 426.630 4.419 20 0 IIADMO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1C ZINC001164745780 720849597 /nfs/dbraw/zinc/84/95/97/720849597.db2.gz NJWZEDAMRODZLE-WMTXJRDZSA-N 1 1 430.600 4.131 20 0 IIADMO Cc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755515 720868888 /nfs/dbraw/zinc/86/88/88/720868888.db2.gz YCYNDEWIPCTINY-BWKNWUBXSA-N 1 1 449.624 4.150 20 0 IIADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164852999 720875467 /nfs/dbraw/zinc/87/54/67/720875467.db2.gz BCCVSGHIIYSQFQ-LVXARBLLSA-N 1 1 447.579 4.084 20 0 IIADMO Cc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753993 720878675 /nfs/dbraw/zinc/87/86/75/720878675.db2.gz QQGCZDVBTJGRKV-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755092 720886040 /nfs/dbraw/zinc/88/60/40/720886040.db2.gz KQCSTJGOIUOLBP-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755988 720892529 /nfs/dbraw/zinc/89/25/29/720892529.db2.gz NXQKZYPXEMXCSW-SQHAQQRYSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164755982 720892539 /nfs/dbraw/zinc/89/25/39/720892539.db2.gz NXQKZYPXEMXCSW-IGKIAQTJSA-N 1 1 443.595 4.088 20 0 IIADMO CSc1nc(Cl)cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863938 720926448 /nfs/dbraw/zinc/92/64/48/720926448.db2.gz ZWVBKJOJURGVJK-GFCCVEGCSA-N 1 1 430.956 4.015 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1Cl ZINC001164856183 720940600 /nfs/dbraw/zinc/94/06/00/720940600.db2.gz CEHNPTFTWROCAA-ZDUSSCGKSA-N 1 1 440.375 4.183 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@H]2C ZINC001164863504 720974405 /nfs/dbraw/zinc/97/44/05/720974405.db2.gz VVPRCEXVEWLRMY-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@@H]2C ZINC001164860610 720978560 /nfs/dbraw/zinc/97/85/60/720978560.db2.gz PEEXGUKODGBFMT-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO COc1ccc(Oc2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc(C)n2)cc1 ZINC001164857331 721015057 /nfs/dbraw/zinc/01/50/57/721015057.db2.gz DCLXTVYSPGXMMT-QGZVFWFLSA-N 1 1 436.560 4.204 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771188 721055882 /nfs/dbraw/zinc/05/58/82/721055882.db2.gz LXARDIPFBUQSDI-SMIHKQSGSA-N 1 1 433.600 4.102 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767622 721097638 /nfs/dbraw/zinc/09/76/38/721097638.db2.gz MNZJSPYKMDALAS-VQTJNVASSA-N 1 1 430.581 4.050 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762964 721097683 /nfs/dbraw/zinc/09/76/83/721097683.db2.gz FPFAQDDWHCMJQT-SJORKVTESA-N 1 1 436.610 4.112 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762945 721097755 /nfs/dbraw/zinc/09/77/55/721097755.db2.gz FPFAQDDWHCMJQT-DLBZAZTESA-N 1 1 436.610 4.112 20 0 IIADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879455 721167744 /nfs/dbraw/zinc/16/77/44/721167744.db2.gz SGNQNCCRFZUMHW-WOJBJXKFSA-N 1 1 444.913 4.308 20 0 IIADMO Clc1ccc2ccc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880447 721180153 /nfs/dbraw/zinc/18/01/53/721180153.db2.gz WRWJLQXFKQCNCA-QZTJIDSGSA-N 1 1 429.351 4.416 20 0 IIADMO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164773897 721191967 /nfs/dbraw/zinc/19/19/67/721191967.db2.gz XXYATHIGIWJLAV-XZOQPEGZSA-N 1 1 438.579 4.297 20 0 IIADMO Cc1ccc(-c2nnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164773894 721192555 /nfs/dbraw/zinc/19/25/55/721192555.db2.gz XXYATHIGIWJLAV-DHIUTWEWSA-N 1 1 438.579 4.297 20 0 IIADMO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164773895 721193110 /nfs/dbraw/zinc/19/31/10/721193110.db2.gz XXYATHIGIWJLAV-GOTSBHOMSA-N 1 1 438.579 4.297 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772367 721204085 /nfs/dbraw/zinc/20/40/85/721204085.db2.gz TVVTVAGKOSTONY-ICSRJNTNSA-N 1 1 430.581 4.050 20 0 IIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763954 721237516 /nfs/dbraw/zinc/23/75/16/721237516.db2.gz OMOSBOPJKUDCMT-CVEARBPZSA-N 1 1 431.918 4.167 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760721 721248544 /nfs/dbraw/zinc/24/85/44/721248544.db2.gz GHZKTCHNSIYOFA-SJORKVTESA-N 1 1 447.917 4.232 20 0 IIADMO CCN1CC[C@]2(CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C)C1=O ZINC001164779014 721322135 /nfs/dbraw/zinc/32/21/35/721322135.db2.gz TVXXNQZTPJUTJA-CRICUBBOSA-N 1 1 449.624 4.115 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779103 721345087 /nfs/dbraw/zinc/34/50/87/721345087.db2.gz QXRUVKXYZJQFMD-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779103 721345089 /nfs/dbraw/zinc/34/50/89/721345089.db2.gz QXRUVKXYZJQFMD-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788912 721425835 /nfs/dbraw/zinc/42/58/35/721425835.db2.gz UEZIJRBNPAJGMG-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788912 721425837 /nfs/dbraw/zinc/42/58/37/721425837.db2.gz UEZIJRBNPAJGMG-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C2)n1)CCCCC3 ZINC001164789688 721427470 /nfs/dbraw/zinc/42/74/70/721427470.db2.gz WIWLREYPGXBLKZ-HZPDHXFCSA-N 1 1 425.627 4.293 20 0 IIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164782542 721436392 /nfs/dbraw/zinc/43/63/92/721436392.db2.gz GLYPMZFHDLPYRJ-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164782542 721436393 /nfs/dbraw/zinc/43/63/93/721436393.db2.gz GLYPMZFHDLPYRJ-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164789365 721458799 /nfs/dbraw/zinc/45/87/99/721458799.db2.gz XJIOQYPYKLLUAI-KRWDZBQOSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164784889 721460780 /nfs/dbraw/zinc/46/07/80/721460780.db2.gz KOPHZCHEZXFQSD-FQEVSTJZSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164784893 721460953 /nfs/dbraw/zinc/46/09/53/721460953.db2.gz KOPHZCHEZXFQSD-HXUWFJFHSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164784965 721462384 /nfs/dbraw/zinc/46/23/84/721462384.db2.gz LAZKBEXLLZGUBL-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO CCOC(=O)c1cc2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2[nH]1 ZINC001164791545 721493883 /nfs/dbraw/zinc/49/38/83/721493883.db2.gz DEUFZCDHZGDOGB-UHFFFAOYSA-N 1 1 433.556 4.016 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164792292 721497199 /nfs/dbraw/zinc/49/71/99/721497199.db2.gz NEJIWXRPIJFQAD-UHFFFAOYSA-N 1 1 429.568 4.332 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164898043 721507397 /nfs/dbraw/zinc/50/73/97/721507397.db2.gz HNZDMSLOZPFKIM-HSZRJFAPSA-N 1 1 433.600 4.185 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@H+]3C2)c1 ZINC001164899752 721514651 /nfs/dbraw/zinc/51/46/51/721514651.db2.gz MIGLCSNNVRISQJ-NVXWUHKLSA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164900810 721518615 /nfs/dbraw/zinc/51/86/15/721518615.db2.gz UXVMQEMOBGIORU-SJLPKXTDSA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@H+]3C2)c1 ZINC001164908144 721528426 /nfs/dbraw/zinc/52/84/26/721528426.db2.gz PCNBLLASWALOSG-HIFRSBDPSA-N 1 1 434.849 4.042 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@H+]3C2)c1 ZINC001164908146 721528661 /nfs/dbraw/zinc/52/86/61/721528661.db2.gz PCNBLLASWALOSG-UKRRQHHQSA-N 1 1 434.849 4.042 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808380 721528863 /nfs/dbraw/zinc/52/88/63/721528863.db2.gz RUCHUVOTSZVZEW-RCCFBDPRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808380 721528866 /nfs/dbraw/zinc/52/88/66/721528866.db2.gz RUCHUVOTSZVZEW-RCCFBDPRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802559 721532134 /nfs/dbraw/zinc/53/21/34/721532134.db2.gz HAFXZUXRZBZJCO-KURKYZTESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802559 721532139 /nfs/dbraw/zinc/53/21/39/721532139.db2.gz HAFXZUXRZBZJCO-KURKYZTESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164799889 721546165 /nfs/dbraw/zinc/54/61/65/721546165.db2.gz BRCDLOLOOJVEHH-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164799889 721546169 /nfs/dbraw/zinc/54/61/69/721546169.db2.gz BRCDLOLOOJVEHH-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904094 721552599 /nfs/dbraw/zinc/55/25/99/721552599.db2.gz CZWHDAPMNCZAIR-IFMALSPDSA-N 1 1 441.510 4.173 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904637 721553728 /nfs/dbraw/zinc/55/37/28/721553728.db2.gz DZOTXWXLIGDYRS-PZJWPPBQSA-N 1 1 441.510 4.173 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164808028 721556040 /nfs/dbraw/zinc/55/60/40/721556040.db2.gz UMGSWTJZWNQKGT-BDTNDASRSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164808028 721556043 /nfs/dbraw/zinc/55/60/43/721556043.db2.gz UMGSWTJZWNQKGT-BDTNDASRSA-N 1 1 435.959 4.060 20 0 IIADMO CN(C)C(=O)[C@@H]1CC12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164902298 721570635 /nfs/dbraw/zinc/57/06/35/721570635.db2.gz JMOWNKMAESRYLH-IBGZPJMESA-N 1 1 449.624 4.115 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@@H]12 ZINC001164806041 721573207 /nfs/dbraw/zinc/57/32/07/721573207.db2.gz PEXRAFRHOWRTOG-KCZVDYSFSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@@H]12 ZINC001164806041 721573209 /nfs/dbraw/zinc/57/32/09/721573209.db2.gz PEXRAFRHOWRTOG-KCZVDYSFSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@@H]2CCCO[C@H]21 ZINC001164808320 721581357 /nfs/dbraw/zinc/58/13/57/721581357.db2.gz QKVHCWPOONYGRU-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@@H]2CCCO[C@H]21 ZINC001164808320 721581359 /nfs/dbraw/zinc/58/13/59/721581359.db2.gz QKVHCWPOONYGRU-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907408 721584850 /nfs/dbraw/zinc/58/48/50/721584850.db2.gz SHXOPGVWMKPBLE-GOSISDBHSA-N 1 1 443.876 4.116 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@H]12 ZINC001164808337 721589616 /nfs/dbraw/zinc/58/96/16/721589616.db2.gz QSSNSKSGXPBQPB-NOXFTYBFSA-N 1 1 426.923 4.291 20 0 IIADMO C[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007484 721692531 /nfs/dbraw/zinc/69/25/31/721692531.db2.gz CMJXSRMMFFZXKU-BVZALQNUSA-N 1 1 428.964 4.263 20 0 IIADMO FC(F)(Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907985 721695574 /nfs/dbraw/zinc/69/55/74/721695574.db2.gz XTBMUABUVABGOA-GOSISDBHSA-N 1 1 444.860 4.292 20 0 IIADMO FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907374 721707758 /nfs/dbraw/zinc/70/77/58/721707758.db2.gz RELLBJRDPIDPPA-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCCN(CCC)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904782 721716042 /nfs/dbraw/zinc/71/60/42/721716042.db2.gz DCKKKHHPKDPSHN-QHCPKHFHSA-N 1 1 444.574 4.236 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC001165008245 721726376 /nfs/dbraw/zinc/72/63/76/721726376.db2.gz LIHVANOEIJQAAM-DEOSSOPVSA-N 1 1 443.661 4.377 20 0 IIADMO CCc1nc2sccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912852 721731088 /nfs/dbraw/zinc/73/10/88/721731088.db2.gz QOZBHMPKTRSICI-NRFANRHFSA-N 1 1 429.540 4.386 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915939 721803282 /nfs/dbraw/zinc/80/32/82/721803282.db2.gz MOEQYZZQXVBCBY-NZQKXSOJSA-N 1 1 442.558 4.161 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001165025399 721808023 /nfs/dbraw/zinc/80/80/23/721808023.db2.gz NXXTULQXWLMTSR-SESVDKBCSA-N 1 1 434.975 4.324 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165025906 721808855 /nfs/dbraw/zinc/80/88/55/721808855.db2.gz ODYNQTNVCMHZNJ-TUACAJSNSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@H]21 ZINC001165025266 721819815 /nfs/dbraw/zinc/81/98/15/721819815.db2.gz MBVWMVRKGQMMOT-GMKZXUHWSA-N 1 1 429.568 4.188 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1)C1CC1 ZINC001165018868 721822527 /nfs/dbraw/zinc/82/25/27/721822527.db2.gz AOLZKMFUBHKVNH-CGBRIMPHSA-N 1 1 448.611 4.270 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2)n1 ZINC001165027509 721827671 /nfs/dbraw/zinc/82/76/71/721827671.db2.gz SMKDVOSMTYMRNV-ILWGZMRPSA-N 1 1 432.572 4.387 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]21 ZINC001165024015 721828897 /nfs/dbraw/zinc/82/88/97/721828897.db2.gz JHICGENIYLMUQL-ILWGZMRPSA-N 1 1 430.556 4.141 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@H]21 ZINC001165021520 721832233 /nfs/dbraw/zinc/83/22/33/721832233.db2.gz FYNKWQPMUOLIBY-CDHQVMDDSA-N 1 1 437.638 4.062 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927409 721868405 /nfs/dbraw/zinc/86/84/05/721868405.db2.gz UYNUOOGLRWCQDK-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927409 721868407 /nfs/dbraw/zinc/86/84/07/721868407.db2.gz UYNUOOGLRWCQDK-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939308 721924954 /nfs/dbraw/zinc/92/49/54/721924954.db2.gz HRWGCDPFEWYQQU-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940589 721929234 /nfs/dbraw/zinc/92/92/34/721929234.db2.gz UOJIBWGFVWGYGV-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)C2)cc1 ZINC001164938595 721931873 /nfs/dbraw/zinc/93/18/73/721931873.db2.gz ABEJDWQTZTWOAT-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO CCN(CCC(N)=O)c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165047805 721984282 /nfs/dbraw/zinc/98/42/82/721984282.db2.gz QSNHFRMTNPVHRA-UHFFFAOYSA-N 1 1 429.615 4.107 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)nc1 ZINC001164958303 722029998 /nfs/dbraw/zinc/02/99/98/722029998.db2.gz OMMSBJQSOHGPEU-SVPADUAOSA-N 1 1 440.563 4.368 20 0 IIADMO c1cn(C2CCCC2)c2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963210 722056680 /nfs/dbraw/zinc/05/66/80/722056680.db2.gz IOUCLQMAYGHNQQ-UHFFFAOYSA-N 1 1 446.599 4.060 20 0 IIADMO c1ccc(COc2cccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962203 722058141 /nfs/dbraw/zinc/05/81/41/722058141.db2.gz PQHFFAVBWIYIBV-UHFFFAOYSA-N 1 1 444.579 4.175 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164962400 722060247 /nfs/dbraw/zinc/06/02/47/722060247.db2.gz RNSRYKBAYQPZIY-UHFFFAOYSA-N 1 1 443.595 4.274 20 0 IIADMO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl ZINC001164967861 722076613 /nfs/dbraw/zinc/07/66/13/722076613.db2.gz LHFDVSYHXUNFJE-CALCHBBNSA-N 1 1 437.893 4.385 20 0 IIADMO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl ZINC001164967861 722076615 /nfs/dbraw/zinc/07/66/15/722076615.db2.gz LHFDVSYHXUNFJE-CALCHBBNSA-N 1 1 437.893 4.385 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164985204 722098187 /nfs/dbraw/zinc/09/81/87/722098187.db2.gz VKWZYPIUUSGVGP-VWBWNGLSSA-N 1 1 433.600 4.174 20 0 IIADMO COc1cccc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981570 722099657 /nfs/dbraw/zinc/09/96/57/722099657.db2.gz LSSRHDXTSINODO-PGRDOPGGSA-N 1 1 438.959 4.019 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164981571 722099825 /nfs/dbraw/zinc/09/98/25/722099825.db2.gz LSSRHDXTSINODO-XMSQKQJNSA-N 1 1 438.959 4.019 20 0 IIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985823 722101734 /nfs/dbraw/zinc/10/17/34/722101734.db2.gz XBMFDKXVGUEJHK-DOTOQJQBSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982078 722102091 /nfs/dbraw/zinc/10/20/91/722102091.db2.gz MRJWDFXTRVXWAJ-WBVHZDCISA-N 1 1 443.325 4.056 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980275 722132837 /nfs/dbraw/zinc/13/28/37/722132837.db2.gz MJRWSTPUSQNSHI-PKOBYXMFSA-N 1 1 428.989 4.380 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972229 722153342 /nfs/dbraw/zinc/15/33/42/722153342.db2.gz HKYFBYDGARBSAI-DBVUQKKJSA-N 1 1 429.996 4.074 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001164980580 722162543 /nfs/dbraw/zinc/16/25/43/722162543.db2.gz NMIMOIMOGUDEEV-VWLOTQADSA-N 1 1 449.624 4.274 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@H]3COCC)CC2)nc1 ZINC001164991138 722187785 /nfs/dbraw/zinc/18/77/85/722187785.db2.gz NXRHFMXZGIYWRQ-PKTZIBPZSA-N 1 1 442.648 4.120 20 0 IIADMO CC(C)(C)OC(=O)Nc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164995847 722195047 /nfs/dbraw/zinc/19/50/47/722195047.db2.gz YQQZNVMQXFHUFS-HSZRJFAPSA-N 1 1 427.524 4.208 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(F)cc1 ZINC000604766606 1126100413 /nfs/dbraw/zinc/10/04/13/1126100413.db2.gz KAGKJWAKXGCFFX-SFHVURJKSA-N 1 1 438.528 4.141 20 0 IIADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 ZINC001176589603 1126150077 /nfs/dbraw/zinc/15/00/77/1126150077.db2.gz XQEUJTYSDMXWMX-XMMPIXPASA-N 1 1 439.581 4.228 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(C)cc1 ZINC001473840114 1126200450 /nfs/dbraw/zinc/20/04/50/1126200450.db2.gz QUDLVLADNAKANF-HSZRJFAPSA-N 1 1 427.545 4.359 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cs1)c1ccc(F)cc1F ZINC001560757637 1126213958 /nfs/dbraw/zinc/21/39/58/1126213958.db2.gz QREGYDUCSVWENO-SFHVURJKSA-N 1 1 431.508 4.108 20 0 IIADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534680 1126240580 /nfs/dbraw/zinc/24/05/80/1126240580.db2.gz SLRWVKZWPKKVSL-YOEHRIQHSA-N 1 1 429.236 4.214 20 0 IIADMO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164413230 718880315 /nfs/dbraw/zinc/88/03/15/718880315.db2.gz DXVKJMDTTPAALQ-NRFANRHFSA-N 1 1 430.518 4.293 20 0 IIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629152 719083099 /nfs/dbraw/zinc/08/30/99/719083099.db2.gz WAHSPHWUTOKWGL-JKSUJKDBSA-N 1 1 435.355 4.061 20 0 IIADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164622298 719103341 /nfs/dbraw/zinc/10/33/41/719103341.db2.gz BROUMYALJZRZOA-GBXCKJPGSA-N 1 1 430.552 4.262 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)CC2 ZINC001164652935 719315194 /nfs/dbraw/zinc/31/51/94/719315194.db2.gz URYLSPVYAXOWIP-IBGZPJMESA-N 1 1 447.631 4.410 20 0 IIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164654094 719318278 /nfs/dbraw/zinc/31/82/78/719318278.db2.gz OLSZKXLADQIZQL-UHFFFAOYSA-N 1 1 431.943 4.438 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164678509 719525892 /nfs/dbraw/zinc/52/58/92/719525892.db2.gz LOQGHWOJFHKDIV-UHFFFAOYSA-N 1 1 426.561 4.319 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164678509 719525898 /nfs/dbraw/zinc/52/58/98/719525898.db2.gz LOQGHWOJFHKDIV-UHFFFAOYSA-N 1 1 426.561 4.319 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)N(C)C(C)C)c3C2)nc1 ZINC001164695590 719788319 /nfs/dbraw/zinc/78/83/19/719788319.db2.gz NAWGNKVIFZXRSA-FQEVSTJZSA-N 1 1 425.577 4.050 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCC[C@H](C)C4)ncn2)CC3)cs1 ZINC001164693935 719815141 /nfs/dbraw/zinc/81/51/41/719815141.db2.gz ZIQKVJGACAAQPE-SFHVURJKSA-N 1 1 426.634 4.113 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164702070 719836837 /nfs/dbraw/zinc/83/68/37/719836837.db2.gz NOANPTKKIIPMQI-DEOSSOPVSA-N 1 1 448.611 4.421 20 0 IIADMO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164702824 719885836 /nfs/dbraw/zinc/88/58/36/719885836.db2.gz RECIJMPGWRCYBE-UHFFFAOYSA-N 1 1 444.988 4.225 20 0 IIADMO CSc1nc2ccsc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694672 719891356 /nfs/dbraw/zinc/89/13/56/719891356.db2.gz BZKJINDWRQXTCB-UHFFFAOYSA-N 1 1 432.640 4.346 20 0 IIADMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(-c2ccsc2)n1 ZINC001164707902 719899722 /nfs/dbraw/zinc/89/97/22/719899722.db2.gz YRFDLWVCDDBMQP-UHFFFAOYSA-N 1 1 426.611 4.446 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164711615 720093825 /nfs/dbraw/zinc/09/38/25/720093825.db2.gz RRFOVMQOYXEOSK-QHCPKHFHSA-N 1 1 446.595 4.454 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164716190 720114416 /nfs/dbraw/zinc/11/44/16/720114416.db2.gz JKNUJIIDOQJVNF-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164713523 720144272 /nfs/dbraw/zinc/14/42/72/720144272.db2.gz RGWCZTKLJDIHBX-HSZRJFAPSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164714806 720149679 /nfs/dbraw/zinc/14/96/79/720149679.db2.gz ZIMCHZBWVCYOMK-JOCHJYFZSA-N 1 1 445.567 4.171 20 0 IIADMO CCc1nc2sccc2c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711288 720149838 /nfs/dbraw/zinc/14/98/38/720149838.db2.gz GZWKFYRACZRNJP-LJQANCHMSA-N 1 1 437.613 4.156 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817908 720152414 /nfs/dbraw/zinc/15/24/14/720152414.db2.gz QRQXLCIIUYJHAP-NTKDMRAZSA-N 1 1 440.613 4.176 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164713052 720154790 /nfs/dbraw/zinc/15/47/90/720154790.db2.gz PNONWBKZEFIGSA-QHCPKHFHSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816844 720171586 /nfs/dbraw/zinc/17/15/86/720171586.db2.gz NEBNKFQVERWRDY-GAJHUEQPSA-N 1 1 446.954 4.246 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813841 720230174 /nfs/dbraw/zinc/23/01/74/720230174.db2.gz PYFHUWIWXGJRKN-UHFFFAOYSA-N 1 1 431.993 4.065 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164730519 720354575 /nfs/dbraw/zinc/35/45/75/720354575.db2.gz ZZXQSGRTTCLFTA-IAGOWNOFSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164730519 720354580 /nfs/dbraw/zinc/35/45/80/720354580.db2.gz ZZXQSGRTTCLFTA-IAGOWNOFSA-N 1 1 433.865 4.215 20 0 IIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164724712 720376256 /nfs/dbraw/zinc/37/62/56/720376256.db2.gz LCQGAAYNKUIZAR-RPWUZVMVSA-N 1 1 434.547 4.454 20 0 IIADMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729414 720419515 /nfs/dbraw/zinc/41/95/15/720419515.db2.gz HJZJDQSMEJPNSZ-LOSJGSFVSA-N 1 1 442.563 4.432 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726897 720444798 /nfs/dbraw/zinc/44/47/98/720444798.db2.gz CGFFSTSJMBTVGM-RTBURBONSA-N 1 1 425.895 4.310 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732046 720477322 /nfs/dbraw/zinc/47/73/22/720477322.db2.gz YIPIAFBWSHIOHR-ZWKOTPCHSA-N 1 1 425.895 4.310 20 0 IIADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164729545 720479125 /nfs/dbraw/zinc/47/91/25/720479125.db2.gz RNQFBVZYBQCOCV-VQTJNVASSA-N 1 1 437.931 4.179 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nnc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838965 720546697 /nfs/dbraw/zinc/54/66/97/720546697.db2.gz PESZVLUPIAUHDP-PCCBWWKXSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1C ZINC001164834024 720565453 /nfs/dbraw/zinc/56/54/53/720565453.db2.gz CGBIRMGYWIDJLR-WOIUINJBSA-N 1 1 439.007 4.474 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837636 720653003 /nfs/dbraw/zinc/65/30/03/720653003.db2.gz DQEFEVSIYHNYIH-NJDAHSKKSA-N 1 1 439.991 4.471 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164843387 720685995 /nfs/dbraw/zinc/68/59/95/720685995.db2.gz PCIHSAJKNAHIPW-LJQANCHMSA-N 1 1 426.992 4.269 20 0 IIADMO CSc1nc2c(c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n1)CCCC2 ZINC001164844461 720687790 /nfs/dbraw/zinc/68/77/90/720687790.db2.gz SDOHXVRSOZQACT-HXUWFJFHSA-N 1 1 438.641 4.337 20 0 IIADMO Cc1cccc(CN2CC[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2=O)c1 ZINC001164856262 720807489 /nfs/dbraw/zinc/80/74/89/720807489.db2.gz ZUKFIIIASVDJOT-RUZDIDTESA-N 1 1 439.003 4.268 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746958 720821955 /nfs/dbraw/zinc/82/19/55/720821955.db2.gz ZRVXTIFFJCJSAE-CNNODRBYSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754309 720868134 /nfs/dbraw/zinc/86/81/34/720868134.db2.gz RBSLLLIGNZMSLE-PXDATVDWSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755787 720873947 /nfs/dbraw/zinc/87/39/47/720873947.db2.gz YXJOMTMRKHSAMX-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853000 720875578 /nfs/dbraw/zinc/87/55/78/720875578.db2.gz BCCVSGHIIYSQFQ-QFQXNSOFSA-N 1 1 447.579 4.084 20 0 IIADMO Cc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748411 720880170 /nfs/dbraw/zinc/88/01/70/720880170.db2.gz DQXFMICVFNKZEP-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO c1cc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2s1 ZINC001164751597 720895871 /nfs/dbraw/zinc/89/58/71/720895871.db2.gz COSIGAVQCGOTAQ-RCZVLFRGSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164752284 720908847 /nfs/dbraw/zinc/90/88/47/720908847.db2.gz NVJKYFFMUHZTJB-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755158 720927564 /nfs/dbraw/zinc/92/75/64/720927564.db2.gz ZEILMWAETYSFBP-SQHAQQRYSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@@H]2C ZINC001164854867 720928249 /nfs/dbraw/zinc/92/82/49/720928249.db2.gz GKJOPHGROJNQTK-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@H]2C ZINC001164862565 720974955 /nfs/dbraw/zinc/97/49/55/720974955.db2.gz TUSXSHAZQUGSIU-HNNXBMFYSA-N 1 1 433.984 4.308 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@H]2C ZINC001164859899 720980447 /nfs/dbraw/zinc/98/04/47/720980447.db2.gz MXUWTHYFXBOHDG-AWEZNQCLSA-N 1 1 445.930 4.074 20 0 IIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864896 721015260 /nfs/dbraw/zinc/01/52/60/721015260.db2.gz ZZOJPBNDABKSRC-INIZCTEOSA-N 1 1 425.968 4.118 20 0 IIADMO Fc1ccc(F)c2c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164867866 721190902 /nfs/dbraw/zinc/19/09/02/721190902.db2.gz ITGCIXCODQMQQV-HZPDHXFCSA-N 1 1 430.886 4.041 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868853 721196124 /nfs/dbraw/zinc/19/61/24/721196124.db2.gz OGEYTZZPBZCJCY-MOPGFXCFSA-N 1 1 434.918 4.032 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772324 721223071 /nfs/dbraw/zinc/22/30/71/721223071.db2.gz SCQXCLKUHARBPN-ROUUACIJSA-N 1 1 431.918 4.125 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772325 721223717 /nfs/dbraw/zinc/22/37/17/721223717.db2.gz SCQXCLKUHARBPN-ZWKOTPCHSA-N 1 1 431.918 4.125 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878857 721260126 /nfs/dbraw/zinc/26/01/26/721260126.db2.gz VTMMUMUSWGULBI-YKSBVNFPSA-N 1 1 427.976 4.414 20 0 IIADMO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCC3)N1CCCCC1 ZINC001164768891 721297365 /nfs/dbraw/zinc/29/73/65/721297365.db2.gz JMMKHNYRLJECCI-UHFFFAOYSA-N 1 1 437.657 4.088 20 0 IIADMO CCN1CC[C@@]2(CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C)C1=O ZINC001164779016 721321835 /nfs/dbraw/zinc/32/18/35/721321835.db2.gz TVXXNQZTPJUTJA-NSYGIPOTSA-N 1 1 449.624 4.115 20 0 IIADMO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=[NH+]O4)CC3)c(Cl)nn2)c1 ZINC001164874837 721327680 /nfs/dbraw/zinc/32/76/80/721327680.db2.gz JTVPIHAKQZVZCE-UHFFFAOYSA-N 1 1 435.906 4.285 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779368 721347593 /nfs/dbraw/zinc/34/75/93/721347593.db2.gz SRBFUTOOMCBRAY-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO O=C1C[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884691 721355041 /nfs/dbraw/zinc/35/50/41/721355041.db2.gz WGJCKXQCOUIKOX-GOTSBHOMSA-N 1 1 430.577 4.086 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1 ZINC001164787746 721356677 /nfs/dbraw/zinc/35/66/77/721356677.db2.gz ZQBJFQDADJIOJF-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1 ZINC001164787746 721356680 /nfs/dbraw/zinc/35/66/80/721356680.db2.gz ZQBJFQDADJIOJF-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885103 721409541 /nfs/dbraw/zinc/40/95/41/721409541.db2.gz FMQLEXCWTQUMPY-OFVILXPXSA-N 1 1 441.019 4.167 20 0 IIADMO COc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164788214 721424845 /nfs/dbraw/zinc/42/48/45/721424845.db2.gz SKACVVCWWVXIHJ-CALCHBBNSA-N 1 1 449.605 4.392 20 0 IIADMO COc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164788214 721424849 /nfs/dbraw/zinc/42/48/49/721424849.db2.gz SKACVVCWWVXIHJ-CALCHBBNSA-N 1 1 449.605 4.392 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164789684 721428110 /nfs/dbraw/zinc/42/81/10/721428110.db2.gz WCTQTRDVTLVJRJ-KBPBESRZSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784864 721436295 /nfs/dbraw/zinc/43/62/95/721436295.db2.gz MTHWTLRLCXBPHL-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784864 721436296 /nfs/dbraw/zinc/43/62/96/721436296.db2.gz MTHWTLRLCXBPHL-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164786913 721458274 /nfs/dbraw/zinc/45/82/74/721458274.db2.gz QMVWXFBMHAJZID-NRFANRHFSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164782709 721460355 /nfs/dbraw/zinc/46/03/55/721460355.db2.gz BCYYAJACNKJZQZ-FQEVSTJZSA-N 1 1 427.564 4.108 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164889720 721470513 /nfs/dbraw/zinc/47/05/13/721470513.db2.gz IDZUFTZIMCQUCS-XUZZJYLKSA-N 1 1 446.599 4.073 20 0 IIADMO CSc1nc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164795716 721497780 /nfs/dbraw/zinc/49/77/80/721497780.db2.gz KJVHUVKZLLCCDS-UHFFFAOYSA-N 1 1 426.615 4.084 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164795405 721502276 /nfs/dbraw/zinc/50/22/76/721502276.db2.gz GHNAHACBIGHQCP-UHFFFAOYSA-N 1 1 440.595 4.303 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164796520 721524888 /nfs/dbraw/zinc/52/48/88/721524888.db2.gz ZKIMPZFUSZKBEW-KCZVDYSFSA-N 1 1 426.923 4.291 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@H+]3C2)c1 ZINC001164907615 721527005 /nfs/dbraw/zinc/52/70/05/721527005.db2.gz NQJQJFBKFVQSSB-WMZOPIPTSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@H]21 ZINC001164802502 721549504 /nfs/dbraw/zinc/54/95/04/721549504.db2.gz GNCRFAKJEKAJAS-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@H]21 ZINC001164802502 721549507 /nfs/dbraw/zinc/54/95/07/721549507.db2.gz GNCRFAKJEKAJAS-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903378 721550206 /nfs/dbraw/zinc/55/02/06/721550206.db2.gz CGPPRJIJNXLSOF-FUHWJXTLSA-N 1 1 429.927 4.147 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907552 721559237 /nfs/dbraw/zinc/55/92/37/721559237.db2.gz OJLRZHJKLHZGLK-NFBKMPQASA-N 1 1 434.515 4.023 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@H+]3C2)c1 ZINC001164910806 721559495 /nfs/dbraw/zinc/55/94/95/721559495.db2.gz XLDZYQMUSARKGQ-IEBWSBKVSA-N 1 1 442.897 4.417 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804658 721565056 /nfs/dbraw/zinc/56/50/56/721565056.db2.gz LHVPAGSBVZLPFK-FKBYEOEOSA-N 1 1 437.975 4.163 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804658 721565062 /nfs/dbraw/zinc/56/50/62/721565062.db2.gz LHVPAGSBVZLPFK-FKBYEOEOSA-N 1 1 437.975 4.163 20 0 IIADMO CN(C)C(=O)[C@H]1CC12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164902299 721570731 /nfs/dbraw/zinc/57/07/31/721570731.db2.gz JMOWNKMAESRYLH-LJQANCHMSA-N 1 1 449.624 4.115 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164804355 721578343 /nfs/dbraw/zinc/57/83/43/721578343.db2.gz JQMPXDXCPQBPPQ-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164804355 721578345 /nfs/dbraw/zinc/57/83/45/721578345.db2.gz JQMPXDXCPQBPPQ-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c1 ZINC001164807655 721581678 /nfs/dbraw/zinc/58/16/78/721581678.db2.gz PDOYQTDXIQJVCB-GNKBHMEESA-N 1 1 429.568 4.024 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c1 ZINC001164807655 721581679 /nfs/dbraw/zinc/58/16/79/721581679.db2.gz PDOYQTDXIQJVCB-GNKBHMEESA-N 1 1 429.568 4.024 20 0 IIADMO FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906312 721584314 /nfs/dbraw/zinc/58/43/14/721584314.db2.gz ZXLGWHOWMNPBKW-SFHVURJKSA-N 1 1 428.861 4.413 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907409 721584539 /nfs/dbraw/zinc/58/45/39/721584539.db2.gz SHXOPGVWMKPBLE-SFHVURJKSA-N 1 1 443.876 4.116 20 0 IIADMO FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906159 721694473 /nfs/dbraw/zinc/69/44/73/721694473.db2.gz LXDQJVJNVZZGQP-IBGZPJMESA-N 1 1 435.931 4.477 20 0 IIADMO FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908328 721696471 /nfs/dbraw/zinc/69/64/71/721696471.db2.gz YKCNMHCQAHPHDH-SFHVURJKSA-N 1 1 444.860 4.292 20 0 IIADMO FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906132 721698185 /nfs/dbraw/zinc/69/81/85/721698185.db2.gz LTLPLKMALJOGPJ-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908918 721708142 /nfs/dbraw/zinc/70/81/42/721708142.db2.gz ZMGLYOJCYVTQKM-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913966 721737644 /nfs/dbraw/zinc/73/76/44/721737644.db2.gz ZSTXCDPLPHLDSA-NRFANRHFSA-N 1 1 433.934 4.142 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164909409 721747721 /nfs/dbraw/zinc/74/77/21/721747721.db2.gz RNQQWZMXBPYICR-UHFFFAOYSA-N 1 1 441.988 4.102 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164909409 721747733 /nfs/dbraw/zinc/74/77/33/721747733.db2.gz RNQQWZMXBPYICR-UHFFFAOYSA-N 1 1 441.988 4.102 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164908903 721750852 /nfs/dbraw/zinc/75/08/52/721750852.db2.gz ODKGQABEXZNBTC-UHFFFAOYSA-N 1 1 446.942 4.375 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164908903 721750861 /nfs/dbraw/zinc/75/08/61/721750861.db2.gz ODKGQABEXZNBTC-UHFFFAOYSA-N 1 1 446.942 4.375 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908959 721754164 /nfs/dbraw/zinc/75/41/64/721754164.db2.gz ADLSADLMAXXFJE-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908959 721754168 /nfs/dbraw/zinc/75/41/68/721754168.db2.gz ADLSADLMAXXFJE-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO CCOC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164909055 721755845 /nfs/dbraw/zinc/75/58/45/721755845.db2.gz FESDHLNDLAJODN-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO CCOC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164909055 721755848 /nfs/dbraw/zinc/75/58/48/721755848.db2.gz FESDHLNDLAJODN-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO COc1cccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164909554 721760550 /nfs/dbraw/zinc/76/05/50/721760550.db2.gz BZJBAEYRUXAOLQ-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1cccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164909554 721760557 /nfs/dbraw/zinc/76/05/57/721760557.db2.gz BZJBAEYRUXAOLQ-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164911154 721765598 /nfs/dbraw/zinc/76/55/98/721765598.db2.gz NIBVIBUDJAAFDY-UHFFFAOYSA-N 1 1 433.556 4.228 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164911154 721765600 /nfs/dbraw/zinc/76/56/00/721765600.db2.gz NIBVIBUDJAAFDY-UHFFFAOYSA-N 1 1 433.556 4.228 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]21 ZINC001165027268 721799610 /nfs/dbraw/zinc/79/96/10/721799610.db2.gz VCUZNPFFBSPSOS-FRFSOERESA-N 1 1 431.371 4.397 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@H]21 ZINC001165026890 721807128 /nfs/dbraw/zinc/80/71/28/721807128.db2.gz SAQGFJHKBYTNKY-SZVBFZGTSA-N 1 1 427.980 4.027 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028225 721811639 /nfs/dbraw/zinc/81/16/39/721811639.db2.gz WSENLEGRKPHJDZ-DZFGPLHGSA-N 1 1 442.991 4.352 20 0 IIADMO COc1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165026400 721816566 /nfs/dbraw/zinc/81/65/66/721816566.db2.gz PTLCXHVNOMOJTJ-IEIRFRATSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)c1C ZINC001165024788 721817224 /nfs/dbraw/zinc/81/72/24/721817224.db2.gz KPBRSLUNNZYLMT-WDSOQIARSA-N 1 1 435.950 4.424 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028975 721818204 /nfs/dbraw/zinc/81/82/04/721818204.db2.gz YIAYOUMWDYXRMN-BPUDTRNYSA-N 1 1 430.552 4.153 20 0 IIADMO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165023520 721819071 /nfs/dbraw/zinc/81/90/71/721819071.db2.gz HNBAIGILJKNLKY-WDJPJFJCSA-N 1 1 445.567 4.409 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165029662 721827757 /nfs/dbraw/zinc/82/77/57/721827757.db2.gz XKSOSDHJEIJEFG-QTJGBDASSA-N 1 1 428.584 4.287 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)s1 ZINC001165027467 721828476 /nfs/dbraw/zinc/82/84/76/721828476.db2.gz SEBZAALRQMKDEM-CZTZKLFOSA-N 1 1 434.613 4.349 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)s1 ZINC001165027471 721828510 /nfs/dbraw/zinc/82/85/10/721828510.db2.gz SEBZAALRQMKDEM-DWLFOUALSA-N 1 1 434.613 4.349 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]21 ZINC001165024013 721828788 /nfs/dbraw/zinc/82/87/88/721828788.db2.gz JHICGENIYLMUQL-CEMLEFRQSA-N 1 1 430.556 4.141 20 0 IIADMO CCCSc1ncnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165020742 721831261 /nfs/dbraw/zinc/83/12/61/721831261.db2.gz DOVFGXVDQKGQQE-DFQSSKMNSA-N 1 1 427.618 4.119 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929250 721879095 /nfs/dbraw/zinc/87/90/95/721879095.db2.gz AWAVGJCEEBSSQJ-OALUTQOASA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929250 721879096 /nfs/dbraw/zinc/87/90/96/721879096.db2.gz AWAVGJCEEBSSQJ-OALUTQOASA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929540 721879640 /nfs/dbraw/zinc/87/96/40/721879640.db2.gz BQHDMIHJEDBOCX-SJORKVTESA-N 1 1 439.654 4.123 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929540 721879642 /nfs/dbraw/zinc/87/96/42/721879642.db2.gz BQHDMIHJEDBOCX-SJORKVTESA-N 1 1 439.654 4.123 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933021 721885640 /nfs/dbraw/zinc/88/56/40/721885640.db2.gz KVGKIPUPECEKDS-RPBOFIJWSA-N 1 1 429.568 4.151 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933021 721885643 /nfs/dbraw/zinc/88/56/43/721885643.db2.gz KVGKIPUPECEKDS-RPBOFIJWSA-N 1 1 429.568 4.151 20 0 IIADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)C3)co1 ZINC001164930183 721901125 /nfs/dbraw/zinc/90/11/25/721901125.db2.gz IZGWHUSUJFRYPU-YKSBVNFPSA-N 1 1 431.536 4.488 20 0 IIADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164938286 721914212 /nfs/dbraw/zinc/91/42/12/721914212.db2.gz ZTLWVYUQMSTYOY-KDURUIRLSA-N 1 1 434.565 4.220 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)cc1 ZINC001164939586 721932455 /nfs/dbraw/zinc/93/24/55/721932455.db2.gz MQUDNCGVTAZKSV-UHFFFAOYSA-N 1 1 445.567 4.189 20 0 IIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955463 722019003 /nfs/dbraw/zinc/01/90/03/722019003.db2.gz HSQOAMMJVJVBOV-UHFFFAOYSA-N 1 1 442.007 4.105 20 0 IIADMO Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963371 722058457 /nfs/dbraw/zinc/05/84/57/722058457.db2.gz XPJUWIKUCXFLRF-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1 ZINC001164965826 722066820 /nfs/dbraw/zinc/06/68/20/722066820.db2.gz PEZCHHWTXAXTCF-FQEVSTJZSA-N 1 1 441.645 4.076 20 0 IIADMO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975540 722107408 /nfs/dbraw/zinc/10/74/08/722107408.db2.gz CHZBJQCYCLTIDP-UYAOXDASSA-N 1 1 437.613 4.111 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971858 722121470 /nfs/dbraw/zinc/12/14/70/722121470.db2.gz CUWIOTYJZTYVGS-GDBMZVCRSA-N 1 1 427.763 4.164 20 0 IIADMO Clc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983310 722132263 /nfs/dbraw/zinc/13/22/63/722132263.db2.gz TXBGJIIHRRJLDA-KKSFZXQISA-N 1 1 444.366 4.059 20 0 IIADMO Cc1cccc(Sc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981787 722135071 /nfs/dbraw/zinc/13/50/71/722135071.db2.gz QLODRBAFNFMXIS-GGAORHGYSA-N 1 1 447.608 4.059 20 0 IIADMO Fc1cccc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977898 722155482 /nfs/dbraw/zinc/15/54/82/722155482.db2.gz ZDWREODKQGXMOG-UTKZUKDTSA-N 1 1 426.923 4.150 20 0 IIADMO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995734 722199593 /nfs/dbraw/zinc/19/95/93/722199593.db2.gz XMAUECWOZCPSBP-RUZDIDTESA-N 1 1 434.515 4.191 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996669 722206467 /nfs/dbraw/zinc/20/64/67/722206467.db2.gz VBRKTPWSGKLOSG-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996669 722206468 /nfs/dbraw/zinc/20/64/68/722206468.db2.gz VBRKTPWSGKLOSG-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO CC(=O)N(c1nc(C[NH2+]C2(CO)Cc3ccccc3C2)cs1)c1c(C)cc(C)cc1C ZINC000550389754 1126096771 /nfs/dbraw/zinc/09/67/71/1126096771.db2.gz LYFAQIZWEWZAAF-UHFFFAOYSA-N 1 1 435.593 4.372 20 0 IIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000675472915 1126105083 /nfs/dbraw/zinc/10/50/83/1126105083.db2.gz GDTPPGVBONNQJS-MAUKXSAKSA-N 1 1 431.380 4.216 20 0 IIADMO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000013473851 562988495 /nfs/dbraw/zinc/98/84/95/562988495.db2.gz CRRXNSJNCQZPSK-IBGZPJMESA-N 1 1 425.285 4.376 20 0 IIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164418153 718894218 /nfs/dbraw/zinc/89/42/18/718894218.db2.gz BOIRJKGMSREPBZ-IBGZPJMESA-N 1 1 428.621 4.041 20 0 IIADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164623975 719041483 /nfs/dbraw/zinc/04/14/83/719041483.db2.gz NNBYMCWBNXXDKB-GYCJOSAFSA-N 1 1 440.613 4.088 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619069 719066928 /nfs/dbraw/zinc/06/69/28/719066928.db2.gz CGJRAGXDDLHLQW-AEFFLSMTSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627942 719070151 /nfs/dbraw/zinc/07/01/51/719070151.db2.gz RLQGTJHBMUNMMU-VQIMIIECSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627935 719070171 /nfs/dbraw/zinc/07/01/71/719070171.db2.gz RLQGTJHBMUNMMU-LPHOPBHVSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621034 719079111 /nfs/dbraw/zinc/07/91/11/719079111.db2.gz GLKICGUHCQUPCT-NQIIRXRSSA-N 1 1 436.943 4.171 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2C)cc1 ZINC001164652816 719314566 /nfs/dbraw/zinc/31/45/66/719314566.db2.gz QVEFPOAXSGOSEY-UHFFFAOYSA-N 1 1 447.583 4.245 20 0 IIADMO CSc1cnc(Cl)c(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164651336 719314725 /nfs/dbraw/zinc/31/47/25/719314725.db2.gz JEUKWDFFCQPPEX-UHFFFAOYSA-N 1 1 429.968 4.404 20 0 IIADMO Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670302 719445095 /nfs/dbraw/zinc/44/50/95/719445095.db2.gz NTWQOVBCFHOTGZ-PMACEKPBSA-N 1 1 443.576 4.248 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164669785 719523814 /nfs/dbraw/zinc/52/38/14/719523814.db2.gz AAWRNVGQQIUCEZ-UHFFFAOYSA-N 1 1 449.526 4.032 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164669785 719523817 /nfs/dbraw/zinc/52/38/17/719523817.db2.gz AAWRNVGQQIUCEZ-UHFFFAOYSA-N 1 1 449.526 4.032 20 0 IIADMO Fc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164694859 719890789 /nfs/dbraw/zinc/89/07/89/719890789.db2.gz FPZQKEGLSKVOSH-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164710297 720101087 /nfs/dbraw/zinc/10/10/87/720101087.db2.gz IHTHBXDJYOCVPZ-HXUWFJFHSA-N 1 1 437.613 4.211 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164711697 720104753 /nfs/dbraw/zinc/10/47/53/720104753.db2.gz SRBKQCXQSORQCJ-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813904 720110727 /nfs/dbraw/zinc/11/07/27/720110727.db2.gz RPIUFLGVZYIMBC-AJTFRIOCSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164718039 720121789 /nfs/dbraw/zinc/12/17/89/720121789.db2.gz QPDAVAXQGHTZIB-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164718591 720124567 /nfs/dbraw/zinc/12/45/67/720124567.db2.gz SYBULGIAESZUTM-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164718583 720125342 /nfs/dbraw/zinc/12/53/42/720125342.db2.gz STJKJIFIAQQNLK-LJQANCHMSA-N 1 1 425.964 4.070 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809697 720136346 /nfs/dbraw/zinc/13/63/46/720136346.db2.gz IGNREWGLIYUVCY-GHTZIAJQSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164712228 720141577 /nfs/dbraw/zinc/14/15/77/720141577.db2.gz LGILGIQWBAIZBR-HSZRJFAPSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164713051 720154617 /nfs/dbraw/zinc/15/46/17/720154617.db2.gz PNONWBKZEFIGSA-HSZRJFAPSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164712420 720158266 /nfs/dbraw/zinc/15/82/66/720158266.db2.gz GMFHTCDEZUTFQS-OAQYLSRUSA-N 1 1 446.599 4.128 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818225 720180552 /nfs/dbraw/zinc/18/05/52/720180552.db2.gz SHXXLGYIFFXSOO-JPYJTQIMSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818227 720181409 /nfs/dbraw/zinc/18/14/09/720181409.db2.gz SHXXLGYIFFXSOO-WZONZLPQSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813387 720197556 /nfs/dbraw/zinc/19/75/56/720197556.db2.gz PDIFETDXSTXNET-CYFREDJKSA-N 1 1 442.991 4.415 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810785 720197603 /nfs/dbraw/zinc/19/76/03/720197603.db2.gz CPNISAWEXRPCCG-CYFREDJKSA-N 1 1 442.991 4.415 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(SCc3ccccc3)ccn1)CCC2 ZINC001164814485 720239950 /nfs/dbraw/zinc/23/99/50/720239950.db2.gz VCYDBHYIVCXFFC-UHFFFAOYSA-N 1 1 449.624 4.181 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(Cl)ccc(Cl)c3n1)CCC2 ZINC001164817337 720244596 /nfs/dbraw/zinc/24/45/96/720244596.db2.gz PZPKHPZWVFIGHD-UHFFFAOYSA-N 1 1 446.382 4.349 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816818 720259556 /nfs/dbraw/zinc/25/95/56/720259556.db2.gz MYHUHLAXBIYAJQ-BHIFYINESA-N 1 1 439.629 4.163 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731015 720379251 /nfs/dbraw/zinc/37/92/51/720379251.db2.gz YAYYIGXZLAYJAM-MSOLQXFVSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731015 720379259 /nfs/dbraw/zinc/37/92/59/720379259.db2.gz YAYYIGXZLAYJAM-MSOLQXFVSA-N 1 1 433.865 4.215 20 0 IIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730281 720457563 /nfs/dbraw/zinc/45/75/63/720457563.db2.gz JEJPNSSYUMXGSJ-GIWBLDEGSA-N 1 1 439.922 4.173 20 0 IIADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164729547 720479356 /nfs/dbraw/zinc/47/93/56/720479356.db2.gz RNQFBVZYBQCOCV-WOJBJXKFSA-N 1 1 437.931 4.179 20 0 IIADMO O[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]1Cc1ccccc1 ZINC001164830402 720492185 /nfs/dbraw/zinc/49/21/85/720492185.db2.gz BJPBHLPVDCKEHK-NHCUHLMSSA-N 1 1 448.636 4.348 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731593 720497711 /nfs/dbraw/zinc/49/77/11/720497711.db2.gz WPIRSQDRSGJYMX-UZUQRXQVSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731593 720497722 /nfs/dbraw/zinc/49/77/22/720497722.db2.gz WPIRSQDRSGJYMX-UZUQRXQVSA-N 1 1 433.955 4.329 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001164736411 720539904 /nfs/dbraw/zinc/53/99/04/720539904.db2.gz XUZNKDDHCNNVNW-GBXCKJPGSA-N 1 1 442.991 4.180 20 0 IIADMO 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 720545526 /nfs/dbraw/zinc/54/55/26/720545526.db2.gz OAQZBJUYPKVHFG-GJYPPUQNSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]21 ZINC001164840738 720567506 /nfs/dbraw/zinc/56/75/06/720567506.db2.gz SRPRATADLFWYMO-MSYCTHLASA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(OCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840097 720580123 /nfs/dbraw/zinc/58/01/23/720580123.db2.gz OZXRVBWXSAJPFP-KMDXXIMOSA-N 1 1 431.584 4.235 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164841018 720678707 /nfs/dbraw/zinc/67/87/07/720678707.db2.gz GWMSMEUUDPXICD-QGZVFWFLSA-N 1 1 431.005 4.137 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841072 720682652 /nfs/dbraw/zinc/68/26/52/720682652.db2.gz HMAAZTBFLJVCMK-QHCPKHFHSA-N 1 1 445.563 4.281 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)s1 ZINC001164841697 720722915 /nfs/dbraw/zinc/72/29/15/720722915.db2.gz VYPDNRHPKXRCPD-NRFANRHFSA-N 1 1 449.624 4.477 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744585 720819004 /nfs/dbraw/zinc/81/90/04/720819004.db2.gz VHVYFIUQBQAZKH-SQWLQELKSA-N 1 1 441.794 4.013 20 0 IIADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741660 720828052 /nfs/dbraw/zinc/82/80/52/720828052.db2.gz OARKKHAFAARZBZ-RJGXRXQPSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164750706 720885132 /nfs/dbraw/zinc/88/51/32/720885132.db2.gz BPOLQNRFJJAOIG-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758884 720894005 /nfs/dbraw/zinc/89/40/05/720894005.db2.gz ZYYGFWJGRABSQZ-ZEQKJWHPSA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758884 720894006 /nfs/dbraw/zinc/89/40/06/720894006.db2.gz ZYYGFWJGRABSQZ-ZEQKJWHPSA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)Oc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758168 720894444 /nfs/dbraw/zinc/89/44/44/720894444.db2.gz XIXDLPKQRPNPPD-JYFHCDHNSA-N 1 1 436.600 4.019 20 0 IIADMO CSc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164747173 720906219 /nfs/dbraw/zinc/90/62/19/720906219.db2.gz BZALKGXSNDVNCY-DHLKQENFSA-N 1 1 438.641 4.262 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755112 720918795 /nfs/dbraw/zinc/91/87/95/720918795.db2.gz YKEYEUQDBRMFNS-YIXXDRMTSA-N 1 1 449.643 4.233 20 0 IIADMO Cc1cc2cccnc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753809 720927593 /nfs/dbraw/zinc/92/75/93/720927593.db2.gz UDGZMMXKEZQLJB-SQHAQQRYSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164862366 720969073 /nfs/dbraw/zinc/96/90/73/720969073.db2.gz RZAUHJUBVNTEOO-LJQANCHMSA-N 1 1 429.572 4.098 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)o2)cc1 ZINC001164860407 721005290 /nfs/dbraw/zinc/00/52/90/721005290.db2.gz NZRPWGLCYANJIK-KRWDZBQOSA-N 1 1 431.544 4.211 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@@H]2C ZINC001164857299 721018893 /nfs/dbraw/zinc/01/88/93/721018893.db2.gz CLUMZGNHSUZNDU-QGZVFWFLSA-N 1 1 440.979 4.327 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@H]2C ZINC001164859510 721019495 /nfs/dbraw/zinc/01/94/95/721019495.db2.gz IUZPXHVRNGGFQG-LBPRGKRZSA-N 1 1 434.318 4.431 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763827 721028841 /nfs/dbraw/zinc/02/88/41/721028841.db2.gz LSDOSOLBTAUECL-URXFXBBRSA-N 1 1 442.991 4.071 20 0 IIADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865460 721076348 /nfs/dbraw/zinc/07/63/48/721076348.db2.gz LLRIGQZORBRNNQ-PKTZIBPZSA-N 1 1 437.547 4.172 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772229 721112838 /nfs/dbraw/zinc/11/28/38/721112838.db2.gz UNAVBKOTMZRMGA-ZWKOTPCHSA-N 1 1 431.918 4.125 20 0 IIADMO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cs1 ZINC001164877030 721149718 /nfs/dbraw/zinc/14/97/18/721149718.db2.gz OARNFTGJGGXRFV-NHCUHLMSSA-N 1 1 443.576 4.233 20 0 IIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765000 721163905 /nfs/dbraw/zinc/16/39/05/721163905.db2.gz HKBOLDKQGITXQO-JKSUJKDBSA-N 1 1 446.382 4.242 20 0 IIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872040 721175670 /nfs/dbraw/zinc/17/56/70/721175670.db2.gz GETOCQOSWUJPIU-DLBZAZTESA-N 1 1 445.901 4.096 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)nc1 ZINC001164873700 721315589 /nfs/dbraw/zinc/31/55/89/721315589.db2.gz AFQOVBSTLVCQHF-MZURWIMNSA-N 1 1 436.600 4.476 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889964 721410326 /nfs/dbraw/zinc/41/03/26/721410326.db2.gz RXPMQVFQAIMMHD-DHLKQENFSA-N 1 1 441.019 4.167 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790841 721425334 /nfs/dbraw/zinc/42/53/34/721425334.db2.gz YIOFNXWTGNVLGJ-GJZGRUSLSA-N 1 1 442.972 4.090 20 0 IIADMO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787474 721434607 /nfs/dbraw/zinc/43/46/07/721434607.db2.gz RNQWLGPGGIDMII-KDURUIRLSA-N 1 1 440.016 4.362 20 0 IIADMO Cc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787474 721434615 /nfs/dbraw/zinc/43/46/15/721434615.db2.gz RNQWLGPGGIDMII-KDURUIRLSA-N 1 1 440.016 4.362 20 0 IIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784205 721436837 /nfs/dbraw/zinc/43/68/37/721436837.db2.gz KVIGBYPMQFSHAM-HOTGVXAUSA-N 1 1 427.961 4.255 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897895 721446207 /nfs/dbraw/zinc/44/62/07/721446207.db2.gz VBTFDYUNFDFJAL-UZUQRXQVSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164786446 721450121 /nfs/dbraw/zinc/45/01/21/721450121.db2.gz MNMSDZXCSOMMDQ-SFHVURJKSA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164786435 721450395 /nfs/dbraw/zinc/45/03/95/721450395.db2.gz MNMSDZXCSOMMDQ-GOSISDBHSA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164786866 721458591 /nfs/dbraw/zinc/45/85/91/721458591.db2.gz QCFPNWDTZSBEHE-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164889718 721470516 /nfs/dbraw/zinc/47/05/16/721470516.db2.gz IDZUFTZIMCQUCS-URXFXBBRSA-N 1 1 446.599 4.073 20 0 IIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792980 721493209 /nfs/dbraw/zinc/49/32/09/721493209.db2.gz XCZCLOJUJSJXBD-UHFFFAOYSA-N 1 1 442.991 4.496 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164791419 721495153 /nfs/dbraw/zinc/49/51/53/721495153.db2.gz COOUQELMIQQNIR-UHFFFAOYSA-N 1 1 442.991 4.496 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164797036 721502950 /nfs/dbraw/zinc/50/29/50/721502950.db2.gz XVLBPYFNAXUHKJ-UHFFFAOYSA-N 1 1 428.964 4.106 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895613 721505367 /nfs/dbraw/zinc/50/53/67/721505367.db2.gz DFWHUHQUVYUYKC-GOTSBHOMSA-N 1 1 433.600 4.056 20 0 IIADMO COc1cccc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794550 721525726 /nfs/dbraw/zinc/52/57/26/721525726.db2.gz FSNQFHHNQRSFHK-WWEVIYMKSA-N 1 1 438.959 4.160 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@H+]3C2)c1 ZINC001164907609 721526832 /nfs/dbraw/zinc/52/68/32/721526832.db2.gz NQJQJFBKFVQSSB-AEFFLSMTSA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@H+]3C2)c1 ZINC001164907611 721527253 /nfs/dbraw/zinc/52/72/53/721527253.db2.gz NQJQJFBKFVQSSB-FUHWJXTLSA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@H+]3C2)c1 ZINC001164908142 721528896 /nfs/dbraw/zinc/52/88/96/721528896.db2.gz PCNBLLASWALOSG-DZGCQCFKSA-N 1 1 434.849 4.042 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164804478 721530407 /nfs/dbraw/zinc/53/04/07/721530407.db2.gz JYSRCECGQRWYDD-GPMSIDNRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164804478 721530411 /nfs/dbraw/zinc/53/04/11/721530411.db2.gz JYSRCECGQRWYDD-GPMSIDNRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807160 721548346 /nfs/dbraw/zinc/54/83/46/721548346.db2.gz PQQJIFPSVQMGLZ-UZKOGDIHSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164905934 721562592 /nfs/dbraw/zinc/56/25/92/721562592.db2.gz IDEYYXPXYFEJDC-MJGOQNOKSA-N 1 1 447.539 4.234 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164905936 721562795 /nfs/dbraw/zinc/56/27/95/721562795.db2.gz IDEYYXPXYFEJDC-PKOBYXMFSA-N 1 1 447.539 4.234 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164798641 721566153 /nfs/dbraw/zinc/56/61/53/721566153.db2.gz BROBOJWNLZUDGY-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164798641 721566156 /nfs/dbraw/zinc/56/61/56/721566156.db2.gz BROBOJWNLZUDGY-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c1 ZINC001164807657 721581466 /nfs/dbraw/zinc/58/14/66/721581466.db2.gz PDOYQTDXIQJVCB-KYPHJKQUSA-N 1 1 429.568 4.024 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c1 ZINC001164807657 721581471 /nfs/dbraw/zinc/58/14/71/721581471.db2.gz PDOYQTDXIQJVCB-KYPHJKQUSA-N 1 1 429.568 4.024 20 0 IIADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588170 /nfs/dbraw/zinc/58/81/70/721588170.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 1 1 449.643 4.282 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588172 /nfs/dbraw/zinc/58/81/72/721588172.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 1 1 449.643 4.282 20 0 IIADMO FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913978 721729483 /nfs/dbraw/zinc/72/94/83/721729483.db2.gz ZVUMXDDFNWNISW-DEOSSOPVSA-N 1 1 435.522 4.200 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164912549 721766419 /nfs/dbraw/zinc/76/64/19/721766419.db2.gz ZKOVYIGBTWBFAO-UHFFFAOYSA-N 1 1 449.605 4.113 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164912549 721766421 /nfs/dbraw/zinc/76/64/21/721766421.db2.gz ZKOVYIGBTWBFAO-UHFFFAOYSA-N 1 1 449.605 4.113 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]21 ZINC001165027270 721799794 /nfs/dbraw/zinc/79/97/94/721799794.db2.gz VCUZNPFFBSPSOS-UKPHBRMFSA-N 1 1 431.371 4.397 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4ncnc(C5CC5)c4CC3)c2c1C ZINC001164917409 721804068 /nfs/dbraw/zinc/80/40/68/721804068.db2.gz WISZPMLBRCZZMJ-UHFFFAOYSA-N 1 1 434.613 4.177 20 0 IIADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165027677 721809728 /nfs/dbraw/zinc/80/97/28/721809728.db2.gz VNDCCGZCHCLAEK-BGWNEDDSSA-N 1 1 430.552 4.153 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165025123 721811138 /nfs/dbraw/zinc/81/11/38/721811138.db2.gz LLGNILCOXZUBSE-KVSKMBFKSA-N 1 1 436.934 4.420 20 0 IIADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165024197 721814851 /nfs/dbraw/zinc/81/48/51/721814851.db2.gz JOPPFYKTCYOXIL-XKGZKEIXSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]21 ZINC001165027777 721815223 /nfs/dbraw/zinc/81/52/23/721815223.db2.gz VXTUILDEQGNKGD-AJSBUHFISA-N 1 1 440.035 4.463 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021669 721815318 /nfs/dbraw/zinc/81/53/18/721815318.db2.gz FXBCECOXXZQING-WMQCIHAUSA-N 1 1 442.991 4.352 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@@H]21 ZINC001165027667 721816136 /nfs/dbraw/zinc/81/61/36/721816136.db2.gz VMHQOKFCKXTULV-IEZKXTBUSA-N 1 1 429.568 4.188 20 0 IIADMO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)c1C ZINC001165024784 721817052 /nfs/dbraw/zinc/81/70/52/721817052.db2.gz KPBRSLUNNZYLMT-UHOSZYNNSA-N 1 1 435.950 4.424 20 0 IIADMO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165023519 721818787 /nfs/dbraw/zinc/81/87/87/721818787.db2.gz HNBAIGILJKNLKY-IGKWTDBASA-N 1 1 445.567 4.409 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026812 721819444 /nfs/dbraw/zinc/81/94/44/721819444.db2.gz RMIZSVHYPDFKDM-QXAKKESOSA-N 1 1 439.995 4.193 20 0 IIADMO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165026796 721820183 /nfs/dbraw/zinc/82/01/83/721820183.db2.gz RDWZWRDSXHMEQX-HQRMLTQVSA-N 1 1 428.964 4.044 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165026781 721823545 /nfs/dbraw/zinc/82/35/45/721823545.db2.gz QGSSBCXLQBCUML-GVXSCFBNSA-N 1 1 447.627 4.086 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]21 ZINC001165024433 721825941 /nfs/dbraw/zinc/82/59/41/721825941.db2.gz JVQAVYVCBJFCPQ-UWWQBHOKSA-N 1 1 446.933 4.288 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931235 721856344 /nfs/dbraw/zinc/85/63/44/721856344.db2.gz UJSRPRKFZBQDGA-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931235 721856348 /nfs/dbraw/zinc/85/63/48/721856348.db2.gz UJSRPRKFZBQDGA-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927443 721864264 /nfs/dbraw/zinc/86/42/64/721864264.db2.gz VRDVCLZTFWRFBP-VXKWHMMOSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927443 721864265 /nfs/dbraw/zinc/86/42/65/721864265.db2.gz VRDVCLZTFWRFBP-VXKWHMMOSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929538 721879494 /nfs/dbraw/zinc/87/94/94/721879494.db2.gz BQHDMIHJEDBOCX-IRXDYDNUSA-N 1 1 439.654 4.123 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929538 721879496 /nfs/dbraw/zinc/87/94/96/721879496.db2.gz BQHDMIHJEDBOCX-IRXDYDNUSA-N 1 1 439.654 4.123 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(C)n4)CC3)C2)cc1 ZINC001164940424 721922906 /nfs/dbraw/zinc/92/29/06/721922906.db2.gz QCWKAQRBJMPTBA-UHFFFAOYSA-N 1 1 436.934 4.163 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947628 721975415 /nfs/dbraw/zinc/97/54/15/721975415.db2.gz PRGHQLJQCOOGQD-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947628 721975419 /nfs/dbraw/zinc/97/54/19/721975419.db2.gz PRGHQLJQCOOGQD-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2nccnc2C2SCCCS2)CC3)c1 ZINC001164953596 722015705 /nfs/dbraw/zinc/01/57/05/722015705.db2.gz VONRKWCTNOZXTP-UHFFFAOYSA-N 1 1 427.643 4.233 20 0 IIADMO Clc1nc2c(Cl)nccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164956219 722021091 /nfs/dbraw/zinc/02/10/91/722021091.db2.gz YVXUELVZHIDVAZ-UHFFFAOYSA-N 1 1 429.355 4.219 20 0 IIADMO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963224 722057570 /nfs/dbraw/zinc/05/75/70/722057570.db2.gz JCGXGWPMJVACDF-UHFFFAOYSA-N 1 1 436.934 4.102 20 0 IIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984741 722099477 /nfs/dbraw/zinc/09/94/77/722099477.db2.gz UHTQXVFDDFEHOJ-UWJYYQICSA-N 1 1 426.923 4.150 20 0 IIADMO COc1cccc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981566 722099945 /nfs/dbraw/zinc/09/99/45/722099945.db2.gz LSSRHDXTSINODO-AVRDEDQJSA-N 1 1 438.959 4.019 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982253 722135633 /nfs/dbraw/zinc/13/56/33/722135633.db2.gz RLMBEUTZWUNEJP-DENIHFKCSA-N 1 1 430.980 4.036 20 0 IIADMO Fc1cccc2cc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971230 722158853 /nfs/dbraw/zinc/15/88/53/722158853.db2.gz BDWXJBXRMUBYQZ-ICSRJNTNSA-N 1 1 426.923 4.150 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997449 722210461 /nfs/dbraw/zinc/21/04/61/722210461.db2.gz QGDGLMQQQVYXMW-AREMUKBSSA-N 1 1 429.543 4.411 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 ZINC000537297671 1126096827 /nfs/dbraw/zinc/09/68/27/1126096827.db2.gz ONNDQKSBAXWUIP-IBGZPJMESA-N 1 1 434.565 4.311 20 0 IIADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765785 1126099549 /nfs/dbraw/zinc/09/95/49/1126099549.db2.gz IIUWVCDLMIHNNO-LPHOPBHVSA-N 1 1 436.455 4.163 20 0 IIADMO Cc1cc(-c2noc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1F ZINC001308118940 1126164077 /nfs/dbraw/zinc/16/40/77/1126164077.db2.gz WQZAPMDHYXZENY-FQEVSTJZSA-N 1 1 434.309 4.030 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1F ZINC001621463355 1126246548 /nfs/dbraw/zinc/24/65/48/1126246548.db2.gz WFOJQVDZFRFHJP-JOCHJYFZSA-N 1 1 449.498 4.328 20 0 IIADMO COC(=O)[C@]1(C)CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164392171 718805391 /nfs/dbraw/zinc/80/53/91/718805391.db2.gz YWTKPPHCXOCJGF-QHCPKHFHSA-N 1 1 428.602 4.088 20 0 IIADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164424763 718928745 /nfs/dbraw/zinc/92/87/45/718928745.db2.gz PISIPHGDUIBFNX-JKSUJKDBSA-N 1 1 434.556 4.026 20 0 IIADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCn3c(C)[nH+]cc3C2)cc1 ZINC001164440355 718990690 /nfs/dbraw/zinc/99/06/90/718990690.db2.gz MQSCWAIOCCLKCL-UHFFFAOYSA-N 1 1 432.858 4.259 20 0 IIADMO c1ccc(CN2CCc3ncnc(N4CCC[C@H]5C[N@@H+](Cc6ccccc6)C[C@H]54)c3C2)cc1 ZINC001164629086 719061919 /nfs/dbraw/zinc/06/19/19/719061919.db2.gz VLSJEFQZMJZSEL-RPLLCQBOSA-N 1 1 439.607 4.136 20 0 IIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@@H]3C2)cc1 ZINC001164622284 719103725 /nfs/dbraw/zinc/10/37/25/719103725.db2.gz BPUZZBJZTZIGDD-ISKFKSNPSA-N 1 1 442.563 4.406 20 0 IIADMO CSc1ccc(Oc2cc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)ncn2)cc1 ZINC001164652783 719314278 /nfs/dbraw/zinc/31/42/78/719314278.db2.gz PRKCYYQUORICGR-UHFFFAOYSA-N 1 1 438.601 4.393 20 0 IIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679134 719533318 /nfs/dbraw/zinc/53/33/18/719533318.db2.gz UFRXRIFXNFQMDR-SFHVURJKSA-N 1 1 437.563 4.482 20 0 IIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679134 719533327 /nfs/dbraw/zinc/53/33/27/719533327.db2.gz UFRXRIFXNFQMDR-SFHVURJKSA-N 1 1 437.563 4.482 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(C)cc(Cl)n2)CC3)cs1 ZINC001164693777 719803971 /nfs/dbraw/zinc/80/39/71/719803971.db2.gz UPHKDXUUQDQMHI-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(C)cc(Cl)n2)CC3)cs1 ZINC001164693777 719803977 /nfs/dbraw/zinc/80/39/77/719803977.db2.gz UPHKDXUUQDQMHI-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cs1 ZINC001164693496 719815673 /nfs/dbraw/zinc/81/56/73/719815673.db2.gz VOOAQZGQEDSCAI-UHFFFAOYSA-N 1 1 436.585 4.409 20 0 IIADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)c1 ZINC001164696107 719889908 /nfs/dbraw/zinc/88/99/08/719889908.db2.gz XIQLCXFJEXRYEN-UHFFFAOYSA-N 1 1 448.683 4.278 20 0 IIADMO CSc1ccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164707514 719906177 /nfs/dbraw/zinc/90/61/77/719906177.db2.gz SJJXYOIAUJGSNB-UHFFFAOYSA-N 1 1 426.611 4.285 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815798 720076960 /nfs/dbraw/zinc/07/69/60/720076960.db2.gz ZRDXBNPJBUBBCN-IERDGZPVSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164712100 720101177 /nfs/dbraw/zinc/10/11/77/720101177.db2.gz VLLVRQBTWHCXMO-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164717338 720121518 /nfs/dbraw/zinc/12/15/18/720121518.db2.gz NGHTXRZMVWFBRJ-FQEVSTJZSA-N 1 1 449.624 4.254 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164712170 720153307 /nfs/dbraw/zinc/15/33/07/720153307.db2.gz KQEYHXFMUIEFEJ-HXUWFJFHSA-N 1 1 444.023 4.464 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812969 720156983 /nfs/dbraw/zinc/15/69/83/720156983.db2.gz BCBPBYZMIQOTFY-HOFKKMOUSA-N 1 1 449.595 4.028 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816845 720172139 /nfs/dbraw/zinc/17/21/39/720172139.db2.gz NEBNKFQVERWRDY-HXOBKFHXSA-N 1 1 446.954 4.246 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3cc(Cl)ccc31)CCC2 ZINC001164812816 720218561 /nfs/dbraw/zinc/21/85/61/720218561.db2.gz JEMZYLONIMSQAF-UHFFFAOYSA-N 1 1 446.382 4.349 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812948 720226986 /nfs/dbraw/zinc/22/69/86/720226986.db2.gz KWJRJWJIVTUOIC-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729411 720418125 /nfs/dbraw/zinc/41/81/25/720418125.db2.gz HJZJDQSMEJPNSZ-JWQCQUIFSA-N 1 1 442.563 4.432 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725755 720428375 /nfs/dbraw/zinc/42/83/75/720428375.db2.gz AXMTXOXXAFRHLU-RPWUZVMVSA-N 1 1 428.536 4.092 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164735723 720436976 /nfs/dbraw/zinc/43/69/76/720436976.db2.gz YCEWAZLJROIKRZ-MSOLQXFVSA-N 1 1 425.895 4.310 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730944 720449462 /nfs/dbraw/zinc/44/94/62/720449462.db2.gz JXLKOIVWOOBNHU-OALUTQOASA-N 1 1 445.901 4.085 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730944 720449474 /nfs/dbraw/zinc/44/94/74/720449474.db2.gz JXLKOIVWOOBNHU-OALUTQOASA-N 1 1 445.901 4.085 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164834505 720492287 /nfs/dbraw/zinc/49/22/87/720492287.db2.gz SUYWPKSRWRQMJT-LEWJYISDSA-N 1 1 436.625 4.476 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839625 720542206 /nfs/dbraw/zinc/54/22/06/720542206.db2.gz QWPFUXIAYLBMLL-KGVIQGDOSA-N 1 1 439.991 4.471 20 0 IIADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840730 720569508 /nfs/dbraw/zinc/56/95/08/720569508.db2.gz SRKLHTDTXQRSFB-SFHLNBCPSA-N 1 1 430.556 4.259 20 0 IIADMO 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 720584923 /nfs/dbraw/zinc/58/49/23/720584923.db2.gz AOHVHHFHJIMNBM-SQNIBIBYSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840753 720588463 /nfs/dbraw/zinc/58/84/63/720588463.db2.gz QOQICCMDPNRFAS-QHAWAJNXSA-N 1 1 449.603 4.003 20 0 IIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164842889 720600153 /nfs/dbraw/zinc/60/01/53/720600153.db2.gz WFEMKFJFGZFAJY-WSTZPKSXSA-N 1 1 436.629 4.063 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843603 720613197 /nfs/dbraw/zinc/61/31/97/720613197.db2.gz YMIAAHWBEUZAIQ-UNWVZKJWSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3OCc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839513 720621966 /nfs/dbraw/zinc/62/19/66/720621966.db2.gz NVYFTKPSTKUMRV-YFNKSVMNSA-N 1 1 449.574 4.374 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164839218 720622452 /nfs/dbraw/zinc/62/24/52/720622452.db2.gz MJSRFKYMCDXAKP-OTNCWRBYSA-N 1 1 446.599 4.117 20 0 IIADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837779 720637456 /nfs/dbraw/zinc/63/74/56/720637456.db2.gz JJGRACVEXXMSGD-DCLXLUIPSA-N 1 1 434.563 4.165 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164838246 720652354 /nfs/dbraw/zinc/65/23/54/720652354.db2.gz GTVHDABGUAEXJG-FIKGOQFSSA-N 1 1 449.977 4.343 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164841015 720678775 /nfs/dbraw/zinc/67/87/75/720678775.db2.gz GWMSMEUUDPXICD-KRWDZBQOSA-N 1 1 431.005 4.137 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164846832 720755862 /nfs/dbraw/zinc/75/58/62/720755862.db2.gz KDBRNGZRJMHHMB-SBUREZEXSA-N 1 1 429.634 4.178 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCC[C@@]12CCC(=O)N2 ZINC001164844691 720757330 /nfs/dbraw/zinc/75/73/30/720757330.db2.gz CLIIIYMSRVOFQE-UQBPGWFLSA-N 1 1 449.624 4.448 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164845139 720779629 /nfs/dbraw/zinc/77/96/29/720779629.db2.gz FCYUATAEMUHGEE-VPBXCIAMSA-N 1 1 436.600 4.367 20 0 IIADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741648 720827929 /nfs/dbraw/zinc/82/79/29/720827929.db2.gz OARKKHAFAARZBZ-DNVJHFABSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164753000 720879881 /nfs/dbraw/zinc/87/98/81/720879881.db2.gz OGAWSEYLRCTOGX-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747196 720880595 /nfs/dbraw/zinc/88/05/95/720880595.db2.gz ALCXYBYVDUUVIS-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747194 720880968 /nfs/dbraw/zinc/88/09/68/720880968.db2.gz ALCXYBYVDUUVIS-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO Fc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758131 720887865 /nfs/dbraw/zinc/88/78/65/720887865.db2.gz WZYDWKOCGWSANF-WMZHIEFXSA-N 1 1 430.955 4.024 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758882 720893721 /nfs/dbraw/zinc/89/37/21/720893721.db2.gz ZYYGFWJGRABSQZ-JYFHCDHNSA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758882 720893723 /nfs/dbraw/zinc/89/37/23/720893723.db2.gz ZYYGFWJGRABSQZ-JYFHCDHNSA-N 1 1 436.600 4.019 20 0 IIADMO Cc1csc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754646 720903720 /nfs/dbraw/zinc/90/37/20/720903720.db2.gz WQMIOPQPLSFJCJ-OFVILXPXSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1cc2ccncc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755156 720927912 /nfs/dbraw/zinc/92/79/12/720927912.db2.gz ZEILMWAETYSFBP-RPLLCQBOSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@@H]2C ZINC001164858678 720935134 /nfs/dbraw/zinc/93/51/34/720935134.db2.gz JVVPCZSKFZLRIG-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164767626 721097015 /nfs/dbraw/zinc/09/70/15/721097015.db2.gz MNZJSPYKMDALAS-WOJBJXKFSA-N 1 1 430.581 4.050 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771004 721100139 /nfs/dbraw/zinc/10/01/39/721100139.db2.gz QVPINARJVROTDN-NWDGAFQWSA-N 1 1 435.186 4.387 20 0 IIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866650 721114075 /nfs/dbraw/zinc/11/40/75/721114075.db2.gz UNHVTTFRYXEDQE-MOPGFXCFSA-N 1 1 444.913 4.308 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772226 721114175 /nfs/dbraw/zinc/11/41/75/721114175.db2.gz UNAVBKOTMZRMGA-MSOLQXFVSA-N 1 1 431.918 4.125 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768137 721114505 /nfs/dbraw/zinc/11/45/05/721114505.db2.gz NJLUAEQGXWOLKD-ZWKOTPCHSA-N 1 1 431.918 4.125 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872113 721168327 /nfs/dbraw/zinc/16/83/27/721168327.db2.gz GRWOIPVGPGEUBH-LEWJYISDSA-N 1 1 449.986 4.289 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772323 721223058 /nfs/dbraw/zinc/22/30/58/721223058.db2.gz SCQXCLKUHARBPN-QZTJIDSGSA-N 1 1 431.918 4.125 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878850 721259998 /nfs/dbraw/zinc/25/99/98/721259998.db2.gz VTMMUMUSWGULBI-HYBUGGRVSA-N 1 1 427.976 4.414 20 0 IIADMO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCCC3)N1CCCC1 ZINC001164769669 721298534 /nfs/dbraw/zinc/29/85/34/721298534.db2.gz LAFHNKJBKNOTJH-UHFFFAOYSA-N 1 1 437.657 4.088 20 0 IIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164774356 721303170 /nfs/dbraw/zinc/30/31/70/721303170.db2.gz AGYGNUNOVIMTNM-UHFFFAOYSA-N 1 1 432.959 4.176 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164875353 721326128 /nfs/dbraw/zinc/32/61/28/721326128.db2.gz FAYVSNJKRRLFMH-UHFFFAOYSA-N 1 1 430.286 4.116 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776129 721327663 /nfs/dbraw/zinc/32/76/63/721327663.db2.gz CSSXZVICMZGRJZ-UNMCSNQZSA-N 1 1 440.563 4.370 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776992 721338382 /nfs/dbraw/zinc/33/83/82/721338382.db2.gz JKPGZPSRHQYRQK-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164779041 721353119 /nfs/dbraw/zinc/35/31/19/721353119.db2.gz PJXWSPOSYGYFDB-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164779041 721353121 /nfs/dbraw/zinc/35/31/21/721353121.db2.gz PJXWSPOSYGYFDB-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164783031 721369912 /nfs/dbraw/zinc/36/99/12/721369912.db2.gz OXKHFTWWWDEIIQ-HSZRJFAPSA-N 1 1 441.601 4.032 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885105 721409822 /nfs/dbraw/zinc/40/98/22/721409822.db2.gz FMQLEXCWTQUMPY-PXDATVDWSA-N 1 1 441.019 4.167 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889975 721410387 /nfs/dbraw/zinc/41/03/87/721410387.db2.gz RXPMQVFQAIMMHD-RDGATRHJSA-N 1 1 441.019 4.167 20 0 IIADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785529 721433439 /nfs/dbraw/zinc/43/34/39/721433439.db2.gz NNAAHWQNOWRTOB-OYRHEFFESA-N 1 1 446.624 4.159 20 0 IIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785529 721433443 /nfs/dbraw/zinc/43/34/43/721433443.db2.gz NNAAHWQNOWRTOB-OYRHEFFESA-N 1 1 446.624 4.159 20 0 IIADMO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(C[N@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785062 721445028 /nfs/dbraw/zinc/44/50/28/721445028.db2.gz RLGMVRKJSLQYTB-RDPSFJRHSA-N 1 1 442.629 4.033 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164788526 721464356 /nfs/dbraw/zinc/46/43/56/721464356.db2.gz TVMKYGBUPSWFNG-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164897006 721474190 /nfs/dbraw/zinc/47/41/90/721474190.db2.gz ZGNUPFQPGOVCGQ-DEOSSOPVSA-N 1 1 432.612 4.430 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901985 721490527 /nfs/dbraw/zinc/49/05/27/721490527.db2.gz XWSVFRHSIXKCHW-FYYLOGMGSA-N 1 1 440.632 4.063 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164792280 721493301 /nfs/dbraw/zinc/49/33/01/721493301.db2.gz MVBCVJNMSVJBLO-UHFFFAOYSA-N 1 1 427.980 4.171 20 0 IIADMO COc1cc2nc(C)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164792598 721495469 /nfs/dbraw/zinc/49/54/69/721495469.db2.gz RWRKQALWAOAXSK-UHFFFAOYSA-N 1 1 447.583 4.231 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808373 721529986 /nfs/dbraw/zinc/52/99/86/721529986.db2.gz RRRKXARQWDUUBA-LMMKCTJWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808373 721529990 /nfs/dbraw/zinc/52/99/90/721529990.db2.gz RRRKXARQWDUUBA-LMMKCTJWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164800643 721533562 /nfs/dbraw/zinc/53/35/62/721533562.db2.gz CVEKKJIKFPGTGW-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164800643 721533568 /nfs/dbraw/zinc/53/35/68/721533568.db2.gz CVEKKJIKFPGTGW-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164805840 721567490 /nfs/dbraw/zinc/56/74/90/721567490.db2.gz PCGKNDJLVYRFKR-QNWVGRARSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804358 721578167 /nfs/dbraw/zinc/57/81/67/721578167.db2.gz JQMPXDXCPQBPPQ-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804358 721578170 /nfs/dbraw/zinc/57/81/70/721578170.db2.gz JQMPXDXCPQBPPQ-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906150 721582893 /nfs/dbraw/zinc/58/28/93/721582893.db2.gz ZDDKLSTWJIYUOK-SFHVURJKSA-N 1 1 428.861 4.413 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@@H]12 ZINC001164802634 721590670 /nfs/dbraw/zinc/59/06/70/721590670.db2.gz HKZUCHLLXXFUET-GEQKSPFYSA-N 1 1 444.913 4.430 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@@H]2CCCO[C@@H]12 ZINC001164810883 721591665 /nfs/dbraw/zinc/59/16/65/721591665.db2.gz WONNLJWQLPCTLS-WOIUINJBSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@@H]2CCCO[C@@H]12 ZINC001164810883 721591667 /nfs/dbraw/zinc/59/16/67/721591667.db2.gz WONNLJWQLPCTLS-WOIUINJBSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164800849 721591826 /nfs/dbraw/zinc/59/18/26/721591826.db2.gz CVVIPGSOGYOQEW-KCZVDYSFSA-N 1 1 448.945 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164800849 721591829 /nfs/dbraw/zinc/59/18/29/721591829.db2.gz CVVIPGSOGYOQEW-KCZVDYSFSA-N 1 1 448.945 4.032 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799989 721592171 /nfs/dbraw/zinc/59/21/71/721592171.db2.gz BBKZOMKWCABDPK-NHCICSSKSA-N 1 1 438.959 4.160 20 0 IIADMO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)c1 ZINC001164800710 721601600 /nfs/dbraw/zinc/60/16/00/721601600.db2.gz MPXPUBMJVSAXIG-GJZUVCINSA-N 1 1 436.600 4.081 20 0 IIADMO FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907064 721697858 /nfs/dbraw/zinc/69/78/58/721697858.db2.gz QVDWJSYCGPGWPJ-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC001165008247 721726733 /nfs/dbraw/zinc/72/67/33/721726733.db2.gz LIHVANOEIJQAAM-XMMPIXPASA-N 1 1 443.661 4.377 20 0 IIADMO Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913143 721727913 /nfs/dbraw/zinc/72/79/13/721727913.db2.gz UJILRRKVRDLPKU-OAQYLSRUSA-N 1 1 433.934 4.449 20 0 IIADMO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914001 721728974 /nfs/dbraw/zinc/72/89/74/721728974.db2.gz ZZBBEHWCKVDXFF-QHCPKHFHSA-N 1 1 439.510 4.080 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164910850 721755794 /nfs/dbraw/zinc/75/57/94/721755794.db2.gz SSLZGAFUDAYKCY-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164910850 721755799 /nfs/dbraw/zinc/75/57/99/721755799.db2.gz SSLZGAFUDAYKCY-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024655 721798496 /nfs/dbraw/zinc/79/84/96/721798496.db2.gz MPTRQNQCDOKFAO-PWIZWCRZSA-N 1 1 428.964 4.044 20 0 IIADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027413 721809231 /nfs/dbraw/zinc/80/92/31/721809231.db2.gz URLUUYFVJVKLSH-TUACAJSNSA-N 1 1 430.552 4.153 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025967 721814380 /nfs/dbraw/zinc/81/43/80/721814380.db2.gz ONNPJFKHQBDNDZ-WWPVKYPJSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025967 721814381 /nfs/dbraw/zinc/81/43/81/721814381.db2.gz ONNPJFKHQBDNDZ-WWPVKYPJSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165022665 721814887 /nfs/dbraw/zinc/81/48/87/721814887.db2.gz GLGAIHHDWIPAQI-USXIJHARSA-N 1 1 428.993 4.180 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028977 721817812 /nfs/dbraw/zinc/81/78/12/721817812.db2.gz YIAYOUMWDYXRMN-KWOQKUFVSA-N 1 1 430.552 4.153 20 0 IIADMO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1Cl ZINC001165026799 721820484 /nfs/dbraw/zinc/82/04/84/721820484.db2.gz RDWZWRDSXHMEQX-XKGZKEIXSA-N 1 1 428.964 4.044 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 ZINC001165026320 721822563 /nfs/dbraw/zinc/82/25/63/721822563.db2.gz OUISPOFZCRGSMW-UWDQQESISA-N 1 1 442.611 4.362 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165029753 721825532 /nfs/dbraw/zinc/82/55/32/721825532.db2.gz XPOCCTGRYPRVLN-KWOQKUFVSA-N 1 1 430.552 4.153 20 0 IIADMO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncn2)cc1 ZINC001165021500 721825595 /nfs/dbraw/zinc/82/55/95/721825595.db2.gz FWQCLJXGMMQIEX-OPHFCASCSA-N 1 1 429.568 4.284 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2)n1 ZINC001165027511 721827568 /nfs/dbraw/zinc/82/75/68/721827568.db2.gz SMKDVOSMTYMRNV-KSEOMHKRSA-N 1 1 432.572 4.387 20 0 IIADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001165026340 721828035 /nfs/dbraw/zinc/82/80/35/721828035.db2.gz OWUIBOPKHREHTI-JKFKMHIGSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]21 ZINC001165024032 721831935 /nfs/dbraw/zinc/83/19/35/721831935.db2.gz JIQALNLZMBOLGU-XUEUYAKLSA-N 1 1 430.531 4.382 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934615 721877876 /nfs/dbraw/zinc/87/78/76/721877876.db2.gz SRCAIFHXKXMWBS-RBUKOAKNSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934615 721877878 /nfs/dbraw/zinc/87/78/78/721877878.db2.gz SRCAIFHXKXMWBS-RBUKOAKNSA-N 1 1 428.005 4.226 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccccn5)n4)CC3)C2)cc1 ZINC001164938677 721930260 /nfs/dbraw/zinc/93/02/60/721930260.db2.gz DKBCCQZSBRQSGZ-UHFFFAOYSA-N 1 1 429.568 4.027 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5nc(C(C)C)no5)ccn4)CC3)C2)cc1 ZINC001164940237 721932467 /nfs/dbraw/zinc/93/24/67/721932467.db2.gz SYEDQYOELZDOGT-UHFFFAOYSA-N 1 1 447.583 4.435 20 0 IIADMO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164948331 721966603 /nfs/dbraw/zinc/96/66/03/721966603.db2.gz TZLFQSTVIOTERJ-DHLKQENFSA-N 1 1 439.003 4.100 20 0 IIADMO CCOc1cc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1OCC ZINC001164952438 722017734 /nfs/dbraw/zinc/01/77/34/722017734.db2.gz KKCJVTZGFNANOP-UHFFFAOYSA-N 1 1 447.583 4.315 20 0 IIADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001164958717 722051942 /nfs/dbraw/zinc/05/19/42/722051942.db2.gz FSLBHEPFOHQRQK-UHFFFAOYSA-N 1 1 437.613 4.329 20 0 IIADMO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963256 722055628 /nfs/dbraw/zinc/05/56/28/722055628.db2.gz KAQTZZJVWDILNS-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966997 722076427 /nfs/dbraw/zinc/07/64/27/722076427.db2.gz IQPVPYYNXNZZHH-OYRHEFFESA-N 1 1 449.929 4.158 20 0 IIADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966997 722076428 /nfs/dbraw/zinc/07/64/28/722076428.db2.gz IQPVPYYNXNZZHH-OYRHEFFESA-N 1 1 449.929 4.158 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164985206 722098149 /nfs/dbraw/zinc/09/81/49/722098149.db2.gz VKWZYPIUUSGVGP-WBJOIXBTSA-N 1 1 433.600 4.174 20 0 IIADMO Clc1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975005 722110355 /nfs/dbraw/zinc/11/03/55/722110355.db2.gz JFBDYWWBKRNOLN-OXQOHEQNSA-N 1 1 444.366 4.059 20 0 IIADMO Cc1cccc(Sc2cncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164981795 722134674 /nfs/dbraw/zinc/13/46/74/722134674.db2.gz QLODRBAFNFMXIS-JTHBVZDNSA-N 1 1 447.608 4.059 20 0 IIADMO Clc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979588 722150491 /nfs/dbraw/zinc/15/04/91/722150491.db2.gz LKSHWVQVKWUBKZ-JXFKEZNVSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cccc2cc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971227 722158584 /nfs/dbraw/zinc/15/85/84/722158584.db2.gz BDWXJBXRMUBYQZ-AZUAARDMSA-N 1 1 426.923 4.150 20 0 IIADMO CCOC(=O)c1cc2cccnc2nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995735 722199890 /nfs/dbraw/zinc/19/98/90/722199890.db2.gz XMAUECWOZCPSBP-VWLOTQADSA-N 1 1 434.515 4.191 20 0 IIADMO COc1cc2nc(C)nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994490 722200052 /nfs/dbraw/zinc/20/00/52/722200052.db2.gz IFFXDHKQCAVCON-RUZDIDTESA-N 1 1 436.531 4.339 20 0 IIADMO CN(C)c1cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998869 722211983 /nfs/dbraw/zinc/21/19/83/722211983.db2.gz YKNPHSWQVZDFMD-FQEVSTJZSA-N 1 1 439.913 4.125 20 0 IIADMO CN(C)c1cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998869 722211989 /nfs/dbraw/zinc/21/19/89/722211989.db2.gz YKNPHSWQVZDFMD-FQEVSTJZSA-N 1 1 439.913 4.125 20 0 IIADMO COc1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998476 722213728 /nfs/dbraw/zinc/21/37/28/722213728.db2.gz VURDHSRKDWKXPM-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO COc1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998476 722213730 /nfs/dbraw/zinc/21/37/30/722213730.db2.gz VURDHSRKDWKXPM-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165001718 722248144 /nfs/dbraw/zinc/24/81/44/722248144.db2.gz UBXINQXSMWBSBU-OAQYLSRUSA-N 1 1 446.555 4.217 20 0 IIADMO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+][C@](C)(CO)Cc3ccccc3F)cs2)c1 ZINC001460855702 1126192197 /nfs/dbraw/zinc/19/21/97/1126192197.db2.gz CVTMUWLSAHLROB-DEOSSOPVSA-N 1 1 441.572 4.164 20 0 IIADMO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000013473850 562988510 /nfs/dbraw/zinc/98/85/10/562988510.db2.gz CRRXNSJNCQZPSK-LJQANCHMSA-N 1 1 425.285 4.376 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@H]4C3)c2c1C ZINC001164401472 718858456 /nfs/dbraw/zinc/85/84/56/718858456.db2.gz FDPOKPRTZWZNKC-OALUTQOASA-N 1 1 447.608 4.466 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164619075 719067433 /nfs/dbraw/zinc/06/74/33/719067433.db2.gz CGJRAGXDDLHLQW-WMZOPIPTSA-N 1 1 435.902 4.167 20 0 IIADMO c1ccc(CN2CCc3c(ncnc3N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001164627188 719074349 /nfs/dbraw/zinc/07/43/49/719074349.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 1 1 439.607 4.136 20 0 IIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629924 719091814 /nfs/dbraw/zinc/09/18/14/719091814.db2.gz UFUDNYWSOGNYBO-VQIMIIECSA-N 1 1 429.902 4.324 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC001164650529 719295478 /nfs/dbraw/zinc/29/54/78/719295478.db2.gz IONSTFSVFBIDKI-APFRJGHOSA-N 1 1 436.600 4.367 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164652079 719315222 /nfs/dbraw/zinc/31/52/22/719315222.db2.gz NEIZFMUHMYDELF-UHFFFAOYSA-N 1 1 427.556 4.094 20 0 IIADMO CCOc1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164670660 719511423 /nfs/dbraw/zinc/51/14/23/719511423.db2.gz DVZYFOXULPIODM-UHFFFAOYSA-N 1 1 436.531 4.039 20 0 IIADMO CCOc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164670660 719511427 /nfs/dbraw/zinc/51/14/27/719511427.db2.gz DVZYFOXULPIODM-UHFFFAOYSA-N 1 1 436.531 4.039 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164688154 719599460 /nfs/dbraw/zinc/59/94/60/719599460.db2.gz UPEBTQOPBSYLTH-ZJSXRUAMSA-N 1 1 446.599 4.330 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CC2 ZINC001164685709 719726883 /nfs/dbraw/zinc/72/68/83/719726883.db2.gz NGHGIYZWPLSOAY-UHFFFAOYSA-N 1 1 449.986 4.131 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691503 719803330 /nfs/dbraw/zinc/80/33/30/719803330.db2.gz ILJZMDMULDPFMA-UHFFFAOYSA-N 1 1 434.993 4.312 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1C ZINC001164692493 719810663 /nfs/dbraw/zinc/81/06/63/719810663.db2.gz IEZOCSUAHVBMLO-UHFFFAOYSA-N 1 1 428.602 4.275 20 0 IIADMO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164696722 719894645 /nfs/dbraw/zinc/89/46/45/719894645.db2.gz HWYLLRDNJFYJCD-UHFFFAOYSA-N 1 1 443.947 4.221 20 0 IIADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164707918 719910406 /nfs/dbraw/zinc/91/04/06/719910406.db2.gz ZEJGPBUHNOTHRC-UHFFFAOYSA-N 1 1 437.544 4.183 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164710296 720100735 /nfs/dbraw/zinc/10/07/35/720100735.db2.gz IHTHBXDJYOCVPZ-FQEVSTJZSA-N 1 1 437.613 4.211 20 0 IIADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164710656 720105618 /nfs/dbraw/zinc/10/56/18/720105618.db2.gz KODLAOQQOVJBGZ-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164710656 720105626 /nfs/dbraw/zinc/10/56/26/720105626.db2.gz KODLAOQQOVJBGZ-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164715559 720107331 /nfs/dbraw/zinc/10/73/31/720107331.db2.gz HXXLMOJLFASXTG-IBGZPJMESA-N 1 1 426.992 4.126 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164716915 720126352 /nfs/dbraw/zinc/12/63/52/720126352.db2.gz LLYMMSDYHPXQMT-JOCHJYFZSA-N 1 1 446.595 4.454 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164712491 720154368 /nfs/dbraw/zinc/15/43/68/720154368.db2.gz MUOZJICAPBFPHJ-FQEVSTJZSA-N 1 1 449.624 4.254 20 0 IIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711911 720157395 /nfs/dbraw/zinc/15/73/95/720157395.db2.gz DNFMVLQFTUAYFY-PZJWPPBQSA-N 1 1 448.615 4.374 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816846 720171834 /nfs/dbraw/zinc/17/18/34/720171834.db2.gz NEBNKFQVERWRDY-SBUREZEXSA-N 1 1 446.954 4.246 20 0 IIADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc2cc(Cl)ccc12 ZINC001164812243 720228991 /nfs/dbraw/zinc/22/89/91/720228991.db2.gz DPBZWLVHRJRVHU-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813395 720231119 /nfs/dbraw/zinc/23/11/19/720231119.db2.gz NUZOYQKSYNPZTJ-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164813286 720231311 /nfs/dbraw/zinc/23/13/11/720231311.db2.gz MKJJELZVACCZDV-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821744 720389638 /nfs/dbraw/zinc/38/96/38/720389638.db2.gz ILTHLGQBMDWOGA-ZVDOUQERSA-N 1 1 449.020 4.049 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732080 720489237 /nfs/dbraw/zinc/48/92/37/720489237.db2.gz YNSQESWRAKJTTP-SJORKVTESA-N 1 1 433.387 4.022 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732080 720489245 /nfs/dbraw/zinc/48/92/45/720489245.db2.gz YNSQESWRAKJTTP-SJORKVTESA-N 1 1 433.387 4.022 20 0 IIADMO O[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]1Cc1ccccc1 ZINC001164830404 720491664 /nfs/dbraw/zinc/49/16/64/720491664.db2.gz BJPBHLPVDCKEHK-SFTDATJTSA-N 1 1 448.636 4.348 20 0 IIADMO O[C@@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]1Cc1ccccc1 ZINC001164835403 720491936 /nfs/dbraw/zinc/49/19/36/720491936.db2.gz XVOYXQCXTOQETK-LEWJYISDSA-N 1 1 448.636 4.348 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731588 720496203 /nfs/dbraw/zinc/49/62/03/720496203.db2.gz WPIRSQDRSGJYMX-GAJHUEQPSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731588 720496210 /nfs/dbraw/zinc/49/62/10/720496210.db2.gz WPIRSQDRSGJYMX-GAJHUEQPSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)CC[C@@H]21 ZINC001164835000 720539327 /nfs/dbraw/zinc/53/93/27/720539327.db2.gz GOJVQSOZTKDMAB-RLSLOFABSA-N 1 1 441.583 4.199 20 0 IIADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838596 720544914 /nfs/dbraw/zinc/54/49/14/720544914.db2.gz ORRAOUGBRGHMIK-LRXVAGHRSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]21 ZINC001164839161 720548210 /nfs/dbraw/zinc/54/82/10/720548210.db2.gz PRKTUFVSWSARAM-ONTIZHBOSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC[C@@H]21 ZINC001164842203 720591499 /nfs/dbraw/zinc/59/14/99/720591499.db2.gz ULBZRDNBEJGNKJ-MDKPJZGXSA-N 1 1 449.990 4.339 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843600 720613547 /nfs/dbraw/zinc/61/35/47/720613547.db2.gz YMIAAHWBEUZAIQ-IEIRFRATSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164844185 720616490 /nfs/dbraw/zinc/61/64/90/720616490.db2.gz ZSHQOQFHGCBEDY-SGIRGMQISA-N 1 1 430.600 4.335 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(SCc4ccccc4)ncn3)CC[C@@H]21 ZINC001164836310 720624600 /nfs/dbraw/zinc/62/46/00/720624600.db2.gz FSJDLUSKVCZZTL-VABKMULXSA-N 1 1 448.640 4.343 20 0 IIADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164837271 720627665 /nfs/dbraw/zinc/62/76/65/720627665.db2.gz HVZGODCPRSFEIK-QPTUXGOLSA-N 1 1 445.615 4.209 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164844489 720681571 /nfs/dbraw/zinc/68/15/71/720681571.db2.gz SJQQNDOFXFOEAO-KRWDZBQOSA-N 1 1 431.005 4.038 20 0 IIADMO CCOc1ccc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844952 720695077 /nfs/dbraw/zinc/69/50/77/720695077.db2.gz WXJWCSNLQRFGPS-OAQYLSRUSA-N 1 1 432.568 4.288 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164839936 720697369 /nfs/dbraw/zinc/69/73/69/720697369.db2.gz CYLDVZZXMWACTD-JOCHJYFZSA-N 1 1 437.584 4.135 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843808 720702003 /nfs/dbraw/zinc/70/20/03/720702003.db2.gz QZBHMIMMKLSIAZ-QFIPXVFZSA-N 1 1 445.563 4.281 20 0 IIADMO Cc1nc(-c2ccncc2)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839089 720718499 /nfs/dbraw/zinc/71/84/99/720718499.db2.gz KQGYIYRQAJYUBM-HSZRJFAPSA-N 1 1 429.568 4.107 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164846834 720755363 /nfs/dbraw/zinc/75/53/63/720755363.db2.gz KDBRNGZRJMHHMB-UZUQRXQVSA-N 1 1 429.634 4.178 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751881 720856666 /nfs/dbraw/zinc/85/66/66/720856666.db2.gz RLECFMPIXZAMFX-PCCBWWKXSA-N 1 1 436.991 4.168 20 0 IIADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@H]2C1 ZINC001164865278 720874890 /nfs/dbraw/zinc/87/48/90/720874890.db2.gz ZOGSAWJQRIRYNF-DHLKQENFSA-N 1 1 446.595 4.087 20 0 IIADMO Cc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753984 720878749 /nfs/dbraw/zinc/87/87/49/720878749.db2.gz QQGCZDVBTJGRKV-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754590 720879469 /nfs/dbraw/zinc/87/94/69/720879469.db2.gz SBQGTOVLJMEMGX-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO c1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164751742 720881986 /nfs/dbraw/zinc/88/19/86/720881986.db2.gz DDXGVQRQKSVTFP-WIOPSUGQSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164750687 720884841 /nfs/dbraw/zinc/88/48/41/720884841.db2.gz BPOLQNRFJJAOIG-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752826 720897844 /nfs/dbraw/zinc/89/78/44/720897844.db2.gz GAZOLMDQDAXUCR-ATIYNZHBSA-N 1 1 431.584 4.021 20 0 IIADMO Cc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164752294 720909332 /nfs/dbraw/zinc/90/93/32/720909332.db2.gz NVJKYFFMUHZTJB-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164746527 720919544 /nfs/dbraw/zinc/91/95/44/720919544.db2.gz BKGCAIGYRZFQHI-ATIYNZHBSA-N 1 1 432.568 4.286 20 0 IIADMO CSCc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755213 720922196 /nfs/dbraw/zinc/92/21/96/720922196.db2.gz ZUCKQZICNFNDPY-ZCYQVOJMSA-N 1 1 438.641 4.095 20 0 IIADMO Cc1cc2cccnc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753808 720926689 /nfs/dbraw/zinc/92/66/89/720926689.db2.gz UDGZMMXKEZQLJB-SHQCIBLASA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc2cccnc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753806 720927111 /nfs/dbraw/zinc/92/71/11/720927111.db2.gz UDGZMMXKEZQLJB-IGKIAQTJSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@H]2C ZINC001164864181 720993096 /nfs/dbraw/zinc/99/30/96/720993096.db2.gz YWSHSWBKWQVOIJ-IBGZPJMESA-N 1 1 442.567 4.343 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@@H]2C ZINC001164861781 721015637 /nfs/dbraw/zinc/01/56/37/721015637.db2.gz PIGCNLPYKRLOIJ-MRXNPFEDSA-N 1 1 433.585 4.371 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771002 721101142 /nfs/dbraw/zinc/10/11/42/721101142.db2.gz QVPINARJVROTDN-NEPJUHHUSA-N 1 1 435.186 4.387 20 0 IIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867418 721105498 /nfs/dbraw/zinc/10/54/98/721105498.db2.gz YJRGNHQIXDXGND-OALUTQOASA-N 1 1 444.913 4.308 20 0 IIADMO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CC[N@H+](Cc6cnn(C)c6)C[C@H]5C4)c23)cc1 ZINC001164767295 721113369 /nfs/dbraw/zinc/11/33/69/721113369.db2.gz MINJFTBTJONJJG-SFTDATJTSA-N 1 1 444.608 4.359 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874433 721182585 /nfs/dbraw/zinc/18/25/85/721182585.db2.gz JXPKAJJHZPTUFA-PMACEKPBSA-N 1 1 427.980 4.052 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759442 721249066 /nfs/dbraw/zinc/24/90/66/721249066.db2.gz AJGPTADYBIQKNA-MSOLQXFVSA-N 1 1 449.977 4.241 20 0 IIADMO COc1ccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)cc1 ZINC001164774676 721304121 /nfs/dbraw/zinc/30/41/21/721304121.db2.gz HIARWPKSEOAHHG-UHFFFAOYSA-N 1 1 434.918 4.273 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164874586 721325933 /nfs/dbraw/zinc/32/59/33/721325933.db2.gz CGNGOJLQFNCAQM-UHFFFAOYSA-N 1 1 430.286 4.116 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164873722 721326175 /nfs/dbraw/zinc/32/61/75/721326175.db2.gz APJDWUSMRBGJSF-UHFFFAOYSA-N 1 1 430.286 4.116 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164876343 721327970 /nfs/dbraw/zinc/32/79/70/721327970.db2.gz OWLYRLKWIOVRRH-UHFFFAOYSA-N 1 1 439.869 4.115 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164777068 721332907 /nfs/dbraw/zinc/33/29/07/721332907.db2.gz LVCMVHISWAWAQA-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164777068 721332908 /nfs/dbraw/zinc/33/29/08/721332908.db2.gz LVCMVHISWAWAQA-FQEVSTJZSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778279 721347454 /nfs/dbraw/zinc/34/74/54/721347454.db2.gz LYHORCURXVIBOH-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778279 721347456 /nfs/dbraw/zinc/34/74/56/721347456.db2.gz LYHORCURXVIBOH-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)C1 ZINC001164787059 721366254 /nfs/dbraw/zinc/36/62/54/721366254.db2.gz XXHOTFOWFZIKES-AREMUKBSSA-N 1 1 447.583 4.176 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)C1 ZINC001164787059 721366257 /nfs/dbraw/zinc/36/62/57/721366257.db2.gz XXHOTFOWFZIKES-AREMUKBSSA-N 1 1 447.583 4.176 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887102 721401461 /nfs/dbraw/zinc/40/14/61/721401461.db2.gz LAGJXSQMOVMZRD-FDDCHVKYSA-N 1 1 449.426 4.307 20 0 IIADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)n1 ZINC001164787212 721421945 /nfs/dbraw/zinc/42/19/45/721421945.db2.gz PRHRPLSQAADICT-VXKWHMMOSA-N 1 1 448.592 4.209 20 0 IIADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164786795 721426418 /nfs/dbraw/zinc/42/64/18/721426418.db2.gz PQFUECYOHAYLGX-HDICACEKSA-N 1 1 431.540 4.461 20 0 IIADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164786795 721426421 /nfs/dbraw/zinc/42/64/21/721426421.db2.gz PQFUECYOHAYLGX-HDICACEKSA-N 1 1 431.540 4.461 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164787758 721457924 /nfs/dbraw/zinc/45/79/24/721457924.db2.gz SBMZIPAIXUJPIX-GOSISDBHSA-N 1 1 440.053 4.191 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164782713 721460292 /nfs/dbraw/zinc/46/02/92/721460292.db2.gz BCYYAJACNKJZQZ-HXUWFJFHSA-N 1 1 427.564 4.108 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164792965 721496263 /nfs/dbraw/zinc/49/62/63/721496263.db2.gz WMGPTHZQDKELFA-UHFFFAOYSA-N 1 1 428.964 4.188 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)c1 ZINC001164795462 721497804 /nfs/dbraw/zinc/49/78/04/721497804.db2.gz HWOMLTMKQLFPMB-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2)C1 ZINC001164796375 721499797 /nfs/dbraw/zinc/49/97/97/721499797.db2.gz SDRDUVBZWNURGT-NRFANRHFSA-N 1 1 447.627 4.230 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898650 721502029 /nfs/dbraw/zinc/50/20/29/721502029.db2.gz SZQSQNLECKKCTH-DHIUTWEWSA-N 1 1 442.648 4.166 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164796691 721502596 /nfs/dbraw/zinc/50/25/96/721502596.db2.gz VIZHVODOYXBEGX-UHFFFAOYSA-N 1 1 428.584 4.431 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904104 721552366 /nfs/dbraw/zinc/55/23/66/721552366.db2.gz CZWHDAPMNCZAIR-UNMCSNQZSA-N 1 1 441.510 4.173 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904100 721552588 /nfs/dbraw/zinc/55/25/88/721552588.db2.gz CZWHDAPMNCZAIR-RBBKRZOGSA-N 1 1 441.510 4.173 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164800797 721554727 /nfs/dbraw/zinc/55/47/27/721554727.db2.gz FPCXZCURSHUXBS-ZILOHOTNSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164800792 721555335 /nfs/dbraw/zinc/55/53/35/721555335.db2.gz FPCXZCURSHUXBS-XZDHIHRUSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164907009 721563026 /nfs/dbraw/zinc/56/30/26/721563026.db2.gz LUZVEFMXSMKNNI-AZUAARDMSA-N 1 1 447.539 4.234 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@H+]3C2)c1 ZINC001164909187 721566927 /nfs/dbraw/zinc/56/69/27/721566927.db2.gz SPRNLYPONPKNLL-MJGOQNOKSA-N 1 1 437.893 4.336 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164805838 721567372 /nfs/dbraw/zinc/56/73/72/721567372.db2.gz PCGKNDJLVYRFKR-FUPPJEDESA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800411 721568786 /nfs/dbraw/zinc/56/87/86/721568786.db2.gz FLJOHTJCFFVWOV-PWRODBHTSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800411 721568787 /nfs/dbraw/zinc/56/87/87/721568787.db2.gz FLJOHTJCFFVWOV-PWRODBHTSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164803364 721582718 /nfs/dbraw/zinc/58/27/18/721582718.db2.gz HTBSDXFLNQBMNL-MIZPHKNDSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164803364 721582720 /nfs/dbraw/zinc/58/27/20/721582720.db2.gz HTBSDXFLNQBMNL-MIZPHKNDSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164807671 721582828 /nfs/dbraw/zinc/58/28/28/721582828.db2.gz PEXWEJLRSIQHMV-VDKIKQQVSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164807671 721582831 /nfs/dbraw/zinc/58/28/31/721582831.db2.gz PEXWEJLRSIQHMV-VDKIKQQVSA-N 1 1 448.542 4.063 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808324 721588529 /nfs/dbraw/zinc/58/85/29/721588529.db2.gz QOTNQMHMGURCHE-KNTRFNDTSA-N 1 1 429.996 4.215 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@H]12 ZINC001164800078 721588765 /nfs/dbraw/zinc/58/87/65/721588765.db2.gz BNZHWPOKHKHLSI-MZKRTTBSSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@@H]12 ZINC001164808335 721589950 /nfs/dbraw/zinc/58/99/50/721589950.db2.gz QSSNSKSGXPBQPB-JXHRLWIKSA-N 1 1 426.923 4.291 20 0 IIADMO FC1(F)CCN(c2nnc(Cl)c3ccsc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906179 721693866 /nfs/dbraw/zinc/69/38/66/721693866.db2.gz LXDQJVJNVZZGQP-LJQANCHMSA-N 1 1 435.931 4.477 20 0 IIADMO CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907113 721695223 /nfs/dbraw/zinc/69/52/23/721695223.db2.gz SDHQQVBYUJQMRZ-NRFANRHFSA-N 1 1 449.933 4.028 20 0 IIADMO FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908919 721708836 /nfs/dbraw/zinc/70/88/36/721708836.db2.gz ZMGLYOJCYVTQKM-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911806 721733273 /nfs/dbraw/zinc/73/32/73/721733273.db2.gz KLFXEIUEZHIRGC-NRFANRHFSA-N 1 1 427.524 4.338 20 0 IIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccccn2)n1 ZINC001164912209 721761015 /nfs/dbraw/zinc/76/10/15/721761015.db2.gz VKOJQVUGOIPCAF-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccccn2)n1 ZINC001164912209 721761016 /nfs/dbraw/zinc/76/10/16/721761016.db2.gz VKOJQVUGOIPCAF-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024648 721798593 /nfs/dbraw/zinc/79/85/93/721798593.db2.gz MPTRQNQCDOKFAO-DBVUQKKJSA-N 1 1 428.964 4.044 20 0 IIADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026615 721799303 /nfs/dbraw/zinc/79/93/03/721799303.db2.gz ROFTUYUCCGHDDD-SAWYMBPVSA-N 1 1 437.975 4.424 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028979 721818007 /nfs/dbraw/zinc/81/80/07/721818007.db2.gz YIAYOUMWDYXRMN-NGYIFUPDSA-N 1 1 430.552 4.153 20 0 IIADMO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165026797 721820450 /nfs/dbraw/zinc/82/04/50/721820450.db2.gz RDWZWRDSXHMEQX-ILZDJORESA-N 1 1 428.964 4.044 20 0 IIADMO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027061 721822261 /nfs/dbraw/zinc/82/22/61/721822261.db2.gz RLRAZSKXMBOAFM-TUACAJSNSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]21 ZINC001165024705 721822724 /nfs/dbraw/zinc/82/27/24/721822724.db2.gz KYVFEIOILWDAGD-ZTFGCOKTSA-N 1 1 443.382 4.464 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1)C1CC1 ZINC001165018873 721822744 /nfs/dbraw/zinc/82/27/44/721822744.db2.gz AOLZKMFUBHKVNH-VLYJIQRVSA-N 1 1 448.611 4.270 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2)C1 ZINC001165027039 721823622 /nfs/dbraw/zinc/82/36/22/721823622.db2.gz RFBUPNQLBANWMX-BESOESOGSA-N 1 1 447.627 4.086 20 0 IIADMO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027572 721824283 /nfs/dbraw/zinc/82/42/83/721824283.db2.gz SRKNOAOTXOGLLW-BPUDTRNYSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@H]21 ZINC001165029500 721828049 /nfs/dbraw/zinc/82/80/49/721828049.db2.gz WXVRYIMJVWERCX-QUURXOELSA-N 1 1 440.595 4.159 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(Cl)nc2)CC1 ZINC001165017926 721837378 /nfs/dbraw/zinc/83/73/78/721837378.db2.gz SAMIWZDNVTYNHL-UHFFFAOYSA-N 1 1 425.907 4.398 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(C)n2)CC1 ZINC001165022169 721838949 /nfs/dbraw/zinc/83/89/49/721838949.db2.gz PXKJXALZZRRMNB-UHFFFAOYSA-N 1 1 440.922 4.101 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927412 721868101 /nfs/dbraw/zinc/86/81/01/721868101.db2.gz UYNUOOGLRWCQDK-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927412 721868102 /nfs/dbraw/zinc/86/81/02/721868102.db2.gz UYNUOOGLRWCQDK-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)CC3)C2)cc1 ZINC001164939309 721922306 /nfs/dbraw/zinc/92/23/06/721922306.db2.gz HTAKPDXJIULHDD-UHFFFAOYSA-N 1 1 437.584 4.217 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(C)nc(Cl)n4)CC3)C2)cc1 ZINC001164940594 721924285 /nfs/dbraw/zinc/92/42/85/721924285.db2.gz UNIRIJIGYAMCRW-UHFFFAOYSA-N 1 1 436.934 4.163 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(Cl)c1 ZINC001164939896 721926490 /nfs/dbraw/zinc/92/64/90/721926490.db2.gz PFYSHBBDXHHVOM-UHFFFAOYSA-N 1 1 443.975 4.092 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2)cc1 ZINC001164940001 721927796 /nfs/dbraw/zinc/92/77/96/721927796.db2.gz PLBWCKPMGBBMHZ-UHFFFAOYSA-N 1 1 444.579 4.235 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939998 721929772 /nfs/dbraw/zinc/92/97/72/721929772.db2.gz PHBGCRXHQQSYPO-UHFFFAOYSA-N 1 1 439.991 4.354 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164950404 721980790 /nfs/dbraw/zinc/98/07/90/721980790.db2.gz SQJXRNWURCYUPL-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164950404 721980791 /nfs/dbraw/zinc/98/07/91/721980791.db2.gz SQJXRNWURCYUPL-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164948667 721998452 /nfs/dbraw/zinc/99/84/52/721998452.db2.gz ADCUFYPQHOQONY-QHCPKHFHSA-N 1 1 432.572 4.209 20 0 IIADMO COCc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164953312 722013035 /nfs/dbraw/zinc/01/30/35/722013035.db2.gz DYTBKGDAUWEPIF-UHFFFAOYSA-N 1 1 429.568 4.178 20 0 IIADMO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955445 722022989 /nfs/dbraw/zinc/02/29/89/722022989.db2.gz HDAJFGIUTULZQD-UHFFFAOYSA-N 1 1 442.563 4.326 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164958300 722030056 /nfs/dbraw/zinc/03/00/56/722030056.db2.gz OMMSBJQSOHGPEU-GBAAUQCPSA-N 1 1 440.563 4.368 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986250 722107629 /nfs/dbraw/zinc/10/76/29/722107629.db2.gz YNYVDLQSVWAQQO-GDBMZVCRSA-N 1 1 427.763 4.164 20 0 IIADMO Clc1cnc2cc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978190 722112376 /nfs/dbraw/zinc/11/23/76/722112376.db2.gz NTAZBNJOOBGGIR-HRAATJIYSA-N 1 1 444.366 4.059 20 0 IIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982190 722116479 /nfs/dbraw/zinc/11/64/79/722116479.db2.gz WGMLMMVYAUBXFU-RDJZCZTQSA-N 1 1 443.325 4.056 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984193 722130885 /nfs/dbraw/zinc/13/08/85/722130885.db2.gz WIFYVBWNFUHEJU-PGRDOPGGSA-N 1 1 438.959 4.019 20 0 IIADMO CCOC(=O)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995473 722199164 /nfs/dbraw/zinc/19/91/64/722199164.db2.gz VCIRFIJRTQEFCX-DEOSSOPVSA-N 1 1 427.520 4.041 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996670 722206485 /nfs/dbraw/zinc/20/64/85/722206485.db2.gz VBRKTPWSGKLOSG-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996670 722206486 /nfs/dbraw/zinc/20/64/86/722206486.db2.gz VBRKTPWSGKLOSG-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001560954382 1126214204 /nfs/dbraw/zinc/21/42/04/1126214204.db2.gz OOYJBKILGNLHBG-QHCPKHFHSA-N 1 1 443.544 4.059 20 0 IIADMO OCC[C@@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164392373 718811437 /nfs/dbraw/zinc/81/14/37/718811437.db2.gz MCOHERZPQDQWMT-QGZVFWFLSA-N 1 1 426.630 4.155 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5COC[C@@H]5C4)c23)C1 ZINC001164387825 718819284 /nfs/dbraw/zinc/81/92/84/718819284.db2.gz IXISRKAUFWOCJA-SQNIBIBYSA-N 1 1 426.630 4.275 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164423039 718929771 /nfs/dbraw/zinc/92/97/71/718929771.db2.gz DBMOEYOMKKMUDU-HYVNUMGLSA-N 1 1 448.583 4.272 20 0 IIADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164439023 718992109 /nfs/dbraw/zinc/99/21/09/718992109.db2.gz AQPQVJMSJLMTBX-INIZCTEOSA-N 1 1 436.629 4.327 20 0 IIADMO O=C(c1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCCC1 ZINC001164629074 719064963 /nfs/dbraw/zinc/06/49/63/719064963.db2.gz VJEJHWKAPLABLB-IRLDBZIGSA-N 1 1 439.003 4.462 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619073 719067183 /nfs/dbraw/zinc/06/71/83/719067183.db2.gz CGJRAGXDDLHLQW-SJLPKXTDSA-N 1 1 435.902 4.167 20 0 IIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618468 719077464 /nfs/dbraw/zinc/07/74/64/719077464.db2.gz AQBOBJIXIOOIQD-DLBZAZTESA-N 1 1 447.004 4.129 20 0 IIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629923 719091993 /nfs/dbraw/zinc/09/19/93/719091993.db2.gz UFUDNYWSOGNYBO-QFBILLFUSA-N 1 1 429.902 4.324 20 0 IIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@@H]3C2)cc1 ZINC001164624232 719098092 /nfs/dbraw/zinc/09/80/92/719098092.db2.gz DQYNZZTVCNHYDB-JTHBVZDNSA-N 1 1 428.536 4.016 20 0 IIADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164622313 719103950 /nfs/dbraw/zinc/10/39/50/719103950.db2.gz BROUMYALJZRZOA-YKSBVNFPSA-N 1 1 430.552 4.262 20 0 IIADMO COC(=O)c1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccc2c1OC ZINC001164628790 719104208 /nfs/dbraw/zinc/10/42/08/719104208.db2.gz OGCQOBRHTYKCPP-KNQAVFIVSA-N 1 1 431.536 4.131 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CC2 ZINC001164651194 719316330 /nfs/dbraw/zinc/31/63/30/719316330.db2.gz IEEPZJCROSYPJK-UHFFFAOYSA-N 1 1 449.584 4.262 20 0 IIADMO COc1ccc(Cc2c(C)nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2C)cc1 ZINC001164650443 719316849 /nfs/dbraw/zinc/31/68/49/719316849.db2.gz DNRUORGXGDKFLR-UHFFFAOYSA-N 1 1 448.615 4.095 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164650148 719316936 /nfs/dbraw/zinc/31/69/36/719316936.db2.gz ANYOSSWJXKACBP-UHFFFAOYSA-N 1 1 433.585 4.155 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(NC(=O)OC(C)(C)C)ncn2)CC3)cs1 ZINC001164691778 719805408 /nfs/dbraw/zinc/80/54/08/719805408.db2.gz JXGJEYLKAPVIIC-UHFFFAOYSA-N 1 1 444.605 4.224 20 0 IIADMO CSc1nc2c(c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)n1)CCCC2 ZINC001164694483 719808067 /nfs/dbraw/zinc/80/80/67/719808067.db2.gz YUTFMUYBLPDLLQ-UHFFFAOYSA-N 1 1 429.659 4.477 20 0 IIADMO COc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(Cl)n1 ZINC001164696058 719887721 /nfs/dbraw/zinc/88/77/21/719887721.db2.gz VRDXHWAABDUOIZ-UHFFFAOYSA-N 1 1 443.947 4.221 20 0 IIADMO FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696109 719891815 /nfs/dbraw/zinc/89/18/15/719891815.db2.gz XKFWLORCFNOZSX-UHFFFAOYSA-N 1 1 443.947 4.135 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164712098 720100297 /nfs/dbraw/zinc/10/02/97/720100297.db2.gz VLLVRQBTWHCXMO-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164719602 720108867 /nfs/dbraw/zinc/10/88/67/720108867.db2.gz ZKJHSYHSDBJQQR-HXUWFJFHSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164715519 720110430 /nfs/dbraw/zinc/11/04/30/720110430.db2.gz GWWIOVZYYIMFDJ-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813907 720111146 /nfs/dbraw/zinc/11/11/46/720111146.db2.gz RPIUFLGVZYIMBC-AMGIVPHBSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164710530 720132762 /nfs/dbraw/zinc/13/27/62/720132762.db2.gz CBOYVCKTODRTDN-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164714808 720149970 /nfs/dbraw/zinc/14/99/70/720149970.db2.gz ZIMCHZBWVCYOMK-QFIPXVFZSA-N 1 1 445.567 4.171 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817473 720153578 /nfs/dbraw/zinc/15/35/78/720153578.db2.gz PNWJYUYZHFYTIM-OFVILXPXSA-N 1 1 442.003 4.499 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812971 720156250 /nfs/dbraw/zinc/15/62/50/720156250.db2.gz BCBPBYZMIQOTFY-WNCULLNHSA-N 1 1 449.595 4.028 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816678 720182636 /nfs/dbraw/zinc/18/26/36/720182636.db2.gz MEEMXTLBMGDLKX-AJTFRIOCSA-N 1 1 428.580 4.482 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164726216 720317855 /nfs/dbraw/zinc/31/78/55/720317855.db2.gz YNYHKSRXWWECCQ-GMAHTHKFSA-N 1 1 438.620 4.036 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164735725 720436154 /nfs/dbraw/zinc/43/61/54/720436154.db2.gz YCEWAZLJROIKRZ-ROUUACIJSA-N 1 1 425.895 4.310 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733274 720503786 /nfs/dbraw/zinc/50/37/86/720503786.db2.gz ZOICGZKGASCXPF-MVERNJQCSA-N 1 1 449.599 4.038 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001164736413 720539398 /nfs/dbraw/zinc/53/93/98/720539398.db2.gz XUZNKDDHCNNVNW-RDPSFJRHSA-N 1 1 442.991 4.180 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164844184 720615384 /nfs/dbraw/zinc/61/53/84/720615384.db2.gz ZSHQOQFHGCBEDY-OTNCWRBYSA-N 1 1 430.600 4.335 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]21 ZINC001164839306 720631828 /nfs/dbraw/zinc/63/18/28/720631828.db2.gz NEXSMUNGICZNFR-VJBWXMMDSA-N 1 1 448.640 4.343 20 0 IIADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838181 720636602 /nfs/dbraw/zinc/63/66/02/720636602.db2.gz KHDYQRDZZWXYGU-HSALFYBXSA-N 1 1 431.028 4.211 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccnc(CSc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842725 720640604 /nfs/dbraw/zinc/64/06/04/720640604.db2.gz VHEXHCRGMJEPEC-FUPPJEDESA-N 1 1 448.640 4.343 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164842668 720694884 /nfs/dbraw/zinc/69/48/84/720694884.db2.gz MKPQODBLXBMLEA-KRWDZBQOSA-N 1 1 444.004 4.308 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164843361 720697851 /nfs/dbraw/zinc/69/78/51/720697851.db2.gz ONOPVMCIAFAFCK-SFHVURJKSA-N 1 1 436.934 4.122 20 0 IIADMO CSc1nc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2s1 ZINC001164837572 720703369 /nfs/dbraw/zinc/70/33/69/720703369.db2.gz DTGPMKULPHBUPE-QGZVFWFLSA-N 1 1 441.626 4.068 20 0 IIADMO Cc1nc(-c2ccncc2)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839091 720719302 /nfs/dbraw/zinc/71/93/02/720719302.db2.gz KQGYIYRQAJYUBM-QHCPKHFHSA-N 1 1 429.568 4.107 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164848921 720755348 /nfs/dbraw/zinc/75/53/48/720755348.db2.gz QYRPLTDIOLFARM-UUOWRZLLSA-N 1 1 441.645 4.322 20 0 IIADMO COC[C@@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164851027 720827748 /nfs/dbraw/zinc/82/77/48/720827748.db2.gz WEWDSJSJDYJATE-DVECYGJZSA-N 1 1 444.645 4.316 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745165 720833925 /nfs/dbraw/zinc/83/39/25/720833925.db2.gz MCBAUFLBCJSLRR-XQBPLPMBSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1C ZINC001164745779 720849536 /nfs/dbraw/zinc/84/95/36/720849536.db2.gz NJWZEDAMRODZLE-CQOQZXRMSA-N 1 1 430.600 4.131 20 0 IIADMO Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751678 720872007 /nfs/dbraw/zinc/87/20/07/720872007.db2.gz LWPDTEICPXOIBZ-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164750013 720882254 /nfs/dbraw/zinc/88/22/54/720882254.db2.gz IHNNPCXLFADIMS-BKMJKUGQSA-N 1 1 431.584 4.021 20 0 IIADMO Fc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758127 720887425 /nfs/dbraw/zinc/88/74/25/720887425.db2.gz WZYDWKOCGWSANF-AUSIDOKSSA-N 1 1 430.955 4.024 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860624 720901804 /nfs/dbraw/zinc/90/18/04/720901804.db2.gz SHTNVENELRKUCY-FKCDAAJZSA-N 1 1 448.611 4.186 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755108 720918181 /nfs/dbraw/zinc/91/81/81/720918181.db2.gz YKEYEUQDBRMFNS-KCWPFWIISA-N 1 1 449.643 4.233 20 0 IIADMO CSCc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755206 720923286 /nfs/dbraw/zinc/92/32/86/720923286.db2.gz ZUCKQZICNFNDPY-ILBGXUMGSA-N 1 1 438.641 4.095 20 0 IIADMO CSCc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750131 720928767 /nfs/dbraw/zinc/92/87/67/720928767.db2.gz JGDQUCQOGAKVFZ-ZCYQVOJMSA-N 1 1 438.641 4.095 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1Cl ZINC001164856182 720942012 /nfs/dbraw/zinc/94/20/12/720942012.db2.gz CEHNPTFTWROCAA-CYBMUJFWSA-N 1 1 440.375 4.183 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@@H]2C ZINC001164864182 720992383 /nfs/dbraw/zinc/99/23/83/720992383.db2.gz YWSHSWBKWQVOIJ-LJQANCHMSA-N 1 1 442.567 4.343 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@H]2C ZINC001164859702 720998585 /nfs/dbraw/zinc/99/85/85/720998585.db2.gz LOHRIXSWFKFGAA-IBGZPJMESA-N 1 1 433.604 4.238 20 0 IIADMO c1ccc(-c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865380 721083064 /nfs/dbraw/zinc/08/30/64/721083064.db2.gz KQNGVEJGKCDRJY-PKTZIBPZSA-N 1 1 437.547 4.172 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770991 721161760 /nfs/dbraw/zinc/16/17/60/721161760.db2.gz RUDRKUJJFXDVDR-XZOQPEGZSA-N 1 1 438.579 4.297 20 0 IIADMO Cc1sc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164773833 721201004 /nfs/dbraw/zinc/20/10/04/721201004.db2.gz XIZFXZHFJTZHSQ-SFTDATJTSA-N 1 1 444.608 4.359 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772366 721202963 /nfs/dbraw/zinc/20/29/63/721202963.db2.gz TVVTVAGKOSTONY-AZUAARDMSA-N 1 1 430.581 4.050 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)s1 ZINC001164772334 721211635 /nfs/dbraw/zinc/21/16/35/721211635.db2.gz SHRVXHCNVQEOKW-PMACEKPBSA-N 1 1 444.608 4.359 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760718 721246488 /nfs/dbraw/zinc/24/64/88/721246488.db2.gz GHZKTCHNSIYOFA-DLBZAZTESA-N 1 1 447.917 4.232 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778218 721345441 /nfs/dbraw/zinc/34/54/41/721345441.db2.gz LHNRVVARULEFSM-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778218 721345443 /nfs/dbraw/zinc/34/54/43/721345443.db2.gz LHNRVVARULEFSM-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1CN1CCOC[C@]2(CCC[N@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786136 721377077 /nfs/dbraw/zinc/37/70/77/721377077.db2.gz SRZUQGNZEQTHSE-HSZRJFAPSA-N 1 1 432.996 4.190 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786136 721377081 /nfs/dbraw/zinc/37/70/81/721377081.db2.gz SRZUQGNZEQTHSE-HSZRJFAPSA-N 1 1 432.996 4.190 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164786136 721377086 /nfs/dbraw/zinc/37/70/86/721377086.db2.gz SRZUQGNZEQTHSE-HSZRJFAPSA-N 1 1 432.996 4.190 20 0 IIADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)n1 ZINC001164784945 721408025 /nfs/dbraw/zinc/40/80/25/721408025.db2.gz LXSZRNBZKVRHAI-SFTDATJTSA-N 1 1 440.576 4.230 20 0 IIADMO Fc1ccc(-c2nnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164786798 721426582 /nfs/dbraw/zinc/42/65/82/721426582.db2.gz PQFUECYOHAYLGX-QZTJIDSGSA-N 1 1 431.540 4.461 20 0 IIADMO Clc1ccc(-c2nc3c(c(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164786370 721433003 /nfs/dbraw/zinc/43/30/03/721433003.db2.gz OPFBDSZQXOMMKJ-ZIAGYGMSSA-N 1 1 444.029 4.372 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164784506 721452861 /nfs/dbraw/zinc/45/28/61/721452861.db2.gz FUJIHOKRLRERQL-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164785051 721455677 /nfs/dbraw/zinc/45/56/77/721455677.db2.gz GDFZARATOFTKQC-HXUWFJFHSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164786900 721457760 /nfs/dbraw/zinc/45/77/60/721457760.db2.gz QKAJWKCXZDIFPN-QFIPXVFZSA-N 1 1 427.564 4.108 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164782795 721460918 /nfs/dbraw/zinc/46/09/18/721460918.db2.gz CDNPZTTVGULWSV-NRFANRHFSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc(F)c3n1)CC2 ZINC001164784429 721464016 /nfs/dbraw/zinc/46/40/16/721464016.db2.gz IAEDINOZXQLTKE-OAQYLSRUSA-N 1 1 427.564 4.108 20 0 IIADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795089 721498619 /nfs/dbraw/zinc/49/86/19/721498619.db2.gz CVUIHKOYJXOVBN-ARJAWSKDSA-N 1 1 445.567 4.025 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1)C1CC1 ZINC001164796377 721499137 /nfs/dbraw/zinc/49/91/37/721499137.db2.gz SETQRWJVMGUCNM-DEOSSOPVSA-N 1 1 448.611 4.414 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@H]12 ZINC001164796527 721524959 /nfs/dbraw/zinc/52/49/59/721524959.db2.gz ZKIMPZFUSZKBEW-VWPQPMDRSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808379 721529124 /nfs/dbraw/zinc/52/91/24/721529124.db2.gz RUCHUVOTSZVZEW-KZNAEPCWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808379 721529128 /nfs/dbraw/zinc/52/91/28/721529128.db2.gz RUCHUVOTSZVZEW-KZNAEPCWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801360 721540650 /nfs/dbraw/zinc/54/06/50/721540650.db2.gz FANOSKLAOBVQSL-RKVPGOIHSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801360 721540652 /nfs/dbraw/zinc/54/06/52/721540652.db2.gz FANOSKLAOBVQSL-RKVPGOIHSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801354 721541079 /nfs/dbraw/zinc/54/10/79/721541079.db2.gz FANOSKLAOBVQSL-DAYGRLMNSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801354 721541082 /nfs/dbraw/zinc/54/10/82/721541082.db2.gz FANOSKLAOBVQSL-DAYGRLMNSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164807806 721553339 /nfs/dbraw/zinc/55/33/39/721553339.db2.gz RJXNTIQIEJIWNT-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164807806 721553341 /nfs/dbraw/zinc/55/33/41/721553341.db2.gz RJXNTIQIEJIWNT-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164807807 721553713 /nfs/dbraw/zinc/55/37/13/721553713.db2.gz RJXNTIQIEJIWNT-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164807807 721553715 /nfs/dbraw/zinc/55/37/15/721553715.db2.gz RJXNTIQIEJIWNT-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810497 721553951 /nfs/dbraw/zinc/55/39/51/721553951.db2.gz YNJWFHKOGZJWOL-FUDKSRODSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164800784 721554829 /nfs/dbraw/zinc/55/48/29/721554829.db2.gz FPCXZCURSHUXBS-LEEZEASISA-N 1 1 435.959 4.060 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906568 721555115 /nfs/dbraw/zinc/55/51/15/721555115.db2.gz KCKUPUHNTLCLOM-PZJWPPBQSA-N 1 1 445.498 4.074 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164908663 721565175 /nfs/dbraw/zinc/56/51/75/721565175.db2.gz RLKUTPIEGXJJLY-PZJWPPBQSA-N 1 1 436.556 4.250 20 0 IIADMO CCCCOc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806798 721572567 /nfs/dbraw/zinc/57/25/67/721572567.db2.gz RTPJFMFGJGERQI-FDFHNCONSA-N 1 1 430.980 4.177 20 0 IIADMO 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 721575502 /nfs/dbraw/zinc/57/55/02/721575502.db2.gz CYAJMDAOUWRLPV-MZKRTTBSSA-N 1 1 437.632 4.335 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c1 ZINC001164807659 721581343 /nfs/dbraw/zinc/58/13/43/721581343.db2.gz PDOYQTDXIQJVCB-USZFVNFHSA-N 1 1 429.568 4.024 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c1 ZINC001164807659 721581344 /nfs/dbraw/zinc/58/13/44/721581344.db2.gz PDOYQTDXIQJVCB-USZFVNFHSA-N 1 1 429.568 4.024 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164807668 721582868 /nfs/dbraw/zinc/58/28/68/721582868.db2.gz PEXWEJLRSIQHMV-JBRSBNLGSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164807668 721582870 /nfs/dbraw/zinc/58/28/70/721582870.db2.gz PEXWEJLRSIQHMV-JBRSBNLGSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806173 721587180 /nfs/dbraw/zinc/58/71/80/721587180.db2.gz MCNYPMHCESGMAB-CQOQZXRMSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806173 721587183 /nfs/dbraw/zinc/58/71/83/721587183.db2.gz MCNYPMHCESGMAB-CQOQZXRMSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810845 721588398 /nfs/dbraw/zinc/58/83/98/721588398.db2.gz WKJOTHBJYHTWSU-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810845 721588399 /nfs/dbraw/zinc/58/83/99/721588399.db2.gz WKJOTHBJYHTWSU-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164800057 721590866 /nfs/dbraw/zinc/59/08/66/721590866.db2.gz BKTUCLNFQZKZQS-WAOWUJCRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164800057 721590869 /nfs/dbraw/zinc/59/08/69/721590869.db2.gz BKTUCLNFQZKZQS-WAOWUJCRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164800860 721591625 /nfs/dbraw/zinc/59/16/25/721591625.db2.gz CVVIPGSOGYOQEW-TUNNFDKTSA-N 1 1 448.945 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164800860 721591626 /nfs/dbraw/zinc/59/16/26/721591626.db2.gz CVVIPGSOGYOQEW-TUNNFDKTSA-N 1 1 448.945 4.032 20 0 IIADMO Fc1ccc(-c2nn(-c3nc(Cl)ccc3CN3CCCC3)c3c2CC[NH2+]CC3)cc1 ZINC001164804458 721597168 /nfs/dbraw/zinc/59/71/68/721597168.db2.gz YPBKKFGBPNABDB-UHFFFAOYSA-N 1 1 425.939 4.011 20 0 IIADMO FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908427 721696605 /nfs/dbraw/zinc/69/66/05/721696605.db2.gz ZDBRIIKHHXMNOQ-LJQANCHMSA-N 1 1 437.947 4.010 20 0 IIADMO FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904867 721699971 /nfs/dbraw/zinc/69/99/71/721699971.db2.gz HCGMXDRBQDSDRH-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908323 721710493 /nfs/dbraw/zinc/71/04/93/721710493.db2.gz WZKPXTFBHSXETL-HSZRJFAPSA-N 1 1 434.494 4.244 20 0 IIADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910578 721728565 /nfs/dbraw/zinc/72/85/65/721728565.db2.gz GMGBVCFJROGOOV-QFIPXVFZSA-N 1 1 425.483 4.178 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908877 721744632 /nfs/dbraw/zinc/74/46/32/721744632.db2.gz NGNOACQJBOWCIZ-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908877 721744639 /nfs/dbraw/zinc/74/46/39/721744639.db2.gz NGNOACQJBOWCIZ-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c(Cl)nc2c1 ZINC001164907849 721752580 /nfs/dbraw/zinc/75/25/80/721752580.db2.gz BSHVSDDEBBSIEF-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c(Cl)nc2c1 ZINC001164907849 721752584 /nfs/dbraw/zinc/75/25/84/721752584.db2.gz BSHVSDDEBBSIEF-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1ccc2nc(Cl)cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2n1 ZINC001164910081 721755514 /nfs/dbraw/zinc/75/55/14/721755514.db2.gz LEWCMBQXOGRWBS-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1ccc2nc(Cl)cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2n1 ZINC001164910081 721755520 /nfs/dbraw/zinc/75/55/20/721755520.db2.gz LEWCMBQXOGRWBS-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2)n1 ZINC001164910563 721763527 /nfs/dbraw/zinc/76/35/27/721763527.db2.gz IGVPZIHRPMYWTK-UHFFFAOYSA-N 1 1 444.539 4.438 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2)n1 ZINC001164910563 721763532 /nfs/dbraw/zinc/76/35/32/721763532.db2.gz IGVPZIHRPMYWTK-UHFFFAOYSA-N 1 1 444.539 4.438 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(-c3ccc(F)cc3)n1)C2 ZINC001164912295 721764384 /nfs/dbraw/zinc/76/43/84/721764384.db2.gz XSAMLKHASMCBLN-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(-c3ccc(F)cc3)n1)C2 ZINC001164912295 721764387 /nfs/dbraw/zinc/76/43/87/721764387.db2.gz XSAMLKHASMCBLN-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164910617 721764441 /nfs/dbraw/zinc/76/44/41/721764441.db2.gz JHULJSMIXJRYHV-UHFFFAOYSA-N 1 1 442.523 4.192 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164910617 721764442 /nfs/dbraw/zinc/76/44/42/721764442.db2.gz JHULJSMIXJRYHV-UHFFFAOYSA-N 1 1 442.523 4.192 20 0 IIADMO COCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001165027313 721802551 /nfs/dbraw/zinc/80/25/51/721802551.db2.gz VLIXZNKCKKUIMZ-GPUOULLFSA-N 1 1 443.595 4.422 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026924 721802781 /nfs/dbraw/zinc/80/27/81/721802781.db2.gz SNTNFFLMIRRXHC-CWRNSKLLSA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@H]21 ZINC001165020321 721805776 /nfs/dbraw/zinc/80/57/76/721805776.db2.gz FDEPDAOCGKDFBR-YSVLISHTSA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]21 ZINC001165020682 721813147 /nfs/dbraw/zinc/81/31/47/721813147.db2.gz CLWBFOWWBOVMDU-FTBPSBKWSA-N 1 1 441.579 4.466 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]21 ZINC001165020684 721813259 /nfs/dbraw/zinc/81/32/59/721813259.db2.gz CLWBFOWWBOVMDU-GVXSCFBNSA-N 1 1 441.579 4.466 20 0 IIADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2n1 ZINC001165025263 721814434 /nfs/dbraw/zinc/81/44/34/721814434.db2.gz MBUWPUSWHYOXNB-XKGZKEIXSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]21 ZINC001165018822 721820187 /nfs/dbraw/zinc/82/01/87/721820187.db2.gz ALPQDEDSBSMVTI-NQHRYMMQSA-N 1 1 425.580 4.374 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1)C1CC1 ZINC001165018866 721822254 /nfs/dbraw/zinc/82/22/54/721822254.db2.gz AOLZKMFUBHKVNH-BELIEFIBSA-N 1 1 448.611 4.270 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165026779 721823609 /nfs/dbraw/zinc/82/36/09/721823609.db2.gz QGSSBCXLQBCUML-FTBPSBKWSA-N 1 1 447.627 4.086 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165029657 721827667 /nfs/dbraw/zinc/82/76/67/721827667.db2.gz XKSOSDHJEIJEFG-OEMFJLHTSA-N 1 1 428.584 4.287 20 0 IIADMO CCCSc1ncnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165020746 721831294 /nfs/dbraw/zinc/83/12/94/721831294.db2.gz DOVFGXVDQKGQQE-IHPCNDPISA-N 1 1 427.618 4.119 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccnc(Cl)c2)CC1 ZINC001165021314 721837652 /nfs/dbraw/zinc/83/76/52/721837652.db2.gz LLAQSWMCGMUPMD-UHFFFAOYSA-N 1 1 425.907 4.398 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)cc1 ZINC001164938635 721930136 /nfs/dbraw/zinc/93/01/36/721930136.db2.gz CANRUKPWEMPYRV-UHFFFAOYSA-N 1 1 434.609 4.360 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164938711 721930766 /nfs/dbraw/zinc/93/07/66/721930766.db2.gz FGQYYGRVCSOJJA-UHFFFAOYSA-N 1 1 429.568 4.027 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2)cc1 ZINC001164939653 721932405 /nfs/dbraw/zinc/93/24/05/721932405.db2.gz NPCHOYWKWOQLNN-UHFFFAOYSA-N 1 1 435.616 4.037 20 0 IIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ccc1-c1ccccc1)CC2 ZINC001164945105 721974047 /nfs/dbraw/zinc/97/40/47/721974047.db2.gz OYIASHOONSZLPG-UHFFFAOYSA-N 1 1 446.982 4.373 20 0 IIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ccc1-c1ccccc1)CC2 ZINC001164945105 721974049 /nfs/dbraw/zinc/97/40/49/721974049.db2.gz OYIASHOONSZLPG-UHFFFAOYSA-N 1 1 446.982 4.373 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C ZINC001164953753 722017122 /nfs/dbraw/zinc/01/71/22/722017122.db2.gz YAYRAORVVKSYFZ-UHFFFAOYSA-N 1 1 428.964 4.108 20 0 IIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955617 722020689 /nfs/dbraw/zinc/02/06/89/722020689.db2.gz KLFLLHMGGSXNLO-UHFFFAOYSA-N 1 1 444.917 4.111 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)o2)cc1 ZINC001164955417 722022530 /nfs/dbraw/zinc/02/25/30/722022530.db2.gz FXTFENJFIWYBCA-UHFFFAOYSA-N 1 1 440.551 4.481 20 0 IIADMO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966325 722062100 /nfs/dbraw/zinc/06/21/00/722062100.db2.gz QXHXIOWFKWMHET-UHFFFAOYSA-N 1 1 442.007 4.220 20 0 IIADMO Clc1nc2sc(-c3ccccc3)cc2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967163 722074075 /nfs/dbraw/zinc/07/40/75/722074075.db2.gz MACQYPGGNZIZAT-CALCHBBNSA-N 1 1 426.973 4.311 20 0 IIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984709 722103086 /nfs/dbraw/zinc/10/30/86/722103086.db2.gz UCKWAKQNWWQVLY-YJBOKZPZSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986255 722107363 /nfs/dbraw/zinc/10/73/63/722107363.db2.gz YNYVDLQSVWAQQO-HOCLYGCPSA-N 1 1 427.763 4.164 20 0 IIADMO Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164970907 722112085 /nfs/dbraw/zinc/11/20/85/722112085.db2.gz AMFFNPNXLJBSEE-LPHOPBHVSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970909 722112194 /nfs/dbraw/zinc/11/21/94/722112194.db2.gz AMFFNPNXLJBSEE-QFBILLFUSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978257 722119286 /nfs/dbraw/zinc/11/92/86/722119286.db2.gz OCKSIUAPRXFONV-RXVVDRJESA-N 1 1 426.923 4.150 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982471 722128738 /nfs/dbraw/zinc/12/87/38/722128738.db2.gz WPOYLCBGSGVXNY-UGKGYDQZSA-N 1 1 437.975 4.022 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976088 722144593 /nfs/dbraw/zinc/14/45/93/722144593.db2.gz HAXNIRSPULDYLY-FGZHOGPDSA-N 1 1 449.986 4.228 20 0 IIADMO Clc1cccc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976166 722152725 /nfs/dbraw/zinc/15/27/25/722152725.db2.gz UNBRWQRFWIXNHC-LPHOPBHVSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1ccc(F)c2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164975320 722157176 /nfs/dbraw/zinc/15/71/76/722157176.db2.gz SHSCPZJOKWWIDQ-OXJNMPFZSA-N 1 1 444.913 4.289 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977226 722157925 /nfs/dbraw/zinc/15/79/25/722157925.db2.gz YGQFGMRMAYXYBR-GHTZIAJQSA-N 1 1 448.945 4.280 20 0 IIADMO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971234 722158701 /nfs/dbraw/zinc/15/87/01/722158701.db2.gz BDWXJBXRMUBYQZ-QUCCMNQESA-N 1 1 426.923 4.150 20 0 IIADMO COc1cc2nc(C)nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164994492 722200485 /nfs/dbraw/zinc/20/04/85/722200485.db2.gz IFFXDHKQCAVCON-VWLOTQADSA-N 1 1 436.531 4.339 20 0 IIADMO COC(=O)c1cc2c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996663 722205094 /nfs/dbraw/zinc/20/50/94/722205094.db2.gz UZDHBMGYILOCGC-HSZRJFAPSA-N 1 1 442.922 4.387 20 0 IIADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765787 1126099543 /nfs/dbraw/zinc/09/95/43/1126099543.db2.gz IIUWVCDLMIHNNO-VQIMIIECSA-N 1 1 436.455 4.163 20 0 IIADMO FC(F)(F)[C@@H]1N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389734 718814439 /nfs/dbraw/zinc/81/44/39/718814439.db2.gz YNTONJPEYGYNAL-JOCHJYFZSA-N 1 1 430.518 4.151 20 0 IIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@@H]3C2)cc1 ZINC001164624229 719098845 /nfs/dbraw/zinc/09/88/45/719098845.db2.gz DQYNZZTVCNHYDB-FYYLOGMGSA-N 1 1 428.536 4.016 20 0 IIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624947 719106907 /nfs/dbraw/zinc/10/69/07/719106907.db2.gz FPXQGWUYEVLRJD-ROUUACIJSA-N 1 1 445.901 4.431 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164651117 719315204 /nfs/dbraw/zinc/31/52/04/719315204.db2.gz IBNJSVNMPPATFG-UHFFFAOYSA-N 1 1 427.556 4.094 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164653593 719315979 /nfs/dbraw/zinc/31/59/79/719315979.db2.gz XCSGQGHVJYBDPO-UHFFFAOYSA-N 1 1 428.943 4.338 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)[nH]c-2n1 ZINC001164691567 719811290 /nfs/dbraw/zinc/81/12/90/719811290.db2.gz HKVKEZSYYBMQNG-UHFFFAOYSA-N 1 1 439.585 4.140 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2[nH]1 ZINC001164691567 719811291 /nfs/dbraw/zinc/81/12/91/719811291.db2.gz HKVKEZSYYBMQNG-UHFFFAOYSA-N 1 1 439.585 4.140 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc2[nH]1 ZINC001164691567 719811292 /nfs/dbraw/zinc/81/12/92/719811292.db2.gz HKVKEZSYYBMQNG-UHFFFAOYSA-N 1 1 439.585 4.140 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(N4CCCCCC4)n2)CC3)cs1 ZINC001164692230 719815246 /nfs/dbraw/zinc/81/52/46/719815246.db2.gz OWLVRQXJCBLUQQ-UHFFFAOYSA-N 1 1 426.634 4.257 20 0 IIADMO CSc1nc2c(c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n1)CCCC2 ZINC001164696037 719891209 /nfs/dbraw/zinc/89/12/09/719891209.db2.gz VMWDXSNWHSQJKC-UHFFFAOYSA-N 1 1 430.643 4.010 20 0 IIADMO CCCN(CCC)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncn1 ZINC001164699285 719895394 /nfs/dbraw/zinc/89/53/94/719895394.db2.gz YVNPOJSRTUYGGS-UHFFFAOYSA-N 1 1 429.634 4.036 20 0 IIADMO COc1ccc(-c2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncn2)cc1 ZINC001164707935 719899139 /nfs/dbraw/zinc/89/91/39/719899139.db2.gz ZTTQAQXNNKVFJH-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164719518 720115323 /nfs/dbraw/zinc/11/53/23/720115323.db2.gz XYTITXGQFOFALX-HSZRJFAPSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716991 720118042 /nfs/dbraw/zinc/11/80/42/720118042.db2.gz MXDTWSFFFFDAJC-QFIPXVFZSA-N 1 1 446.595 4.454 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164718581 720120719 /nfs/dbraw/zinc/12/07/19/720120719.db2.gz SQAKQTRLVWEJLZ-OAQYLSRUSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813697 720166085 /nfs/dbraw/zinc/16/60/85/720166085.db2.gz DMRXKGBDBQLAME-UZUQRXQVSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819048 720175764 /nfs/dbraw/zinc/17/57/64/720175764.db2.gz VSRAIEQAPCPTFM-HYBUGGRVSA-N 1 1 426.992 4.290 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811481 720197540 /nfs/dbraw/zinc/19/75/40/720197540.db2.gz IKTAFYUZCJDZSD-GAJHUEQPSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810166 720205553 /nfs/dbraw/zinc/20/55/53/720205553.db2.gz ABFBXVHYPXDIRS-NQIIRXRSSA-N 1 1 425.951 4.342 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810749 720206498 /nfs/dbraw/zinc/20/64/98/720206498.db2.gz CKWLYJVTUWDSIO-UZUQRXQVSA-N 1 1 433.955 4.221 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732074 720489168 /nfs/dbraw/zinc/48/91/68/720489168.db2.gz YNSQESWRAKJTTP-IAGOWNOFSA-N 1 1 433.387 4.022 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732074 720489170 /nfs/dbraw/zinc/48/91/70/720489170.db2.gz YNSQESWRAKJTTP-IAGOWNOFSA-N 1 1 433.387 4.022 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]21 ZINC001164838964 720546233 /nfs/dbraw/zinc/54/62/33/720546233.db2.gz PESZVLUPIAUHDP-HKBOAZHASA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839159 720548193 /nfs/dbraw/zinc/54/81/93/720548193.db2.gz PRKTUFVSWSARAM-JAXLGGSGSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1C ZINC001164834016 720565201 /nfs/dbraw/zinc/56/52/01/720565201.db2.gz CGBIRMGYWIDJLR-CNNODRBYSA-N 1 1 439.007 4.474 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164833706 720570069 /nfs/dbraw/zinc/57/00/69/720570069.db2.gz BERXCBYORHOMEK-NNMXDRDESA-N 1 1 439.991 4.471 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836190 720588229 /nfs/dbraw/zinc/58/82/29/720588229.db2.gz FDPDADFQZXZBMR-NNMXDRDESA-N 1 1 432.012 4.488 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]21 ZINC001164839302 720631437 /nfs/dbraw/zinc/63/14/37/720631437.db2.gz NEXSMUNGICZNFR-VABKMULXSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838248 720652973 /nfs/dbraw/zinc/65/29/73/720652973.db2.gz GTVHDABGUAEXJG-LLGFUMIMSA-N 1 1 449.977 4.343 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843194 720656640 /nfs/dbraw/zinc/65/66/40/720656640.db2.gz UVHVRVMIJGEXIS-LJQANCHMSA-N 1 1 443.975 4.172 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164840963 720726405 /nfs/dbraw/zinc/72/64/05/720726405.db2.gz TVSWSZLQYFZSIC-QHCPKHFHSA-N 1 1 436.600 4.306 20 0 IIADMO COC[C@]12CCC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846685 720791407 /nfs/dbraw/zinc/79/14/07/720791407.db2.gz KEDQSNMROBAJPY-MZNJEOGPSA-N 1 1 426.630 4.419 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3OCCC[C@]3(COC)C2)n1 ZINC001164847025 720828181 /nfs/dbraw/zinc/82/81/81/720828181.db2.gz HPMBBNWMFDOFNJ-WZONZLPQSA-N 1 1 432.634 4.172 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745162 720833994 /nfs/dbraw/zinc/83/39/94/720833994.db2.gz MCBAUFLBCJSLRR-CNNODRBYSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740482 720839986 /nfs/dbraw/zinc/83/99/86/720839986.db2.gz BZAHCCCHMNEJRG-OKZBNKHCSA-N 1 1 443.020 4.229 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740000 720840573 /nfs/dbraw/zinc/84/05/73/720840573.db2.gz BKVSGGKUNIDVQK-RZUBCFFCSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1nc2ccsc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755518 720868869 /nfs/dbraw/zinc/86/88/69/720868869.db2.gz YCYNDEWIPCTINY-SQJMNOBHSA-N 1 1 449.624 4.150 20 0 IIADMO c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164747958 720870365 /nfs/dbraw/zinc/87/03/65/720870365.db2.gz CWGWCFXHQHUWDR-SQHAQQRYSA-N 1 1 428.580 4.385 20 0 IIADMO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754860 720873095 /nfs/dbraw/zinc/87/30/95/720873095.db2.gz UFEJELRHYQBNIL-BVAGGSTKSA-N 1 1 435.616 4.059 20 0 IIADMO Cc1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754589 720879378 /nfs/dbraw/zinc/87/93/78/720879378.db2.gz SBQGTOVLJMEMGX-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO c1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164751736 720882120 /nfs/dbraw/zinc/88/21/20/720882120.db2.gz DDXGVQRQKSVTFP-DHLKQENFSA-N 1 1 434.609 4.446 20 0 IIADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757432 720884364 /nfs/dbraw/zinc/88/43/64/720884364.db2.gz UPSPASUHFVFFGX-CVDCTZTESA-N 1 1 430.955 4.024 20 0 IIADMO Cc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1Cl ZINC001164758451 720885420 /nfs/dbraw/zinc/88/54/20/720885420.db2.gz YEMPDQPOPOXERE-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1Cl ZINC001164758453 720885777 /nfs/dbraw/zinc/88/57/77/720885777.db2.gz YEMPDQPOPOXERE-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752832 720897771 /nfs/dbraw/zinc/89/77/71/720897771.db2.gz GAZOLMDQDAXUCR-BKMJKUGQSA-N 1 1 431.584 4.021 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746480 720909860 /nfs/dbraw/zinc/90/98/60/720909860.db2.gz AVDWYBHLNMDFSQ-ZEQKJWHPSA-N 1 1 435.616 4.059 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746478 720911029 /nfs/dbraw/zinc/91/10/29/720911029.db2.gz AVDWYBHLNMDFSQ-JYFHCDHNSA-N 1 1 435.616 4.059 20 0 IIADMO CSCc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755208 720923989 /nfs/dbraw/zinc/92/39/89/720923989.db2.gz ZUCKQZICNFNDPY-NOZRDPDXSA-N 1 1 438.641 4.095 20 0 IIADMO CCSc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164746538 720930549 /nfs/dbraw/zinc/93/05/49/720930549.db2.gz BLHKVOLJPHPBBN-RDGATRHJSA-N 1 1 438.641 4.344 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@H]2C ZINC001164864193 720977287 /nfs/dbraw/zinc/97/72/87/720977287.db2.gz ZGIDWXFHUWXCJX-AWEZNQCLSA-N 1 1 445.930 4.074 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@H]2C ZINC001164860607 720977482 /nfs/dbraw/zinc/97/74/82/720977482.db2.gz PEEXGUKODGBFMT-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763814 721031768 /nfs/dbraw/zinc/03/17/68/721031768.db2.gz LJSUZCCUTWFHMZ-MZKUHISZSA-N 1 1 436.600 4.368 20 0 IIADMO c1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164866059 721065673 /nfs/dbraw/zinc/06/56/73/721065673.db2.gz CEROQXOHUVYVKC-RTWAWAEBSA-N 1 1 443.576 4.233 20 0 IIADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865458 721076354 /nfs/dbraw/zinc/07/63/54/721076354.db2.gz LLRIGQZORBRNNQ-DHIUTWEWSA-N 1 1 437.547 4.172 20 0 IIADMO c1ccc(-c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865379 721083243 /nfs/dbraw/zinc/08/32/43/721083243.db2.gz KQNGVEJGKCDRJY-GOTSBHOMSA-N 1 1 437.547 4.172 20 0 IIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867420 721105592 /nfs/dbraw/zinc/10/55/92/721105592.db2.gz YJRGNHQIXDXGND-RBUKOAKNSA-N 1 1 444.913 4.308 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782312 721354606 /nfs/dbraw/zinc/35/46/06/721354606.db2.gz MYNRZKLDZJPAAN-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO CSc1ccc(Oc2cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)ncn2)cc1 ZINC001164790191 721421969 /nfs/dbraw/zinc/42/19/69/721421969.db2.gz WNSCMKQCDRXSEY-HOTGVXAUSA-N 1 1 425.583 4.016 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164789686 721428058 /nfs/dbraw/zinc/42/80/58/721428058.db2.gz WCTQTRDVTLVJRJ-ZIAGYGMSSA-N 1 1 431.924 4.086 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164786912 721454906 /nfs/dbraw/zinc/45/49/06/721454906.db2.gz OQRDWMIYJRRLRP-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164785104 721456963 /nfs/dbraw/zinc/45/69/63/721456963.db2.gz GNGHNQBHNPDEAS-QGZVFWFLSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164786398 721457425 /nfs/dbraw/zinc/45/74/25/721457425.db2.gz MJGKBZPNFSJZII-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164784035 721462522 /nfs/dbraw/zinc/46/25/22/721462522.db2.gz GRULHSOCEXPLGU-GOSISDBHSA-N 1 1 440.053 4.191 20 0 IIADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792585 721490364 /nfs/dbraw/zinc/49/03/64/721490364.db2.gz KZQSPFPOSOKVTH-UHFFFAOYSA-N 1 1 445.567 4.083 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164797062 721502033 /nfs/dbraw/zinc/50/20/33/721502033.db2.gz YKYOHQCYZKEKPY-UHFFFAOYSA-N 1 1 439.567 4.092 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164795187 721525549 /nfs/dbraw/zinc/52/55/49/721525549.db2.gz LLNGMVULEQPCOW-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164795187 721525555 /nfs/dbraw/zinc/52/55/55/721525555.db2.gz LLNGMVULEQPCOW-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164809015 721532327 /nfs/dbraw/zinc/53/23/27/721532327.db2.gz TZGYPJMUVHABKD-YQVWRLOYSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164809015 721532329 /nfs/dbraw/zinc/53/23/29/721532329.db2.gz TZGYPJMUVHABKD-YQVWRLOYSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164806116 721533213 /nfs/dbraw/zinc/53/32/13/721533213.db2.gz OBWDGYGZVCDXDP-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164806116 721533218 /nfs/dbraw/zinc/53/32/18/721533218.db2.gz OBWDGYGZVCDXDP-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164800681 721541777 /nfs/dbraw/zinc/54/17/77/721541777.db2.gz DCKKEDVAXWNXAQ-VWPQPMDRSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807158 721548382 /nfs/dbraw/zinc/54/83/82/721548382.db2.gz PQQJIFPSVQMGLZ-DWLFOUALSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164802496 721549498 /nfs/dbraw/zinc/54/94/98/721549498.db2.gz GNCRFAKJEKAJAS-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164802496 721549501 /nfs/dbraw/zinc/54/95/01/721549501.db2.gz GNCRFAKJEKAJAS-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]21 ZINC001164802294 721554232 /nfs/dbraw/zinc/55/42/32/721554232.db2.gz IAAYIBKBWJTPCO-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]21 ZINC001164802294 721554242 /nfs/dbraw/zinc/55/42/42/721554242.db2.gz IAAYIBKBWJTPCO-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164808035 721555884 /nfs/dbraw/zinc/55/58/84/721555884.db2.gz UMGSWTJZWNQKGT-YPAWHYETSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164808035 721555888 /nfs/dbraw/zinc/55/58/88/721555888.db2.gz UMGSWTJZWNQKGT-YPAWHYETSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@H+]3C2)c1 ZINC001164911876 721556846 /nfs/dbraw/zinc/55/68/46/721556846.db2.gz ZSBQVZRZIJGPES-RDJZCZTQSA-N 1 1 448.876 4.309 20 0 IIADMO 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 721575249 /nfs/dbraw/zinc/57/52/49/721575249.db2.gz CYAJMDAOUWRLPV-MIZPHKNDSA-N 1 1 437.632 4.335 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164800054 721590746 /nfs/dbraw/zinc/59/07/46/721590746.db2.gz BKTUCLNFQZKZQS-OPYAIIAOSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164800054 721590748 /nfs/dbraw/zinc/59/07/48/721590748.db2.gz BKTUCLNFQZKZQS-OPYAIIAOSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@H]12 ZINC001164810874 721591691 /nfs/dbraw/zinc/59/16/91/721591691.db2.gz WONNLJWQLPCTLS-JQVVWYNYSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@H]12 ZINC001164810874 721591693 /nfs/dbraw/zinc/59/16/93/721591693.db2.gz WONNLJWQLPCTLS-JQVVWYNYSA-N 1 1 426.923 4.291 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799991 721592034 /nfs/dbraw/zinc/59/20/34/721592034.db2.gz BBKZOMKWCABDPK-PTLVVNQVSA-N 1 1 438.959 4.160 20 0 IIADMO FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906985 721692732 /nfs/dbraw/zinc/69/27/32/721692732.db2.gz QCISOAFUKBEXFU-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903763 721696851 /nfs/dbraw/zinc/69/68/51/721696851.db2.gz CCLCGOFRKHVZBI-HXUWFJFHSA-N 1 1 432.906 4.052 20 0 IIADMO CCCN(CCC)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904778 721716256 /nfs/dbraw/zinc/71/62/56/721716256.db2.gz DCKKKHHPKDPSHN-HSZRJFAPSA-N 1 1 444.574 4.236 20 0 IIADMO FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906073 721720758 /nfs/dbraw/zinc/72/07/58/721720758.db2.gz JQWLFTQLNFYYPI-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CCc1nc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912130 721729164 /nfs/dbraw/zinc/72/91/64/721729164.db2.gz MBJXGJBNWWRDOM-IBGZPJMESA-N 1 1 442.341 4.479 20 0 IIADMO CSc1nc2c(c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)n1)CCCC2 ZINC001164910809 721753233 /nfs/dbraw/zinc/75/32/33/721753233.db2.gz RWTBASUBPNTKJL-UHFFFAOYSA-N 1 1 435.597 4.260 20 0 IIADMO CSc1nc2c(c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)n1)CCCC2 ZINC001164910809 721753235 /nfs/dbraw/zinc/75/32/35/721753235.db2.gz RWTBASUBPNTKJL-UHFFFAOYSA-N 1 1 435.597 4.260 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]21 ZINC001165020318 721805662 /nfs/dbraw/zinc/80/56/62/721805662.db2.gz FDEPDAOCGKDFBR-UKPHBRMFSA-N 1 1 442.341 4.460 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165025120 721811060 /nfs/dbraw/zinc/81/10/60/721811060.db2.gz LLGNILCOXZUBSE-IEZWGBDMSA-N 1 1 436.934 4.420 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1 ZINC001164917071 721811535 /nfs/dbraw/zinc/81/15/35/721811535.db2.gz KDUVVLHLUVVQRY-FBHSLPMESA-N 1 1 442.629 4.286 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165022650 721814854 /nfs/dbraw/zinc/81/48/54/721814854.db2.gz GLGAIHHDWIPAQI-BHYGNILZSA-N 1 1 428.993 4.180 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@H]21 ZINC001165027672 721816349 /nfs/dbraw/zinc/81/63/49/721816349.db2.gz VMHQOKFCKXTULV-NQHRYMMQSA-N 1 1 429.568 4.188 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026815 721819351 /nfs/dbraw/zinc/81/93/51/721819351.db2.gz RMIZSVHYPDFKDM-YTQUADARSA-N 1 1 439.995 4.193 20 0 IIADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019938 721825441 /nfs/dbraw/zinc/82/54/41/721825441.db2.gz CNXYFBVDEIYCQX-APTRMMRNSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019943 721825570 /nfs/dbraw/zinc/82/55/70/721825570.db2.gz CNXYFBVDEIYCQX-NGYIFUPDSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncn2)cc1 ZINC001165021507 721825599 /nfs/dbraw/zinc/82/55/99/721825599.db2.gz FWQCLJXGMMQIEX-ZWSUVBHBSA-N 1 1 429.568 4.284 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028383 721827715 /nfs/dbraw/zinc/82/77/15/721827715.db2.gz VRLXYVZYFOKASP-SSPYTLHUSA-N 1 1 428.584 4.287 20 0 IIADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC001165018009 721834817 /nfs/dbraw/zinc/83/48/17/721834817.db2.gz PGULPCXDGAGCBW-UHFFFAOYSA-N 1 1 442.560 4.292 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929248 721878992 /nfs/dbraw/zinc/87/89/92/721878992.db2.gz AWAVGJCEEBSSQJ-MOPGFXCFSA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929248 721878993 /nfs/dbraw/zinc/87/89/93/721878993.db2.gz AWAVGJCEEBSSQJ-MOPGFXCFSA-N 1 1 428.005 4.226 20 0 IIADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)C3)co1 ZINC001164930036 721901671 /nfs/dbraw/zinc/90/16/71/721901671.db2.gz KIARYTUFEWOHEO-QPPBQGQZSA-N 1 1 429.568 4.438 20 0 IIADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165039831 721909991 /nfs/dbraw/zinc/90/99/91/721909991.db2.gz VSWZGXWSYBYZES-OAQYLSRUSA-N 1 1 435.959 4.160 20 0 IIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)cnc1Cl ZINC001165043312 721922311 /nfs/dbraw/zinc/92/23/11/721922311.db2.gz IURICRUEXXYBMW-MRXNPFEDSA-N 1 1 425.882 4.387 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CCCC5)CC3)C2)cc1 ZINC001164939822 721922655 /nfs/dbraw/zinc/92/26/55/721922655.db2.gz NTKUEXWPZUYEOE-UHFFFAOYSA-N 1 1 426.992 4.189 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939688 721931437 /nfs/dbraw/zinc/93/14/37/721931437.db2.gz OMTDNHIZMFBUCU-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164962971 722057381 /nfs/dbraw/zinc/05/73/81/722057381.db2.gz GHOOXXTUJZANII-UHFFFAOYSA-N 1 1 436.934 4.102 20 0 IIADMO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164962605 722059426 /nfs/dbraw/zinc/05/94/26/722059426.db2.gz UVWMQULGBHMHFE-UHFFFAOYSA-N 1 1 425.964 4.039 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)nc1 ZINC001164985201 722098143 /nfs/dbraw/zinc/09/81/43/722098143.db2.gz VKWZYPIUUSGVGP-QENXHYHDSA-N 1 1 433.600 4.174 20 0 IIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983490 722101945 /nfs/dbraw/zinc/10/19/45/722101945.db2.gz QLYDYBQAFCQJEH-YJBOKZPZSA-N 1 1 443.325 4.056 20 0 IIADMO CC(C)(C)c1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975538 722107508 /nfs/dbraw/zinc/10/75/08/722107508.db2.gz CHZBJQCYCLTIDP-ICSRJNTNSA-N 1 1 437.613 4.111 20 0 IIADMO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978261 722119394 /nfs/dbraw/zinc/11/93/94/722119394.db2.gz OCKSIUAPRXFONV-WIYYLYMNSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cccc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976170 722152865 /nfs/dbraw/zinc/15/28/65/722152865.db2.gz UNBRWQRFWIXNHC-VQIMIIECSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972222 722152961 /nfs/dbraw/zinc/15/29/61/722152961.db2.gz HCFLDEMFAZUKLF-PGRDOPGGSA-N 1 1 426.923 4.150 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977234 722158436 /nfs/dbraw/zinc/15/84/36/722158436.db2.gz YGQFGMRMAYXYBR-RXVVDRJESA-N 1 1 448.945 4.280 20 0 IIADMO CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995731 722197288 /nfs/dbraw/zinc/19/72/88/722197288.db2.gz XKSQLEUSAUHEIR-HSZRJFAPSA-N 1 1 427.524 4.208 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(C)cc1 ZINC001473840115 1126200419 /nfs/dbraw/zinc/20/04/19/1126200419.db2.gz QUDLVLADNAKANF-QHCPKHFHSA-N 1 1 427.545 4.359 20 0 IIADMO c1ccc(CN2CCc3ncnc(N4CCC[C@@H]5C[N@@H+](Cc6ccccc6)C[C@@H]54)c3C2)cc1 ZINC001164629088 719062114 /nfs/dbraw/zinc/06/21/14/719062114.db2.gz VLSJEFQZMJZSEL-SQHAQQRYSA-N 1 1 439.607 4.136 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164619071 719067258 /nfs/dbraw/zinc/06/72/58/719067258.db2.gz CGJRAGXDDLHLQW-FUHWJXTLSA-N 1 1 435.902 4.167 20 0 IIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629922 719092309 /nfs/dbraw/zinc/09/23/09/719092309.db2.gz UFUDNYWSOGNYBO-LPHOPBHVSA-N 1 1 429.902 4.324 20 0 IIADMO O=C(c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630523 719099839 /nfs/dbraw/zinc/09/98/39/719099839.db2.gz WTZCIHIBTHLVQG-REWPJTCUSA-N 1 1 439.003 4.462 20 0 IIADMO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1 ZINC001164627465 719103583 /nfs/dbraw/zinc/10/35/83/719103583.db2.gz KWDIGCNUYCOYAD-GBXCKJPGSA-N 1 1 430.552 4.262 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164648181 719311348 /nfs/dbraw/zinc/31/13/48/719311348.db2.gz GBSGLOWSBLINNY-UHFFFAOYSA-N 1 1 440.979 4.111 20 0 IIADMO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671626 719445076 /nfs/dbraw/zinc/44/50/76/719445076.db2.gz QNIYPCANORLKCE-DLBZAZTESA-N 1 1 446.523 4.096 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC3)cs1 ZINC001164692139 719812067 /nfs/dbraw/zinc/81/20/67/719812067.db2.gz MHAFICOZNCHBIQ-UHFFFAOYSA-N 1 1 445.992 4.364 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696104 719891855 /nfs/dbraw/zinc/89/18/55/719891855.db2.gz XGSVWOPDJHWHTK-UHFFFAOYSA-N 1 1 444.988 4.225 20 0 IIADMO CSc1nc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696651 719893854 /nfs/dbraw/zinc/89/38/54/719893854.db2.gz GMHDMLWGTUYJJH-UHFFFAOYSA-N 1 1 426.611 4.285 20 0 IIADMO COc1cccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164707363 719898289 /nfs/dbraw/zinc/89/82/89/719898289.db2.gz QMCSRAHJLKQMPN-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO Clc1cc(-c2ccncc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707703 719906144 /nfs/dbraw/zinc/90/61/44/719906144.db2.gz VMQBXRICDROCRL-UHFFFAOYSA-N 1 1 441.988 4.125 20 0 IIADMO Clc1cc(-c2ccncc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707703 719906147 /nfs/dbraw/zinc/90/61/47/719906147.db2.gz VMQBXRICDROCRL-UHFFFAOYSA-N 1 1 441.988 4.125 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812220 720101360 /nfs/dbraw/zinc/10/13/60/720101360.db2.gz PYCGODOMVZSTEE-LAUBAEHRSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810445 720103039 /nfs/dbraw/zinc/10/30/39/720103039.db2.gz JTDNWVQTMODSNH-WXVAWEFUSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164719566 720115557 /nfs/dbraw/zinc/11/55/57/720115557.db2.gz ZBUPJEJKXAGMBQ-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164718582 720124477 /nfs/dbraw/zinc/12/44/77/720124477.db2.gz STJKJIFIAQQNLK-IBGZPJMESA-N 1 1 425.964 4.070 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164713034 720130573 /nfs/dbraw/zinc/13/05/73/720130573.db2.gz PDXHUYUAGZMLLG-OAQYLSRUSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164713033 720130743 /nfs/dbraw/zinc/13/07/43/720130743.db2.gz PDXHUYUAGZMLLG-NRFANRHFSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164711723 720148428 /nfs/dbraw/zinc/14/84/28/720148428.db2.gz IKVUPYRZZNVASN-OAQYLSRUSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164713065 720149145 /nfs/dbraw/zinc/14/91/45/720149145.db2.gz PYGLDHGRPNYTNK-JOCHJYFZSA-N 1 1 449.624 4.416 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164713040 720152043 /nfs/dbraw/zinc/15/20/43/720152043.db2.gz PEWMNZYLZJLCSU-OAQYLSRUSA-N 1 1 435.597 4.108 20 0 IIADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc2c(Cl)cccc12 ZINC001164814484 720231004 /nfs/dbraw/zinc/23/10/04/720231004.db2.gz VAPHORAYZXKDJV-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc12 ZINC001164812049 720233374 /nfs/dbraw/zinc/23/33/74/720233374.db2.gz AWMCFPAWTXJJQS-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735678 720461800 /nfs/dbraw/zinc/46/18/00/720461800.db2.gz XLIZRUDWJISTLG-RTBURBONSA-N 1 1 430.537 4.108 20 0 IIADMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730209 720465759 /nfs/dbraw/zinc/46/57/59/720465759.db2.gz SVAFRMMDVUXVNU-CLJLJLNGSA-N 1 1 440.595 4.382 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841252 720521964 /nfs/dbraw/zinc/52/19/64/720521964.db2.gz XYXORXHHKUVBRO-BHIFYINESA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164840099 720579077 /nfs/dbraw/zinc/57/90/77/720579077.db2.gz OZXRVBWXSAJPFP-SGNDLWITSA-N 1 1 431.584 4.235 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164839221 720623395 /nfs/dbraw/zinc/62/33/95/720623395.db2.gz MJSRFKYMCDXAKP-WRALFONMSA-N 1 1 446.599 4.117 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164840375 720659875 /nfs/dbraw/zinc/65/98/75/720659875.db2.gz LYEWSGAGUXHRDO-INIZCTEOSA-N 1 1 429.927 4.010 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164844537 720680903 /nfs/dbraw/zinc/68/09/03/720680903.db2.gz SVKKBHDHKVCAQD-OAQYLSRUSA-N 1 1 449.986 4.452 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164842672 720693071 /nfs/dbraw/zinc/69/30/71/720693071.db2.gz MLNGWSIEJOKEKZ-QGZVFWFLSA-N 1 1 436.934 4.122 20 0 IIADMO CSc1nc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2s1 ZINC001164837570 720703274 /nfs/dbraw/zinc/70/32/74/720703274.db2.gz DTGPMKULPHBUPE-KRWDZBQOSA-N 1 1 441.626 4.068 20 0 IIADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccncc2)n1 ZINC001164840894 720710689 /nfs/dbraw/zinc/71/06/89/720710689.db2.gz RUMMEJRPHKAXEM-HSZRJFAPSA-N 1 1 429.568 4.107 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164839857 720719387 /nfs/dbraw/zinc/71/93/87/720719387.db2.gz NVAXWTJXAPHALB-DEOSSOPVSA-N 1 1 428.580 4.327 20 0 IIADMO CCCSc1ncnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164842333 720727981 /nfs/dbraw/zinc/72/79/81/720727981.db2.gz YIVWSVBVTWTXES-HXUWFJFHSA-N 1 1 442.629 4.247 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164845093 720774805 /nfs/dbraw/zinc/77/48/05/720774805.db2.gz DNYUJWPNUQUIBQ-FKBYEOEOSA-N 1 1 442.991 4.069 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740041 720837586 /nfs/dbraw/zinc/83/75/86/720837586.db2.gz BQUGPJAVBTZRCF-QMHWCDLVSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742965 720840904 /nfs/dbraw/zinc/84/09/04/720840904.db2.gz HOWMMARTIWGPOS-XQBPLPMBSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754311 720868570 /nfs/dbraw/zinc/86/85/70/720868570.db2.gz RBSLLLIGNZMSLE-SQJMNOBHSA-N 1 1 449.624 4.150 20 0 IIADMO c1ccc2c(c1)ccnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751501 720874661 /nfs/dbraw/zinc/87/46/61/720874661.db2.gz KLBWTGGJTNNZAM-SQHAQQRYSA-N 1 1 428.580 4.385 20 0 IIADMO Cc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753997 720878780 /nfs/dbraw/zinc/87/87/80/720878780.db2.gz QQGCZDVBTJGRKV-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747198 720880803 /nfs/dbraw/zinc/88/08/03/720880803.db2.gz ALCXYBYVDUUVIS-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164750017 720882301 /nfs/dbraw/zinc/88/23/01/720882301.db2.gz IHNNPCXLFADIMS-GJZUVCINSA-N 1 1 431.584 4.021 20 0 IIADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757434 720884093 /nfs/dbraw/zinc/88/40/93/720884093.db2.gz UPSPASUHFVFFGX-XXBNENTESA-N 1 1 430.955 4.024 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860632 720902200 /nfs/dbraw/zinc/90/22/00/720902200.db2.gz SHTNVENELRKUCY-OASJLCFRSA-N 1 1 448.611 4.186 20 0 IIADMO Cc1csc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754647 720903481 /nfs/dbraw/zinc/90/34/81/720903481.db2.gz WQMIOPQPLSFJCJ-PXDATVDWSA-N 1 1 449.624 4.150 20 0 IIADMO CSCc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755211 720924062 /nfs/dbraw/zinc/92/40/62/720924062.db2.gz ZUCKQZICNFNDPY-UKILVPOCSA-N 1 1 438.641 4.095 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@H]2C ZINC001164857826 720964707 /nfs/dbraw/zinc/96/47/07/720964707.db2.gz HLRCJMJVYNOTOL-KRWDZBQOSA-N 1 1 440.979 4.327 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@H]2C ZINC001164857195 720970108 /nfs/dbraw/zinc/97/01/08/720970108.db2.gz CWAVLLYLTZLCKU-SFHVURJKSA-N 1 1 447.562 4.237 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@@H]2C ZINC001164859703 720999770 /nfs/dbraw/zinc/99/97/70/720999770.db2.gz LOHRIXSWFKFGAA-LJQANCHMSA-N 1 1 433.604 4.238 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@@H]2C ZINC001164858866 721004741 /nfs/dbraw/zinc/00/47/41/721004741.db2.gz IPRUQOIZPPTLCO-MRXNPFEDSA-N 1 1 433.585 4.371 20 0 IIADMO COc1ccc(Cc2c(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164863119 721016587 /nfs/dbraw/zinc/01/65/87/721016587.db2.gz SYRPYQJTEYVXJR-HXUWFJFHSA-N 1 1 448.615 4.311 20 0 IIADMO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)c1 ZINC001164866269 721066932 /nfs/dbraw/zinc/06/69/32/721066932.db2.gz DKQMEOWRVAHWSU-MSOLQXFVSA-N 1 1 449.605 4.295 20 0 IIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872045 721175078 /nfs/dbraw/zinc/17/50/78/721175078.db2.gz GETOCQOSWUJPIU-IRXDYDNUSA-N 1 1 445.901 4.096 20 0 IIADMO Fc1ccc(F)c2c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164867867 721190268 /nfs/dbraw/zinc/19/02/68/721190268.db2.gz ITGCIXCODQMQQV-JKSUJKDBSA-N 1 1 430.886 4.041 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772411 721199601 /nfs/dbraw/zinc/19/96/01/721199601.db2.gz UOBRYPWVTCPSLL-NHCUHLMSSA-N 1 1 442.542 4.128 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776124 721327734 /nfs/dbraw/zinc/32/77/34/721327734.db2.gz CSSXZVICMZGRJZ-IRLDBZIGSA-N 1 1 440.563 4.370 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776391 721344644 /nfs/dbraw/zinc/34/46/44/721344644.db2.gz AYQLZZZBCVSMQK-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776391 721344652 /nfs/dbraw/zinc/34/46/52/721344652.db2.gz AYQLZZZBCVSMQK-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777432 721344985 /nfs/dbraw/zinc/34/49/85/721344985.db2.gz GYZGNYAGSTVKHA-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777432 721344988 /nfs/dbraw/zinc/34/49/88/721344988.db2.gz GYZGNYAGSTVKHA-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1 ZINC001164780009 721348146 /nfs/dbraw/zinc/34/81/46/721348146.db2.gz YGJQZJRXLJMMSY-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1 ZINC001164780009 721348151 /nfs/dbraw/zinc/34/81/51/721348151.db2.gz YGJQZJRXLJMMSY-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782966 721354085 /nfs/dbraw/zinc/35/40/85/721354085.db2.gz OIGGDZXVIPUCMC-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782966 721354090 /nfs/dbraw/zinc/35/40/90/721354090.db2.gz OIGGDZXVIPUCMC-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786191 721367600 /nfs/dbraw/zinc/36/76/00/721367600.db2.gz WSNZUHILNMQDGY-AREMUKBSSA-N 1 1 449.599 4.477 20 0 IIADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)n1 ZINC001164787208 721421822 /nfs/dbraw/zinc/42/18/22/721421822.db2.gz PRHRPLSQAADICT-SZPZYZBQSA-N 1 1 448.592 4.209 20 0 IIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)n1 ZINC001164787208 721421828 /nfs/dbraw/zinc/42/18/28/721421828.db2.gz PRHRPLSQAADICT-SZPZYZBQSA-N 1 1 448.592 4.209 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164787747 721450105 /nfs/dbraw/zinc/45/01/05/721450105.db2.gz QBKNUJJCQYYLLB-LJQANCHMSA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164785302 721453942 /nfs/dbraw/zinc/45/39/42/721453942.db2.gz ILTZHKCIOKZFHS-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164785853 721460380 /nfs/dbraw/zinc/46/03/80/721460380.db2.gz OEPJIEPHOHQSDP-JOCHJYFZSA-N 1 1 427.564 4.108 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164790642 721468007 /nfs/dbraw/zinc/46/80/07/721468007.db2.gz SZTIOEAFRFJKKI-JOCHJYFZSA-N 1 1 427.564 4.108 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164791987 721493178 /nfs/dbraw/zinc/49/31/78/721493178.db2.gz INJMACFOVKCDMJ-UHFFFAOYSA-N 1 1 434.975 4.468 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164796362 721502141 /nfs/dbraw/zinc/50/21/41/721502141.db2.gz RLRZBJMNXJHRRL-UHFFFAOYSA-N 1 1 440.595 4.303 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@H+]3C2)c1 ZINC001164899754 721514237 /nfs/dbraw/zinc/51/42/37/721514237.db2.gz MIGLCSNNVRISQJ-WBVHZDCISA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802560 721531497 /nfs/dbraw/zinc/53/14/97/721531497.db2.gz HAFXZUXRZBZJCO-KZNAEPCWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802560 721531499 /nfs/dbraw/zinc/53/14/99/721531499.db2.gz HAFXZUXRZBZJCO-KZNAEPCWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799890 721546262 /nfs/dbraw/zinc/54/62/62/721546262.db2.gz BRCDLOLOOJVEHH-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799890 721546269 /nfs/dbraw/zinc/54/62/69/721546269.db2.gz BRCDLOLOOJVEHH-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904633 721553638 /nfs/dbraw/zinc/55/36/38/721553638.db2.gz DZOTXWXLIGDYRS-CTNGQTDRSA-N 1 1 441.510 4.173 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164802291 721554014 /nfs/dbraw/zinc/55/40/14/721554014.db2.gz IAAYIBKBWJTPCO-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164802291 721554018 /nfs/dbraw/zinc/55/40/18/721554018.db2.gz IAAYIBKBWJTPCO-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@H+]3C2)c1 ZINC001164910815 721559447 /nfs/dbraw/zinc/55/94/47/721559447.db2.gz XLDZYQMUSARKGQ-MJGOQNOKSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164905932 721562971 /nfs/dbraw/zinc/56/29/71/721562971.db2.gz IDEYYXPXYFEJDC-IEBWSBKVSA-N 1 1 447.539 4.234 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@H+]3C2)c1 ZINC001164908028 721566729 /nfs/dbraw/zinc/56/67/29/721566729.db2.gz PGXFYVMDMLLISZ-HKUYNNGSSA-N 1 1 437.893 4.336 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164807320 721576326 /nfs/dbraw/zinc/57/63/26/721576326.db2.gz SRNXQMFTABYQSG-JTAQYXEDSA-N 1 1 449.624 4.142 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164807320 721576330 /nfs/dbraw/zinc/57/63/30/721576330.db2.gz SRNXQMFTABYQSG-JTAQYXEDSA-N 1 1 449.624 4.142 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808184 721585698 /nfs/dbraw/zinc/58/56/98/721585698.db2.gz QAHZCERJVZRPGL-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808184 721585700 /nfs/dbraw/zinc/58/57/00/721585700.db2.gz QAHZCERJVZRPGL-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806288 721589216 /nfs/dbraw/zinc/58/92/16/721589216.db2.gz MUNOCBFQZKPDCG-QZNHQXDQSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806288 721589217 /nfs/dbraw/zinc/58/92/17/721589217.db2.gz MUNOCBFQZKPDCG-QZNHQXDQSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@@H]12 ZINC001164802638 721590944 /nfs/dbraw/zinc/59/09/44/721590944.db2.gz HKZUCHLLXXFUET-LYHRCORUSA-N 1 1 444.913 4.430 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164799987 721592255 /nfs/dbraw/zinc/59/22/55/721592255.db2.gz BBKZOMKWCABDPK-IZIIKQMZSA-N 1 1 438.959 4.160 20 0 IIADMO FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907115 721694714 /nfs/dbraw/zinc/69/47/14/721694714.db2.gz SFLKNROZKOAYMU-HSZRJFAPSA-N 1 1 437.494 4.402 20 0 IIADMO FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908324 721695217 /nfs/dbraw/zinc/69/52/17/721695217.db2.gz YKCNMHCQAHPHDH-GOSISDBHSA-N 1 1 444.860 4.292 20 0 IIADMO Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904880 721695500 /nfs/dbraw/zinc/69/55/00/721695500.db2.gz HELFCQXWANIMQQ-QFIPXVFZSA-N 1 1 427.474 4.210 20 0 IIADMO FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907401 721697625 /nfs/dbraw/zinc/69/76/25/721697625.db2.gz SFZINZHKIXKKNV-LJQANCHMSA-N 1 1 435.931 4.477 20 0 IIADMO FC1(F)CCN(c2cc(Cl)nc3ncccc23)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904865 721700848 /nfs/dbraw/zinc/70/08/48/721700848.db2.gz HCGMXDRBQDSDRH-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904222 721718532 /nfs/dbraw/zinc/71/85/32/721718532.db2.gz AUKRRWGSGCDWEZ-RUZDIDTESA-N 1 1 447.533 4.375 20 0 IIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccncc2)n1 ZINC001164912554 721759956 /nfs/dbraw/zinc/75/99/56/721759956.db2.gz ZMZTZHXWOFNSHN-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccncc2)n1 ZINC001164912554 721759960 /nfs/dbraw/zinc/75/99/60/721759960.db2.gz ZMZTZHXWOFNSHN-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO COc1ccc(-c2cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ncn2)cc1 ZINC001164912207 721762183 /nfs/dbraw/zinc/76/21/83/721762183.db2.gz VIYJRAMYJCHJCD-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccc(-c2cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ncn2)cc1 ZINC001164912207 721762188 /nfs/dbraw/zinc/76/21/88/721762188.db2.gz VIYJRAMYJCHJCD-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3cccc(F)c3)nn1)C2 ZINC001164911146 721762801 /nfs/dbraw/zinc/76/28/01/721762801.db2.gz NAXUZXQPVCFIEI-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3cccc(F)c3)nn1)C2 ZINC001164911146 721762806 /nfs/dbraw/zinc/76/28/06/721762806.db2.gz NAXUZXQPVCFIEI-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]21 ZINC001165026974 721801200 /nfs/dbraw/zinc/80/12/00/721801200.db2.gz TUMWFCHZWPBZRX-UKPHBRMFSA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]21 ZINC001165026973 721801206 /nfs/dbraw/zinc/80/12/06/721801206.db2.gz TUMWFCHZWPBZRX-JLJPHGGASA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]21 ZINC001165024520 721801696 /nfs/dbraw/zinc/80/16/96/721801696.db2.gz LNRVCJQFWFHLTR-NUEKZKHPSA-N 1 1 442.341 4.460 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915937 721802943 /nfs/dbraw/zinc/80/29/43/721802943.db2.gz MOEQYZZQXVBCBY-NFBKMPQASA-N 1 1 442.558 4.161 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@@H]21 ZINC001165025066 721803953 /nfs/dbraw/zinc/80/39/53/721803953.db2.gz NKOMJZOERHCSIL-RIFZZMRRSA-N 1 1 430.021 4.051 20 0 IIADMO COc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c(Cl)nc2c1 ZINC001165026406 721809103 /nfs/dbraw/zinc/80/91/03/721809103.db2.gz PUHAORKUFRTNSS-NBCNXNJRSA-N 1 1 437.975 4.424 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165022666 721814797 /nfs/dbraw/zinc/81/47/97/721814797.db2.gz GLGAIHHDWIPAQI-XIRDDKMYSA-N 1 1 428.993 4.180 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165024226 721815654 /nfs/dbraw/zinc/81/56/54/721815654.db2.gz JZHZQLZFGWOAIM-RYQLBKOJSA-N 1 1 436.934 4.420 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@@H]21 ZINC001165024693 721822507 /nfs/dbraw/zinc/82/25/07/721822507.db2.gz KYVFEIOILWDAGD-FHLIZLRMSA-N 1 1 443.382 4.464 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]21 ZINC001165023239 721827980 /nfs/dbraw/zinc/82/79/80/721827980.db2.gz IIXZRWUDIUDSQF-GRYUFTJMSA-N 1 1 440.595 4.159 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@H]21 ZINC001165029493 721828168 /nfs/dbraw/zinc/82/81/68/721828168.db2.gz WXVRYIMJVWERCX-QFZRFWILSA-N 1 1 440.595 4.159 20 0 IIADMO COc1cc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c(OC)c1 ZINC001165027877 721830111 /nfs/dbraw/zinc/83/01/11/721830111.db2.gz UQFOSRGOPLTSOL-JKFKMHIGSA-N 1 1 432.568 4.384 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927149 721855979 /nfs/dbraw/zinc/85/59/79/721855979.db2.gz JNZGMEMPSNQWST-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927149 721855980 /nfs/dbraw/zinc/85/59/80/721855980.db2.gz JNZGMEMPSNQWST-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934614 721878041 /nfs/dbraw/zinc/87/80/41/721878041.db2.gz SRCAIFHXKXMWBS-OALUTQOASA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934614 721878042 /nfs/dbraw/zinc/87/80/42/721878042.db2.gz SRCAIFHXKXMWBS-OALUTQOASA-N 1 1 428.005 4.226 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)CC3)C2)cc1 ZINC001164939921 721926996 /nfs/dbraw/zinc/92/69/96/721926996.db2.gz OXYYAKGBRYWOLV-UHFFFAOYSA-N 1 1 436.934 4.042 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1C ZINC001164940704 721927871 /nfs/dbraw/zinc/92/78/71/721927871.db2.gz XVTJATZEDJVGCY-UHFFFAOYSA-N 1 1 437.584 4.055 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(C)nc(C5CC5)nc4Cl)CC3)C2)cc1 ZINC001164940226 721931870 /nfs/dbraw/zinc/93/18/70/721931870.db2.gz SQDTYJUXOATSCT-UHFFFAOYSA-N 1 1 426.992 4.496 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccnc4Oc4ccccc4)CC3)C2)cc1 ZINC001164938605 721932419 /nfs/dbraw/zinc/93/24/19/721932419.db2.gz ALVNROMCFNFHJX-UHFFFAOYSA-N 1 1 430.552 4.449 20 0 IIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045541 721960698 /nfs/dbraw/zinc/96/06/98/721960698.db2.gz XILGBKLNMQUFFV-QHCPKHFHSA-N 1 1 442.922 4.126 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164949894 721968106 /nfs/dbraw/zinc/96/81/06/721968106.db2.gz ZGSMRXCGKMNFNP-RGSZASNESA-N 1 1 432.612 4.397 20 0 IIADMO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2cc(Cl)ccc12 ZINC001164948227 721976467 /nfs/dbraw/zinc/97/64/67/721976467.db2.gz VOLPOIKKZVOEMQ-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2cc(Cl)ccc12 ZINC001164948227 721976470 /nfs/dbraw/zinc/97/64/70/721976470.db2.gz VOLPOIKKZVOEMQ-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955541 722013052 /nfs/dbraw/zinc/01/30/52/722013052.db2.gz WHLYMIMNEUZAIA-UHFFFAOYSA-N 1 1 428.314 4.216 20 0 IIADMO Fc1cc2nc(Cl)c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2cc1F ZINC001164952993 722016394 /nfs/dbraw/zinc/01/63/94/722016394.db2.gz QKTMKHMBBRJDOD-UHFFFAOYSA-N 1 1 429.902 4.449 20 0 IIADMO Cc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c(Cl)nc2c1 ZINC001164963828 722055233 /nfs/dbraw/zinc/05/52/33/722055233.db2.gz MTKSGPIRIZKWST-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966895 722061738 /nfs/dbraw/zinc/06/17/38/722061738.db2.gz YRVFWRPWTYRMNU-UHFFFAOYSA-N 1 1 444.023 4.151 20 0 IIADMO Clc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980729 722099818 /nfs/dbraw/zinc/09/98/18/722099818.db2.gz KAPJTMXTYGNODG-UZLBHIALSA-N 1 1 444.366 4.059 20 0 IIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984707 722103075 /nfs/dbraw/zinc/10/30/75/722103075.db2.gz UCKWAKQNWWQVLY-MAUKXSAKSA-N 1 1 443.325 4.056 20 0 IIADMO CC(C)(C)c1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975537 722107412 /nfs/dbraw/zinc/10/74/12/722107412.db2.gz CHZBJQCYCLTIDP-AZUAARDMSA-N 1 1 437.613 4.111 20 0 IIADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976370 722116361 /nfs/dbraw/zinc/11/63/61/722116361.db2.gz LMCAVLOAYCXJFY-JXFKEZNVSA-N 1 1 444.366 4.059 20 0 IIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982183 722116554 /nfs/dbraw/zinc/11/65/54/722116554.db2.gz WGMLMMVYAUBXFU-DOTOQJQBSA-N 1 1 443.325 4.056 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982589 722146418 /nfs/dbraw/zinc/14/64/18/722146418.db2.gz RRJCHVONZCLQQR-NOZRDPDXSA-N 1 1 446.620 4.496 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972232 722153403 /nfs/dbraw/zinc/15/34/03/722153403.db2.gz HKYFBYDGARBSAI-VDGAXYAQSA-N 1 1 429.996 4.074 20 0 IIADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1 ZINC001197305459 1126154558 /nfs/dbraw/zinc/15/45/58/1126154558.db2.gz ZQSLGZLZJWHTML-NRFANRHFSA-N 1 1 431.330 4.196 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5COC[C@@H]5C4)c23)C1 ZINC001164387823 718819139 /nfs/dbraw/zinc/81/91/39/718819139.db2.gz IXISRKAUFWOCJA-KURKYZTESA-N 1 1 426.630 4.275 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626534 719075957 /nfs/dbraw/zinc/07/59/57/719075957.db2.gz OGIGJODYUYCGGE-LPHOPBHVSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccc2c1OC ZINC001164628791 719105006 /nfs/dbraw/zinc/10/50/06/719105006.db2.gz OGCQOBRHTYKCPP-SIKLNZKXSA-N 1 1 431.536 4.131 20 0 IIADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623324 719114786 /nfs/dbraw/zinc/11/47/86/719114786.db2.gz CMJJMTRBORUMOV-HOTGVXAUSA-N 1 1 449.958 4.471 20 0 IIADMO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164671639 719445748 /nfs/dbraw/zinc/44/57/48/719445748.db2.gz QNIYPCANORLKCE-SJORKVTESA-N 1 1 446.523 4.096 20 0 IIADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693481 719803896 /nfs/dbraw/zinc/80/38/96/719803896.db2.gz UCNVYIXFUXIQMR-FPLPWBNLSA-N 1 1 426.586 4.058 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2CSCC4)CC3)cs1 ZINC001164691845 719805451 /nfs/dbraw/zinc/80/54/51/719805451.db2.gz KVBSROBVFFGCOQ-UHFFFAOYSA-N 1 1 436.050 4.319 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cc1OCC ZINC001164691900 719808366 /nfs/dbraw/zinc/80/83/66/719808366.db2.gz AIDGYTAQOCHKNX-UHFFFAOYSA-N 1 1 444.601 4.057 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164705822 719836775 /nfs/dbraw/zinc/83/67/75/719836775.db2.gz VVVLDPAVJUDKJH-QHCPKHFHSA-N 1 1 434.584 4.031 20 0 IIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698448 719897016 /nfs/dbraw/zinc/89/70/16/719897016.db2.gz TUAPVMTXZNQGHX-UHFFFAOYSA-N 1 1 425.602 4.188 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815799 720077174 /nfs/dbraw/zinc/07/71/74/720077174.db2.gz ZRDXBNPJBUBBCN-IIBYNOLFSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164710061 720105881 /nfs/dbraw/zinc/10/58/81/720105881.db2.gz GMDAGVANLCRSSQ-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164716933 720111924 /nfs/dbraw/zinc/11/19/24/720111924.db2.gz LRJIHSGXJXXFAC-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164719565 720115340 /nfs/dbraw/zinc/11/53/40/720115340.db2.gz ZBUPJEJKXAGMBQ-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164717425 720124544 /nfs/dbraw/zinc/12/45/44/720124544.db2.gz OTSOADYENRFGHB-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817395 720156528 /nfs/dbraw/zinc/15/65/28/720156528.db2.gz PFSVUSVUNLVYHB-HNAYVOBHSA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812401 720170207 /nfs/dbraw/zinc/17/02/07/720170207.db2.gz AKCPOEODLURVAD-CLOONOSVSA-N 1 1 440.657 4.453 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812381 720191601 /nfs/dbraw/zinc/19/16/01/720191601.db2.gz ACLCCZNQTJWDPS-IVZQSRNASA-N 1 1 436.934 4.406 20 0 IIADMO C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@]4(CCN(c5ccccc5)C4)C3)c2)CC1 ZINC001164828234 720396017 /nfs/dbraw/zinc/39/60/17/720396017.db2.gz JCMYHSBLGRADRX-DEOSSOPVSA-N 1 1 442.554 4.297 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725753 720427684 /nfs/dbraw/zinc/42/76/84/720427684.db2.gz AXMTXOXXAFRHLU-DNQXCXABSA-N 1 1 428.536 4.092 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164728525 720441615 /nfs/dbraw/zinc/44/16/15/720441615.db2.gz FOCUXYODZFIUSB-YADHBBJMSA-N 1 1 433.943 4.236 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730946 720450943 /nfs/dbraw/zinc/45/09/43/720450943.db2.gz JXLKOIVWOOBNHU-RTBURBONSA-N 1 1 445.901 4.085 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730946 720450957 /nfs/dbraw/zinc/45/09/57/720450957.db2.gz JXLKOIVWOOBNHU-RTBURBONSA-N 1 1 445.901 4.085 20 0 IIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730283 720458733 /nfs/dbraw/zinc/45/87/33/720458733.db2.gz JEJPNSSYUMXGSJ-XPNTWCBSSA-N 1 1 439.922 4.173 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)n1 ZINC001164736412 720539721 /nfs/dbraw/zinc/53/97/21/720539721.db2.gz XUZNKDDHCNNVNW-HYBUGGRVSA-N 1 1 442.991 4.180 20 0 IIADMO 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 720544794 /nfs/dbraw/zinc/54/47/94/720544794.db2.gz OAQZBJUYPKVHFG-BXWFABGCSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]21 ZINC001164835820 720546210 /nfs/dbraw/zinc/54/62/10/720546210.db2.gz HYXRTFLQVNMNPO-DXIQSLLYSA-N 1 1 436.991 4.371 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836192 720587814 /nfs/dbraw/zinc/58/78/14/720587814.db2.gz FDPDADFQZXZBMR-WOIUINJBSA-N 1 1 432.012 4.488 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836194 720588763 /nfs/dbraw/zinc/58/87/63/720588763.db2.gz FDPDADFQZXZBMR-XQBPLPMBSA-N 1 1 432.012 4.488 20 0 IIADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843604 720601219 /nfs/dbraw/zinc/60/12/19/720601219.db2.gz YPDQDNFPPWPKPB-CEXWTWQISA-N 1 1 431.028 4.310 20 0 IIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164842886 720601320 /nfs/dbraw/zinc/60/13/20/720601320.db2.gz WFEMKFJFGZFAJY-QWFCFKBJSA-N 1 1 436.629 4.063 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837615 720646109 /nfs/dbraw/zinc/64/61/09/720646109.db2.gz DKMJPEMJEIZQCE-IXDOHACOSA-N 1 1 435.403 4.235 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841080 720646706 /nfs/dbraw/zinc/64/67/06/720646706.db2.gz PDJCALFVBGSOHN-YZGWKJHDSA-N 1 1 449.977 4.429 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841785 720647672 /nfs/dbraw/zinc/64/76/72/720647672.db2.gz QAJDZAQNMFTDKY-YSIASYRMSA-N 1 1 449.977 4.429 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164838297 720673906 /nfs/dbraw/zinc/67/39/06/720673906.db2.gz HBGUBOSBRXGVGI-GOSISDBHSA-N 1 1 437.918 4.420 20 0 IIADMO COC(=O)c1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc2c1 ZINC001164840502 720686146 /nfs/dbraw/zinc/68/61/46/720686146.db2.gz FRJKGSIWTUOCSF-HSZRJFAPSA-N 1 1 445.563 4.281 20 0 IIADMO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164841693 720709484 /nfs/dbraw/zinc/70/94/84/720709484.db2.gz VYLBGXIXHVSNKV-GOSISDBHSA-N 1 1 428.964 4.042 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164838399 720722443 /nfs/dbraw/zinc/72/24/43/720722443.db2.gz JAWZNKWKPMCFDP-JOCHJYFZSA-N 1 1 445.567 4.269 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164845136 720780039 /nfs/dbraw/zinc/78/00/39/720780039.db2.gz FCYUATAEMUHGEE-LIONHTAISA-N 1 1 436.600 4.367 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744583 720819259 /nfs/dbraw/zinc/81/92/59/720819259.db2.gz VHVYFIUQBQAZKH-OFQRWUPVSA-N 1 1 441.794 4.013 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744577 720819348 /nfs/dbraw/zinc/81/93/48/720819348.db2.gz VHVYFIUQBQAZKH-IIAWOOMASA-N 1 1 441.794 4.013 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740040 720837224 /nfs/dbraw/zinc/83/72/24/720837224.db2.gz BQUGPJAVBTZRCF-KKLQWCBXSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740039 720837407 /nfs/dbraw/zinc/83/74/07/720837407.db2.gz BQUGPJAVBTZRCF-JXHRLWIKSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164745219 720838122 /nfs/dbraw/zinc/83/81/22/720838122.db2.gz MWTWPNBYLVJTPM-TUNNFDKTSA-N 1 1 436.991 4.168 20 0 IIADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164747957 720870244 /nfs/dbraw/zinc/87/02/44/720870244.db2.gz CWGWCFXHQHUWDR-SHQCIBLASA-N 1 1 428.580 4.385 20 0 IIADMO Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751679 720871673 /nfs/dbraw/zinc/87/16/73/720871673.db2.gz LWPDTEICPXOIBZ-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754365 720892416 /nfs/dbraw/zinc/89/24/16/720892416.db2.gz IOMLDCVJKBGWNU-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO CSc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164747184 720906340 /nfs/dbraw/zinc/90/63/40/720906340.db2.gz BZALKGXSNDVNCY-RDGATRHJSA-N 1 1 438.641 4.262 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164862361 720968537 /nfs/dbraw/zinc/96/85/37/720968537.db2.gz RZAUHJUBVNTEOO-IBGZPJMESA-N 1 1 429.572 4.098 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@@H]2C ZINC001164863508 720975520 /nfs/dbraw/zinc/97/55/20/720975520.db2.gz VVPRCEXVEWLRMY-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@H]2C ZINC001164858865 721005313 /nfs/dbraw/zinc/00/53/13/721005313.db2.gz IPRUQOIZPPTLCO-INIZCTEOSA-N 1 1 433.585 4.371 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763826 721029003 /nfs/dbraw/zinc/02/90/03/721029003.db2.gz LSDOSOLBTAUECL-QPPBQGQZSA-N 1 1 442.991 4.071 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763812 721031980 /nfs/dbraw/zinc/03/19/80/721031980.db2.gz LJSUZCCUTWFHMZ-DGWZTRNLSA-N 1 1 436.600 4.368 20 0 IIADMO c1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164866060 721066382 /nfs/dbraw/zinc/06/63/82/721066382.db2.gz CEROQXOHUVYVKC-SFTDATJTSA-N 1 1 443.576 4.233 20 0 IIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867423 721106094 /nfs/dbraw/zinc/10/60/94/721106094.db2.gz YJRGNHQIXDXGND-RTBURBONSA-N 1 1 444.913 4.308 20 0 IIADMO Cc1sc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773832 721202240 /nfs/dbraw/zinc/20/22/40/721202240.db2.gz XIZFXZHFJTZHSQ-RTWAWAEBSA-N 1 1 444.608 4.359 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164877473 721327723 /nfs/dbraw/zinc/32/77/23/721327723.db2.gz UKPFYBFPTHOCFD-UHFFFAOYSA-N 1 1 439.869 4.115 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3C)C2)C1 ZINC001164786116 721363189 /nfs/dbraw/zinc/36/31/89/721363189.db2.gz WGIREJZHKTXSHH-OAQYLSRUSA-N 1 1 439.387 4.421 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885106 721409728 /nfs/dbraw/zinc/40/97/28/721409728.db2.gz FMQLEXCWTQUMPY-SQJMNOBHSA-N 1 1 441.019 4.167 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164784704 721426631 /nfs/dbraw/zinc/42/66/31/721426631.db2.gz LRBOXTSZACVZRI-OYRHEFFESA-N 1 1 444.608 4.121 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164784704 721426634 /nfs/dbraw/zinc/42/66/34/721426634.db2.gz LRBOXTSZACVZRI-OYRHEFFESA-N 1 1 444.608 4.121 20 0 IIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164781927 721426806 /nfs/dbraw/zinc/42/68/06/721426806.db2.gz DVECGTCNSDVLCJ-QZTJIDSGSA-N 1 1 448.621 4.395 20 0 IIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788952 721431512 /nfs/dbraw/zinc/43/15/12/721431512.db2.gz UNFISJGRFAIIGK-HOTGVXAUSA-N 1 1 447.942 4.367 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1C ZINC001164784084 721431971 /nfs/dbraw/zinc/43/19/71/721431971.db2.gz KOHOPTSBDQWVAE-CALCHBBNSA-N 1 1 425.989 4.439 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1C ZINC001164784084 721431972 /nfs/dbraw/zinc/43/19/72/721431972.db2.gz KOHOPTSBDQWVAE-CALCHBBNSA-N 1 1 425.989 4.439 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789597 721433456 /nfs/dbraw/zinc/43/34/56/721433456.db2.gz VUDIKMKNFZXQRO-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789597 721433459 /nfs/dbraw/zinc/43/34/59/721433459.db2.gz VUDIKMKNFZXQRO-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164782541 721436530 /nfs/dbraw/zinc/43/65/30/721436530.db2.gz GLYPMZFHDLPYRJ-HZPDHXFCSA-N 1 1 427.961 4.255 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164785046 721455593 /nfs/dbraw/zinc/45/55/93/721455593.db2.gz GDFZARATOFTKQC-FQEVSTJZSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164789956 721459051 /nfs/dbraw/zinc/45/90/51/721459051.db2.gz YPTOLPQSIREEQJ-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164791753 721467889 /nfs/dbraw/zinc/46/78/89/721467889.db2.gz YLMJWEZIGFQIIK-FQEVSTJZSA-N 1 1 449.039 4.050 20 0 IIADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786359 721473854 /nfs/dbraw/zinc/47/38/54/721473854.db2.gz AXTDZMNXWVKLFL-NRFANRHFSA-N 1 1 436.040 4.200 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786359 721473855 /nfs/dbraw/zinc/47/38/55/721473855.db2.gz AXTDZMNXWVKLFL-NRFANRHFSA-N 1 1 436.040 4.200 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793352 721488159 /nfs/dbraw/zinc/48/81/59/721488159.db2.gz QRBSOWVBNANLDQ-HOKHCIIBSA-N 1 1 440.563 4.085 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164792312 721493902 /nfs/dbraw/zinc/49/39/02/721493902.db2.gz OBQAEFZUIFJBSJ-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH]c-2n1 ZINC001164796799 721498131 /nfs/dbraw/zinc/49/81/31/721498131.db2.gz YKVJHGOBGNZNCP-UHFFFAOYSA-N 1 1 433.556 4.016 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2[nH]1 ZINC001164796799 721498132 /nfs/dbraw/zinc/49/81/32/721498132.db2.gz YKVJHGOBGNZNCP-UHFFFAOYSA-N 1 1 433.556 4.016 20 0 IIADMO CCOC(=O)c1cc2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2[nH]1 ZINC001164796799 721498133 /nfs/dbraw/zinc/49/81/33/721498133.db2.gz YKVJHGOBGNZNCP-UHFFFAOYSA-N 1 1 433.556 4.016 20 0 IIADMO COc1ccc(-c2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ncn2)cc1 ZINC001164796946 721500546 /nfs/dbraw/zinc/50/05/46/721500546.db2.gz ZVDNWUHSSFILQB-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795493 721501017 /nfs/dbraw/zinc/50/10/17/721501017.db2.gz JDQNMLAOHVTWJS-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)o2)cc1 ZINC001164906566 721554762 /nfs/dbraw/zinc/55/47/62/721554762.db2.gz KCKUPUHNTLCLOM-FPOVZHCZSA-N 1 1 445.498 4.074 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@@H]12 ZINC001164804669 721554860 /nfs/dbraw/zinc/55/48/60/721554860.db2.gz LTDOLDWBQDZBQL-NLWGTHIKSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@@H]12 ZINC001164804669 721554862 /nfs/dbraw/zinc/55/48/62/721554862.db2.gz LTDOLDWBQDZBQL-NLWGTHIKSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164800803 721555251 /nfs/dbraw/zinc/55/52/51/721555251.db2.gz FPCXZCURSHUXBS-ZYKOEDHHSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@H+]3C2)c1 ZINC001164911875 721557052 /nfs/dbraw/zinc/55/70/52/721557052.db2.gz ZSBQVZRZIJGPES-NVXWUHKLSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164803367 721582899 /nfs/dbraw/zinc/58/28/99/721582899.db2.gz HTBSDXFLNQBMNL-VIZSFHNOSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164803367 721582902 /nfs/dbraw/zinc/58/29/02/721582902.db2.gz HTBSDXFLNQBMNL-VIZSFHNOSA-N 1 1 435.959 4.060 20 0 IIADMO FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903418 721583865 /nfs/dbraw/zinc/58/38/65/721583865.db2.gz NEOXTPZPMWKXSK-SFHVURJKSA-N 1 1 428.861 4.413 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164808178 721585923 /nfs/dbraw/zinc/58/59/23/721585923.db2.gz QAHZCERJVZRPGL-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@@H]2CCCO[C@H]21 ZINC001164808178 721585924 /nfs/dbraw/zinc/58/59/24/721585924.db2.gz QAHZCERJVZRPGL-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164806196 721591274 /nfs/dbraw/zinc/59/12/74/721591274.db2.gz MGGOQULJVQIKQB-SFHLNBCPSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164806196 721591277 /nfs/dbraw/zinc/59/12/77/721591277.db2.gz MGGOQULJVQIKQB-SFHLNBCPSA-N 1 1 448.945 4.118 20 0 IIADMO FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908509 721694089 /nfs/dbraw/zinc/69/40/89/721694089.db2.gz ZRTGPTYZIMABNK-GOSISDBHSA-N 1 1 444.860 4.292 20 0 IIADMO Cc1nc2ccc(F)cc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904876 721696066 /nfs/dbraw/zinc/69/60/66/721696066.db2.gz HELFCQXWANIMQQ-JOCHJYFZSA-N 1 1 427.474 4.210 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164911713 721756571 /nfs/dbraw/zinc/75/65/71/721756571.db2.gz XQDGBUDIXYTJDL-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164911713 721756573 /nfs/dbraw/zinc/75/65/73/721756573.db2.gz XQDGBUDIXYTJDL-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001164910772 721762961 /nfs/dbraw/zinc/76/29/61/721762961.db2.gz KWXIJOCDZHPDBB-UHFFFAOYSA-N 1 1 425.536 4.250 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001164910772 721762963 /nfs/dbraw/zinc/76/29/63/721762963.db2.gz KWXIJOCDZHPDBB-UHFFFAOYSA-N 1 1 425.536 4.250 20 0 IIADMO COc1cc2c[nH+]c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)cc2cc1OC ZINC001164912132 721763258 /nfs/dbraw/zinc/76/32/58/721763258.db2.gz SQFRQZVXCQDBQL-UHFFFAOYSA-N 1 1 444.535 4.435 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]21 ZINC001165027269 721799841 /nfs/dbraw/zinc/79/98/41/721799841.db2.gz VCUZNPFFBSPSOS-JLJPHGGASA-N 1 1 431.371 4.397 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]21 ZINC001165023389 721803815 /nfs/dbraw/zinc/80/38/15/721803815.db2.gz JSKNBONLKNFBAS-YUXAGFNASA-N 1 1 434.975 4.324 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001165025398 721808250 /nfs/dbraw/zinc/80/82/50/721808250.db2.gz NXXTULQXWLMTSR-HMXCVIKNSA-N 1 1 434.975 4.324 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]21 ZINC001165020686 721813127 /nfs/dbraw/zinc/81/31/27/721813127.db2.gz CLWBFOWWBOVMDU-IEZKXTBUSA-N 1 1 441.579 4.466 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021668 721815567 /nfs/dbraw/zinc/81/55/67/721815567.db2.gz FXBCECOXXZQING-IOMROCGXSA-N 1 1 442.991 4.352 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165026084 721820160 /nfs/dbraw/zinc/82/01/60/721820160.db2.gz PDHHJUMFLSBCBT-CVJWPJSTSA-N 1 1 442.611 4.342 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165026090 721820205 /nfs/dbraw/zinc/82/02/05/721820205.db2.gz PDHHJUMFLSBCBT-PMWMKWCKSA-N 1 1 442.611 4.342 20 0 IIADMO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027059 721822248 /nfs/dbraw/zinc/82/22/48/721822248.db2.gz RLRAZSKXMBOAFM-NKKJXINNSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001165024431 721825828 /nfs/dbraw/zinc/82/58/28/721825828.db2.gz JVQAVYVCBJFCPQ-QGPMSJSTSA-N 1 1 446.933 4.288 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165029660 721827391 /nfs/dbraw/zinc/82/73/91/721827391.db2.gz XKSOSDHJEIJEFG-QPTUXGOLSA-N 1 1 428.584 4.287 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@@H]21 ZINC001165029486 721827917 /nfs/dbraw/zinc/82/79/17/721827917.db2.gz WXVRYIMJVWERCX-JHMXWDHMSA-N 1 1 440.595 4.159 20 0 IIADMO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026738 721828914 /nfs/dbraw/zinc/82/89/14/721828914.db2.gz PWXVUKALVNRXNL-ZKMPZPQNSA-N 1 1 443.595 4.496 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1 ZINC001164925023 721840701 /nfs/dbraw/zinc/84/07/01/721840701.db2.gz ZRJFQFREFKBCOO-NOOIUNMQSA-N 1 1 436.600 4.083 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931234 721856092 /nfs/dbraw/zinc/85/60/92/721856092.db2.gz UJSRPRKFZBQDGA-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931234 721856094 /nfs/dbraw/zinc/85/60/94/721856094.db2.gz UJSRPRKFZBQDGA-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934616 721878008 /nfs/dbraw/zinc/87/80/08/721878008.db2.gz SRCAIFHXKXMWBS-RTBURBONSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934616 721878010 /nfs/dbraw/zinc/87/80/10/721878010.db2.gz SRCAIFHXKXMWBS-RTBURBONSA-N 1 1 428.005 4.226 20 0 IIADMO C[N@@H+](Cc1ccc(N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc1)C1CC1 ZINC001164929817 721899678 /nfs/dbraw/zinc/89/96/78/721899678.db2.gz XCCSJPNFKWQJNZ-UHFFFAOYSA-N 1 1 442.607 4.233 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc12 ZINC001164947112 721977190 /nfs/dbraw/zinc/97/71/90/721977190.db2.gz NXCMYMVHBXJHDQ-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc12 ZINC001164947112 721977193 /nfs/dbraw/zinc/97/71/93/721977193.db2.gz NXCMYMVHBXJHDQ-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO c1cn(Cc2ccccc2)c2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953771 722018699 /nfs/dbraw/zinc/01/86/99/722018699.db2.gz ZDDMAOAZDKGYFU-UHFFFAOYSA-N 1 1 438.579 4.367 20 0 IIADMO Cc1ccc(N2C[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)CC2=O)s1 ZINC001164964189 722044068 /nfs/dbraw/zinc/04/40/68/722044068.db2.gz TWKOSUQRVRFDGP-JOCHJYFZSA-N 1 1 431.005 4.334 20 0 IIADMO Cc1ccc(N2C[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)CC2=O)s1 ZINC001164964218 722044167 /nfs/dbraw/zinc/04/41/67/722044167.db2.gz TWKOSUQRVRFDGP-QFIPXVFZSA-N 1 1 431.005 4.334 20 0 IIADMO Clc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(-c2ccccc2)n1 ZINC001164962407 722060191 /nfs/dbraw/zinc/06/01/91/722060191.db2.gz RQMFMUJNUVHVLZ-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO CC(C)c1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(C(C)(C)C)n1 ZINC001164961630 722060838 /nfs/dbraw/zinc/06/08/38/722060838.db2.gz NFKOLCOMVFZDRY-UHFFFAOYSA-N 1 1 437.632 4.412 20 0 IIADMO Clc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)c23)cc1 ZINC001164967496 722075284 /nfs/dbraw/zinc/07/52/84/722075284.db2.gz RXTYYLUFGUCQDO-HDICACEKSA-N 1 1 426.973 4.311 20 0 IIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984739 722099390 /nfs/dbraw/zinc/09/93/90/722099390.db2.gz UHTQXVFDDFEHOJ-LAUBAEHRSA-N 1 1 426.923 4.150 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164981567 722099690 /nfs/dbraw/zinc/09/96/90/722099690.db2.gz LSSRHDXTSINODO-GCJKJVERSA-N 1 1 438.959 4.019 20 0 IIADMO Clc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980727 722099932 /nfs/dbraw/zinc/09/99/32/722099932.db2.gz KAPJTMXTYGNODG-OXQOHEQNSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971903 722114186 /nfs/dbraw/zinc/11/41/86/722114186.db2.gz DEMCDGIIXQGJGJ-LPHOPBHVSA-N 1 1 444.366 4.059 20 0 IIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982186 722116690 /nfs/dbraw/zinc/11/66/90/722116690.db2.gz WGMLMMVYAUBXFU-NVXWUHKLSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979594 722150039 /nfs/dbraw/zinc/15/00/39/722150039.db2.gz LKSHWVQVKWUBKZ-UZLBHIALSA-N 1 1 444.366 4.059 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@@H]3COCC)CC2)nc1 ZINC001164991139 722187728 /nfs/dbraw/zinc/18/77/28/722187728.db2.gz NXRHFMXZGIYWRQ-XZOQPEGZSA-N 1 1 442.648 4.120 20 0 IIADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164424760 718928484 /nfs/dbraw/zinc/92/84/84/718928484.db2.gz PISIPHGDUIBFNX-CVEARBPZSA-N 1 1 434.556 4.026 20 0 IIADMO c1ccc(CN2CCc3ncnc(N4CCC[C@H]5C[N@@H+](Cc6ccccc6)C[C@@H]54)c3C2)cc1 ZINC001164629085 719062149 /nfs/dbraw/zinc/06/21/49/719062149.db2.gz VLSJEFQZMJZSEL-IGKIAQTJSA-N 1 1 439.607 4.136 20 0 IIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624935 719084765 /nfs/dbraw/zinc/08/47/65/719084765.db2.gz MAFZNTIUGURWFF-JTHBVZDNSA-N 1 1 442.542 4.115 20 0 IIADMO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1 ZINC001164627469 719102957 /nfs/dbraw/zinc/10/29/57/719102957.db2.gz KWDIGCNUYCOYAD-RDPSFJRHSA-N 1 1 430.552 4.262 20 0 IIADMO Cc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628788 719107422 /nfs/dbraw/zinc/10/74/22/719107422.db2.gz OFPUATUUPRARDF-XZOQPEGZSA-N 1 1 427.552 4.138 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164654575 719316836 /nfs/dbraw/zinc/31/68/36/719316836.db2.gz SCHBOZBIFJJIGY-UHFFFAOYSA-N 1 1 433.984 4.092 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691500 719805104 /nfs/dbraw/zinc/80/51/04/719805104.db2.gz IHDBAEYQQNFMJP-UHFFFAOYSA-N 1 1 435.597 4.456 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC3)cs1 ZINC001164694453 719808307 /nfs/dbraw/zinc/80/83/07/719808307.db2.gz YCJKTYKQDPAKRS-UHFFFAOYSA-N 1 1 428.602 4.437 20 0 IIADMO CSc1nc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164691682 719810998 /nfs/dbraw/zinc/81/09/98/719810998.db2.gz JSYOADXYLCENSX-UHFFFAOYSA-N 1 1 432.644 4.208 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691300 719811081 /nfs/dbraw/zinc/81/10/81/719811081.db2.gz FCOKAJITPPXJJO-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO Fc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164694711 719891414 /nfs/dbraw/zinc/89/14/14/719891414.db2.gz CUQSDUCVWKJXGU-UHFFFAOYSA-N 1 1 431.911 4.352 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)s1 ZINC001164707104 719903394 /nfs/dbraw/zinc/90/33/94/719903394.db2.gz NOLRZQMDVCAMJF-UHFFFAOYSA-N 1 1 441.626 4.150 20 0 IIADMO Fc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706476 719909194 /nfs/dbraw/zinc/90/91/94/719909194.db2.gz IRKSSNOKLHJEIJ-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164711677 720095152 /nfs/dbraw/zinc/09/51/52/720095152.db2.gz SKAVBBIXCBKWBP-GOSISDBHSA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164712944 720104903 /nfs/dbraw/zinc/10/49/03/720104903.db2.gz ZASBPLJEWVUREV-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164710062 720105642 /nfs/dbraw/zinc/10/56/42/720105642.db2.gz GMDAGVANLCRSSQ-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164718553 720112384 /nfs/dbraw/zinc/11/23/84/720112384.db2.gz SBXJDFWXOSUAMZ-SFHVURJKSA-N 1 1 433.021 4.359 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164717347 720113720 /nfs/dbraw/zinc/11/37/20/720113720.db2.gz NMEKZYOLZRHOGN-NRFANRHFSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164716918 720123578 /nfs/dbraw/zinc/12/35/78/720123578.db2.gz LMAGBSYWFKBBDT-FQEVSTJZSA-N 1 1 442.567 4.014 20 0 IIADMO CCOc1ccc(Cl)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716958 720123838 /nfs/dbraw/zinc/12/38/38/720123838.db2.gz MJOINFDHHGOIAJ-IBGZPJMESA-N 1 1 430.980 4.036 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164716391 720124814 /nfs/dbraw/zinc/12/48/14/720124814.db2.gz KUPSYPKSFKMCNT-NRFANRHFSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164711197 720136365 /nfs/dbraw/zinc/13/63/65/720136365.db2.gz FZJYKFBVXUKNTN-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164713580 720140478 /nfs/dbraw/zinc/14/04/78/720140478.db2.gz SGJFNGMGFYZVMB-LJQANCHMSA-N 1 1 449.624 4.083 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164713066 720148777 /nfs/dbraw/zinc/14/87/77/720148777.db2.gz PYGLDHGRPNYTNK-QFIPXVFZSA-N 1 1 449.624 4.416 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164712660 720153364 /nfs/dbraw/zinc/15/33/64/720153364.db2.gz NYPNWSCKAHNWNN-QFIPXVFZSA-N 1 1 431.584 4.149 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817392 720156512 /nfs/dbraw/zinc/15/65/12/720156512.db2.gz PFSVUSVUNLVYHB-BEFAXECRSA-N 1 1 431.980 4.187 20 0 IIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711909 720157830 /nfs/dbraw/zinc/15/78/30/720157830.db2.gz DNFMVLQFTUAYFY-FPOVZHCZSA-N 1 1 448.615 4.374 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001164820260 720166150 /nfs/dbraw/zinc/16/61/50/720166150.db2.gz ZWBFKWFDJRPTOE-SBQVMTCPSA-N 1 1 449.643 4.193 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818224 720181223 /nfs/dbraw/zinc/18/12/23/720181223.db2.gz SHXXLGYIFFXSOO-FDDCHVKYSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813477 720198165 /nfs/dbraw/zinc/19/81/65/720198165.db2.gz QAGVLRSPCZFWIY-HXOBKFHXSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810743 720206510 /nfs/dbraw/zinc/20/65/10/720206510.db2.gz CKWLYJVTUWDSIO-GAJHUEQPSA-N 1 1 433.955 4.221 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164816090 720243421 /nfs/dbraw/zinc/24/34/21/720243421.db2.gz GGVVEISXPGAPGQ-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164728516 720442172 /nfs/dbraw/zinc/44/21/72/720442172.db2.gz FOCUXYODZFIUSB-FCHUYYIVSA-N 1 1 433.943 4.236 20 0 IIADMO c1csc(-c2noc(-c3ccnc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735676 720461523 /nfs/dbraw/zinc/46/15/23/720461523.db2.gz XLIZRUDWJISTLG-OALUTQOASA-N 1 1 430.537 4.108 20 0 IIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164722952 720475214 /nfs/dbraw/zinc/47/52/14/720475214.db2.gz BMXXUNKQVPTUSI-CLJLJLNGSA-N 1 1 437.547 4.457 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836085 720516014 /nfs/dbraw/zinc/51/60/14/720516014.db2.gz MHABQVMOFRYWBP-IEIRFRATSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC[C@@H]21 ZINC001164842204 720591515 /nfs/dbraw/zinc/59/15/15/720591515.db2.gz ULBZRDNBEJGNKJ-MMOPVJDHSA-N 1 1 449.990 4.339 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164844186 720617041 /nfs/dbraw/zinc/61/70/41/720617041.db2.gz ZSHQOQFHGCBEDY-TZBSWOFLSA-N 1 1 430.600 4.335 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164840410 720707121 /nfs/dbraw/zinc/70/71/21/720707121.db2.gz QNUIHVAMVFVTAC-IBGZPJMESA-N 1 1 439.991 4.434 20 0 IIADMO COc1cccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840278 720713422 /nfs/dbraw/zinc/71/34/22/720713422.db2.gz OMNYZTXBXFGKII-HSZRJFAPSA-N 1 1 444.579 4.412 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164839837 720720855 /nfs/dbraw/zinc/72/08/55/720720855.db2.gz NQLQPEYXLRLLPC-XMMPIXPASA-N 1 1 443.595 4.415 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164838400 720722998 /nfs/dbraw/zinc/72/29/98/720722998.db2.gz JAWZNKWKPMCFDP-QFIPXVFZSA-N 1 1 445.567 4.269 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001164746866 720831031 /nfs/dbraw/zinc/83/10/31/720831031.db2.gz ZIWLLXHXHDTNNO-IJEWVQPXSA-N 1 1 441.794 4.013 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164745217 720838057 /nfs/dbraw/zinc/83/80/57/720838057.db2.gz MWTWPNBYLVJTPM-RZUBCFFCSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164753019 720864712 /nfs/dbraw/zinc/86/47/12/720864712.db2.gz VELONVZYMOFSMJ-QGZVFWFLSA-N 1 1 429.615 4.247 20 0 IIADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164865280 720875124 /nfs/dbraw/zinc/87/51/24/720875124.db2.gz ZOGSAWJQRIRYNF-RDGATRHJSA-N 1 1 446.595 4.087 20 0 IIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164865279 720875179 /nfs/dbraw/zinc/87/51/79/720875179.db2.gz ZOGSAWJQRIRYNF-RCZVLFRGSA-N 1 1 446.595 4.087 20 0 IIADMO Cc1csc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754648 720905428 /nfs/dbraw/zinc/90/54/28/720905428.db2.gz WQMIOPQPLSFJCJ-SQJMNOBHSA-N 1 1 449.624 4.150 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@@H]2C ZINC001164857832 720964966 /nfs/dbraw/zinc/96/49/66/720964966.db2.gz HLRCJMJVYNOTOL-QGZVFWFLSA-N 1 1 440.979 4.327 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2C ZINC001164857194 720968876 /nfs/dbraw/zinc/96/88/76/720968876.db2.gz CWAVLLYLTZLCKU-GOSISDBHSA-N 1 1 447.562 4.237 20 0 IIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881209 721164368 /nfs/dbraw/zinc/16/43/68/721164368.db2.gz ZWGKIRWTLRUICK-PKTZIBPZSA-N 1 1 437.547 4.172 20 0 IIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872042 721175511 /nfs/dbraw/zinc/17/55/11/721175511.db2.gz GETOCQOSWUJPIU-IAGOWNOFSA-N 1 1 445.901 4.096 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772409 721200495 /nfs/dbraw/zinc/20/04/95/721200495.db2.gz UOBRYPWVTCPSLL-LEWJYISDSA-N 1 1 442.542 4.128 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164878081 721327004 /nfs/dbraw/zinc/32/70/04/721327004.db2.gz YLBVPSUEBZMPBA-UHFFFAOYSA-N 1 1 436.890 4.461 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776121 721327547 /nfs/dbraw/zinc/32/75/47/721327547.db2.gz CSSXZVICMZGRJZ-IFMALSPDSA-N 1 1 440.563 4.370 20 0 IIADMO c1csc(-c2csc3ncnc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c23)c1 ZINC001164782829 721400749 /nfs/dbraw/zinc/40/07/49/721400749.db2.gz FWZLYLGTZYTBKE-KBPBESRZSA-N 1 1 425.608 4.445 20 0 IIADMO c1csc(-c2csc3ncnc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c23)c1 ZINC001164782835 721401096 /nfs/dbraw/zinc/40/10/96/721401096.db2.gz FWZLYLGTZYTBKE-ZIAGYGMSSA-N 1 1 425.608 4.445 20 0 IIADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164784931 721408170 /nfs/dbraw/zinc/40/81/70/721408170.db2.gz LXSZRNBZKVRHAI-NHCUHLMSSA-N 1 1 440.576 4.230 20 0 IIADMO COc1ccc(-c2csc3ncnc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c23)cc1 ZINC001164788226 721424834 /nfs/dbraw/zinc/42/48/34/721424834.db2.gz SKACVVCWWVXIHJ-IRXDYDNUSA-N 1 1 449.605 4.392 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164783580 721427564 /nfs/dbraw/zinc/42/75/64/721427564.db2.gz IYTSLFCSERFOGR-IAGOWNOFSA-N 1 1 439.972 4.012 20 0 IIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782081 721436475 /nfs/dbraw/zinc/43/64/75/721436475.db2.gz FPWXJDHOLQFNFJ-HZPDHXFCSA-N 1 1 427.961 4.255 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884334 721447232 /nfs/dbraw/zinc/44/72/32/721447232.db2.gz ASCGMSYXRFHVQH-MBSDFSHPSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164783533 721454151 /nfs/dbraw/zinc/45/41/51/721454151.db2.gz CGBQIGDIPWFDGJ-HXUWFJFHSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164789383 721457398 /nfs/dbraw/zinc/45/73/98/721457398.db2.gz XOBCZRALHAKKHK-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164789840 721458382 /nfs/dbraw/zinc/45/83/82/721458382.db2.gz XQTGDLHHEWMUDO-FQEVSTJZSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164786915 721458458 /nfs/dbraw/zinc/45/84/58/721458458.db2.gz QMVWXFBMHAJZID-OAQYLSRUSA-N 1 1 445.007 4.017 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793354 721488366 /nfs/dbraw/zinc/48/83/66/721488366.db2.gz QRBSOWVBNANLDQ-NIRIFSCTSA-N 1 1 440.563 4.085 20 0 IIADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1)C1CC1 ZINC001164796378 721499577 /nfs/dbraw/zinc/49/95/77/721499577.db2.gz SETQRWJVMGUCNM-XMMPIXPASA-N 1 1 448.611 4.414 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895609 721505253 /nfs/dbraw/zinc/50/52/53/721505253.db2.gz DFWHUHQUVYUYKC-DHIUTWEWSA-N 1 1 433.600 4.056 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808376 721530149 /nfs/dbraw/zinc/53/01/49/721530149.db2.gz RRRKXARQWDUUBA-ZHALLVOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808376 721530153 /nfs/dbraw/zinc/53/01/53/721530153.db2.gz RRRKXARQWDUUBA-ZHALLVOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@@H]12 ZINC001164805312 721540882 /nfs/dbraw/zinc/54/08/82/721540882.db2.gz LRCDRANNAFEDFM-QKNQBKEWSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@@H]12 ZINC001164805312 721540885 /nfs/dbraw/zinc/54/08/85/721540885.db2.gz LRCDRANNAFEDFM-QKNQBKEWSA-N 1 1 437.613 4.252 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164905420 721559131 /nfs/dbraw/zinc/55/91/31/721559131.db2.gz HGNBWSVISNLSGL-PKOBYXMFSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164908660 721564896 /nfs/dbraw/zinc/56/48/96/721564896.db2.gz RLKUTPIEGXJJLY-CTNGQTDRSA-N 1 1 436.556 4.250 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164807326 721575934 /nfs/dbraw/zinc/57/59/34/721575934.db2.gz SRNXQMFTABYQSG-SXWKCWPCSA-N 1 1 449.624 4.142 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164807326 721575936 /nfs/dbraw/zinc/57/59/36/721575936.db2.gz SRNXQMFTABYQSG-SXWKCWPCSA-N 1 1 449.624 4.142 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164806276 721585046 /nfs/dbraw/zinc/58/50/46/721585046.db2.gz MSWPOKKFSRPIGN-RQTOMXEWSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164806276 721585049 /nfs/dbraw/zinc/58/50/49/721585049.db2.gz MSWPOKKFSRPIGN-RQTOMXEWSA-N 1 1 447.608 4.032 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808323 721588412 /nfs/dbraw/zinc/58/84/12/721588412.db2.gz QOTNQMHMGURCHE-JOCLIGHLSA-N 1 1 429.996 4.215 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@@H]2CCCO[C@H]12 ZINC001164810877 721591585 /nfs/dbraw/zinc/59/15/85/721591585.db2.gz WONNLJWQLPCTLS-KNKQGSTJSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@@H]2CCCO[C@H]12 ZINC001164810877 721591586 /nfs/dbraw/zinc/59/15/86/721591586.db2.gz WONNLJWQLPCTLS-KNKQGSTJSA-N 1 1 426.923 4.291 20 0 IIADMO FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905507 721710739 /nfs/dbraw/zinc/71/07/39/721710739.db2.gz GZRPXGWHFHLWEX-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCCN(CCC)c1cncc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908771 721715689 /nfs/dbraw/zinc/71/56/89/721715689.db2.gz ZBBDSGSAQKPSME-QHCPKHFHSA-N 1 1 444.574 4.236 20 0 IIADMO FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904229 721719340 /nfs/dbraw/zinc/71/93/40/721719340.db2.gz AUKRRWGSGCDWEZ-VWLOTQADSA-N 1 1 447.533 4.375 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909825 721730004 /nfs/dbraw/zinc/73/00/04/721730004.db2.gz DUWZAPZLGHYJAJ-OAQYLSRUSA-N 1 1 429.540 4.441 20 0 IIADMO CSc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(SC)n1 ZINC001164909504 721765684 /nfs/dbraw/zinc/76/56/84/721765684.db2.gz BOVIGBYXFPMOOU-UHFFFAOYSA-N 1 1 427.599 4.103 20 0 IIADMO CSc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(SC)n1 ZINC001164909504 721765688 /nfs/dbraw/zinc/76/56/88/721765688.db2.gz BOVIGBYXFPMOOU-UHFFFAOYSA-N 1 1 427.599 4.103 20 0 IIADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1Cl ZINC001165022110 721802442 /nfs/dbraw/zinc/80/24/42/721802442.db2.gz HZNZMZWJZPHPBY-LDQXTDLNSA-N 1 1 428.964 4.044 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]21 ZINC001165025897 721802847 /nfs/dbraw/zinc/80/28/47/721802847.db2.gz PVDKZZKBZVFKHL-NIJXNBFTSA-N 1 1 447.627 4.276 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029668 721813268 /nfs/dbraw/zinc/81/32/68/721813268.db2.gz ZYMXWXBMMREZMD-NBCNXNJRSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165024192 721814928 /nfs/dbraw/zinc/81/49/28/721814928.db2.gz JOPPFYKTCYOXIL-ILZDJORESA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 ZINC001165026316 721822552 /nfs/dbraw/zinc/82/25/52/721822552.db2.gz OUISPOFZCRGSMW-JLRUASKGSA-N 1 1 442.611 4.362 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@@H]21 ZINC001165021527 721832208 /nfs/dbraw/zinc/83/22/08/721832208.db2.gz FYNKWQPMUOLIBY-RYGJVYDSSA-N 1 1 437.638 4.062 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)cc1 ZINC001164938994 721929436 /nfs/dbraw/zinc/92/94/36/721929436.db2.gz GIUVOZYMENNGFW-UHFFFAOYSA-N 1 1 440.591 4.422 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164945437 721933192 /nfs/dbraw/zinc/93/31/92/721933192.db2.gz WTFVPTSEMYRZMW-UHFFFAOYSA-N 1 1 449.986 4.372 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)CC3)C2)cc1 ZINC001164940453 721933610 /nfs/dbraw/zinc/93/36/10/721933610.db2.gz DAJWPTMALYEMAA-UHFFFAOYSA-N 1 1 445.542 4.430 20 0 IIADMO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164954522 722006103 /nfs/dbraw/zinc/00/61/03/722006103.db2.gz XKIWOCMIKQJUDF-UHFFFAOYSA-N 1 1 449.002 4.456 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952959 722019026 /nfs/dbraw/zinc/01/90/26/722019026.db2.gz PSKCXMIZPSNZDV-UHFFFAOYSA-N 1 1 428.964 4.108 20 0 IIADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955453 722022230 /nfs/dbraw/zinc/02/22/30/722022230.db2.gz HLCHNXPBXIRANC-UHFFFAOYSA-N 1 1 433.934 4.440 20 0 IIADMO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c(C)cc2c1 ZINC001164960450 722051535 /nfs/dbraw/zinc/05/15/35/722051535.db2.gz NTJPGDBTVVZXDA-UHFFFAOYSA-N 1 1 432.568 4.066 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968277 722078021 /nfs/dbraw/zinc/07/80/21/722078021.db2.gz ZGJDMGXLZWXMJQ-IYBDPMFKSA-N 1 1 425.932 4.308 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968277 722078023 /nfs/dbraw/zinc/07/80/23/722078023.db2.gz ZGJDMGXLZWXMJQ-IYBDPMFKSA-N 1 1 425.932 4.308 20 0 IIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983485 722102167 /nfs/dbraw/zinc/10/21/67/722102167.db2.gz QLYDYBQAFCQJEH-CRAIPNDOSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982074 722102257 /nfs/dbraw/zinc/10/22/57/722102257.db2.gz MRJWDFXTRVXWAJ-RDJZCZTQSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164986257 722107663 /nfs/dbraw/zinc/10/76/63/722107663.db2.gz YNYVDLQSVWAQQO-ZBFHGGJFSA-N 1 1 427.763 4.164 20 0 IIADMO COc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973827 722118188 /nfs/dbraw/zinc/11/81/88/722118188.db2.gz HHQOLYZDNMOVCP-MBSDFSHPSA-N 1 1 438.959 4.019 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1C ZINC001164982466 722128869 /nfs/dbraw/zinc/12/88/69/722128869.db2.gz WPOYLCBGSGVXNY-KNQAVFIVSA-N 1 1 437.975 4.022 20 0 IIADMO CCCCOc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982259 722135653 /nfs/dbraw/zinc/13/56/53/722135653.db2.gz RLMBEUTZWUNEJP-SIKLNZKXSA-N 1 1 430.980 4.036 20 0 IIADMO Fc1cc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972220 722152475 /nfs/dbraw/zinc/15/24/75/722152475.db2.gz HCFLDEMFAZUKLF-AVRDEDQJSA-N 1 1 426.923 4.150 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994818 722208563 /nfs/dbraw/zinc/20/85/63/722208563.db2.gz IJQXMEAKJZLBOU-SANMLTNESA-N 1 1 446.526 4.299 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999086 722227410 /nfs/dbraw/zinc/22/74/10/722227410.db2.gz IBJRBWAIVWSRAV-VXKWHMMOSA-N 1 1 438.620 4.233 20 0 IIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000675472914 1126105073 /nfs/dbraw/zinc/10/50/73/1126105073.db2.gz GDTPPGVBONNQJS-CRAIPNDOSA-N 1 1 431.380 4.216 20 0 IIADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H](CO)Cc3ccc(C)c(C)c3)cs2)cc1 ZINC001462314556 1126197601 /nfs/dbraw/zinc/19/76/01/1126197601.db2.gz UHTOCQMZOLJLGA-HXUWFJFHSA-N 1 1 439.581 4.146 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@@H]5C4)c32)C1 ZINC001164423041 718929413 /nfs/dbraw/zinc/92/94/13/718929413.db2.gz DBMOEYOMKKMUDU-OIISXLGYSA-N 1 1 448.583 4.272 20 0 IIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623552 719075486 /nfs/dbraw/zinc/07/54/86/719075486.db2.gz JSEOWYLFKGMLLG-AEFFLSMTSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626539 719076069 /nfs/dbraw/zinc/07/60/69/719076069.db2.gz OGIGJODYUYCGGE-VQIMIIECSA-N 1 1 435.902 4.167 20 0 IIADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)cc1 ZINC001164622286 719103131 /nfs/dbraw/zinc/10/31/31/719103131.db2.gz BPUZZBJZTZIGDD-UPVQGACJSA-N 1 1 442.563 4.406 20 0 IIADMO Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628785 719107154 /nfs/dbraw/zinc/10/71/54/719107154.db2.gz OFPUATUUPRARDF-DHIUTWEWSA-N 1 1 427.552 4.138 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164650153 719315746 /nfs/dbraw/zinc/31/57/46/719315746.db2.gz AOJRKHPIBSGMNC-UHFFFAOYSA-N 1 1 433.585 4.155 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164649203 719317394 /nfs/dbraw/zinc/31/73/94/719317394.db2.gz ABDDGBIBVUMXKO-UHFFFAOYSA-N 1 1 426.952 4.324 20 0 IIADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164665690 719359825 /nfs/dbraw/zinc/35/98/25/719359825.db2.gz YIKSMQQMTJSWNZ-HXUWFJFHSA-N 1 1 441.645 4.172 20 0 IIADMO CCOC[C@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)Cc2nn(CC3CC3)cc21 ZINC001164665464 719363531 /nfs/dbraw/zinc/36/35/31/719363531.db2.gz XAYROBQBNVENAL-LJQANCHMSA-N 1 1 429.996 4.078 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2csc4ncnc(Cl)c24)CC3)cc1 ZINC001164674473 719505236 /nfs/dbraw/zinc/50/52/36/719505236.db2.gz YAVVWIQQZAQPPU-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2csc4ncnc(Cl)c24)CC3)cc1 ZINC001164674473 719505245 /nfs/dbraw/zinc/50/52/45/719505245.db2.gz YAVVWIQQZAQPPU-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO CSc1nc2ccccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673390 719509941 /nfs/dbraw/zinc/50/99/41/719509941.db2.gz RMNZBRNTNZWYGS-UHFFFAOYSA-N 1 1 438.572 4.362 20 0 IIADMO CSc1nc2ccccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673390 719509953 /nfs/dbraw/zinc/50/99/53/719509953.db2.gz RMNZBRNTNZWYGS-UHFFFAOYSA-N 1 1 438.572 4.362 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164688152 719600058 /nfs/dbraw/zinc/60/00/58/719600058.db2.gz UPEBTQOPBSYLTH-URXFXBBRSA-N 1 1 446.599 4.330 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)CC2 ZINC001164686733 719725000 /nfs/dbraw/zinc/72/50/00/719725000.db2.gz QSSCYWREQKLRQS-UHFFFAOYSA-N 1 1 449.986 4.131 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCCCC2)CC3)cs1 ZINC001164693738 719804016 /nfs/dbraw/zinc/80/40/16/719804016.db2.gz UNDTVUBYDOVAKC-UHFFFAOYSA-N 1 1 439.629 4.108 20 0 IIADMO COc1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164691787 719805227 /nfs/dbraw/zinc/80/52/27/719805227.db2.gz JZRISTABKCSAFI-UHFFFAOYSA-N 1 1 439.585 4.047 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693790 719812319 /nfs/dbraw/zinc/81/23/19/719812319.db2.gz YTMPYMHEAOASBR-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693790 719812321 /nfs/dbraw/zinc/81/23/21/719812321.db2.gz YTMPYMHEAOASBR-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N4CCC(C)CC4)nn2)CC3)cs1 ZINC001164691274 719814060 /nfs/dbraw/zinc/81/40/60/719814060.db2.gz CRJLPLIAQDJTNI-UHFFFAOYSA-N 1 1 426.634 4.113 20 0 IIADMO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164698328 719897116 /nfs/dbraw/zinc/89/71/16/719897116.db2.gz RNEKXCJHYXVBCL-UHFFFAOYSA-N 1 1 444.601 4.362 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C ZINC001164705488 719902083 /nfs/dbraw/zinc/90/20/83/719902083.db2.gz CHXUDDDHPRXDOK-UHFFFAOYSA-N 1 1 435.597 4.088 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164710267 720101378 /nfs/dbraw/zinc/10/13/78/720101378.db2.gz IDGCFXPZQGLYQE-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816072 720162165 /nfs/dbraw/zinc/16/21/65/720162165.db2.gz KFNLAQDIPJSTAY-UUOWRZLLSA-N 1 1 426.630 4.063 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813693 720166772 /nfs/dbraw/zinc/16/67/72/720166772.db2.gz DMRXKGBDBQLAME-HXOBKFHXSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810303 720197791 /nfs/dbraw/zinc/19/77/91/720197791.db2.gz BRQCBNVJYIMPPI-DVECYGJZSA-N 1 1 442.991 4.415 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810787 720198261 /nfs/dbraw/zinc/19/82/61/720198261.db2.gz CPNISAWEXRPCCG-DVECYGJZSA-N 1 1 442.991 4.415 20 0 IIADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730210 720465931 /nfs/dbraw/zinc/46/59/31/720465931.db2.gz SVAFRMMDVUXVNU-FTJBHMTQSA-N 1 1 440.595 4.382 20 0 IIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164722954 720476050 /nfs/dbraw/zinc/47/60/50/720476050.db2.gz BMXXUNKQVPTUSI-FTJBHMTQSA-N 1 1 437.547 4.457 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722948 720476530 /nfs/dbraw/zinc/47/65/30/720476530.db2.gz BHCJYIKVIHTHDQ-RBUKOAKNSA-N 1 1 425.895 4.310 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]21 ZINC001164836086 720515813 /nfs/dbraw/zinc/51/58/13/720515813.db2.gz MHABQVMOFRYWBP-NWSQWKLXSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1C ZINC001164834020 720566175 /nfs/dbraw/zinc/56/61/75/720566175.db2.gz CGBIRMGYWIDJLR-NNMXDRDESA-N 1 1 439.007 4.474 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835205 720586117 /nfs/dbraw/zinc/58/61/17/720586117.db2.gz AOHVHHFHJIMNBM-FGTMMUONSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840251 720617463 /nfs/dbraw/zinc/61/74/63/720617463.db2.gz PKTHKZPEWFAENY-FUHIMQAGSA-N 1 1 426.515 4.142 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841788 720647213 /nfs/dbraw/zinc/64/72/13/720647213.db2.gz QAJDZAQNMFTDKY-YZGWKJHDSA-N 1 1 449.977 4.429 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837638 720652383 /nfs/dbraw/zinc/65/23/83/720652383.db2.gz DQEFEVSIYHNYIH-PCCBWWKXSA-N 1 1 439.991 4.471 20 0 IIADMO Cc1cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164844904 720680824 /nfs/dbraw/zinc/68/08/24/720680824.db2.gz WAAPVXXSKBRPEY-SFHVURJKSA-N 1 1 436.934 4.243 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164839680 720695369 /nfs/dbraw/zinc/69/53/69/720695369.db2.gz BGGVMXUGXLPMIB-FQEVSTJZSA-N 1 1 427.552 4.371 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164844842 720704038 /nfs/dbraw/zinc/70/40/38/720704038.db2.gz VKCXRSYUBMIWIF-QHCPKHFHSA-N 1 1 444.579 4.412 20 0 IIADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccncc2)n1 ZINC001164840895 720709560 /nfs/dbraw/zinc/70/95/60/720709560.db2.gz RUMMEJRPHKAXEM-QHCPKHFHSA-N 1 1 429.568 4.107 20 0 IIADMO COc1cccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840280 720713022 /nfs/dbraw/zinc/71/30/22/720713022.db2.gz OMNYZTXBXFGKII-QHCPKHFHSA-N 1 1 444.579 4.412 20 0 IIADMO COC(=O)c1cccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc21 ZINC001164836435 720721089 /nfs/dbraw/zinc/72/10/89/720721089.db2.gz AJVIJNJCGDPVRF-NRFANRHFSA-N 1 1 445.563 4.281 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164839831 720721893 /nfs/dbraw/zinc/72/18/93/720721893.db2.gz NQLQPEYXLRLLPC-DEOSSOPVSA-N 1 1 443.595 4.415 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164838273 720727784 /nfs/dbraw/zinc/72/77/84/720727784.db2.gz HRKJEZSOCOAVHU-IBGZPJMESA-N 1 1 426.992 4.269 20 0 IIADMO COC[C@@]12CCC[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164844630 720793158 /nfs/dbraw/zinc/79/31/58/720793158.db2.gz CKEDMQIOWGKETQ-OSPHWJPCSA-N 1 1 426.630 4.419 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746971 720822353 /nfs/dbraw/zinc/82/23/53/720822353.db2.gz ZRVXTIFFJCJSAE-XQBPLPMBSA-N 1 1 436.991 4.168 20 0 IIADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744025 720827442 /nfs/dbraw/zinc/82/74/42/720827442.db2.gz TZCKKYBOGQVNFV-QNWVGRARSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739434 720842023 /nfs/dbraw/zinc/84/20/23/720842023.db2.gz AFMLNXLFLWZZFY-RZUBCFFCSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751883 720856938 /nfs/dbraw/zinc/85/69/38/720856938.db2.gz RLECFMPIXZAMFX-PWRODBHTSA-N 1 1 436.991 4.168 20 0 IIADMO c1ccc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164752930 720877758 /nfs/dbraw/zinc/87/77/58/720877758.db2.gz NNAIDNHPDQCQSL-AHKZPQOWSA-N 1 1 428.580 4.385 20 0 IIADMO Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164752999 720879951 /nfs/dbraw/zinc/87/99/51/720879951.db2.gz OGAWSEYLRCTOGX-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164756832 720885338 /nfs/dbraw/zinc/88/53/38/720885338.db2.gz RHWUEKCQOJPVII-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755155 720927607 /nfs/dbraw/zinc/92/76/07/720927607.db2.gz ZEILMWAETYSFBP-IGKIAQTJSA-N 1 1 443.595 4.088 20 0 IIADMO CSCc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750125 720928420 /nfs/dbraw/zinc/92/84/20/720928420.db2.gz JGDQUCQOGAKVFZ-ILBGXUMGSA-N 1 1 438.641 4.095 20 0 IIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866703 721118272 /nfs/dbraw/zinc/11/82/72/721118272.db2.gz USRJRDLEHSLTKY-MSOLQXFVSA-N 1 1 444.913 4.308 20 0 IIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881210 721164503 /nfs/dbraw/zinc/16/45/03/721164503.db2.gz ZWGKIRWTLRUICK-XZOQPEGZSA-N 1 1 437.547 4.172 20 0 IIADMO Clc1ccc(Cl)c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164872203 721179686 /nfs/dbraw/zinc/17/96/86/721179686.db2.gz GUQOSNHWWCIZFI-IRXDYDNUSA-N 1 1 429.351 4.416 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771836 721223659 /nfs/dbraw/zinc/22/36/59/721223659.db2.gz RCQJZEBAQPYNLR-VQTJNVASSA-N 1 1 436.991 4.106 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164769036 721276966 /nfs/dbraw/zinc/27/69/66/721276966.db2.gz NJASUAUICARDJP-BWKNWUBXSA-N 1 1 446.599 4.326 20 0 IIADMO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164777685 721326621 /nfs/dbraw/zinc/32/66/21/721326621.db2.gz PFDIWTJHGZSDFP-SFHVURJKSA-N 1 1 446.954 4.072 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778731 721341875 /nfs/dbraw/zinc/34/18/75/721341875.db2.gz OHBBYTIKNAAGNY-AREMUKBSSA-N 1 1 432.568 4.472 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779762 721348876 /nfs/dbraw/zinc/34/88/76/721348876.db2.gz VVQCUZJMZDSLLK-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779762 721348882 /nfs/dbraw/zinc/34/88/82/721348882.db2.gz VVQCUZJMZDSLLK-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777367 721352543 /nfs/dbraw/zinc/35/25/43/721352543.db2.gz GLSYZJWUTKHVIE-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO CSc1cc(Cl)cnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164784373 721364140 /nfs/dbraw/zinc/36/41/40/721364140.db2.gz RKSHSGMJVJVDIP-OAQYLSRUSA-N 1 1 437.009 4.181 20 0 IIADMO CSc1cc(Cl)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164784373 721364145 /nfs/dbraw/zinc/36/41/45/721364145.db2.gz RKSHSGMJVJVDIP-OAQYLSRUSA-N 1 1 437.009 4.181 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790839 721424828 /nfs/dbraw/zinc/42/48/28/721424828.db2.gz YIOFNXWTGNVLGJ-GASCZTMLSA-N 1 1 442.972 4.090 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790839 721424829 /nfs/dbraw/zinc/42/48/29/721424829.db2.gz YIOFNXWTGNVLGJ-GASCZTMLSA-N 1 1 442.972 4.090 20 0 IIADMO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)c1 ZINC001164786611 721431167 /nfs/dbraw/zinc/43/11/67/721431167.db2.gz PDGXZVGOYNHLKU-OALUTQOASA-N 1 1 443.576 4.330 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164783582 721450806 /nfs/dbraw/zinc/45/08/06/721450806.db2.gz CIXNSSGPKUCYMT-SFHVURJKSA-N 1 1 428.404 4.122 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164795064 721498514 /nfs/dbraw/zinc/49/85/14/721498514.db2.gz CEIXKOLLQZJFHU-UHFFFAOYSA-N 1 1 429.568 4.332 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800641 721534303 /nfs/dbraw/zinc/53/43/03/721534303.db2.gz CVEKKJIKFPGTGW-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800641 721534308 /nfs/dbraw/zinc/53/43/08/721534308.db2.gz CVEKKJIKFPGTGW-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903375 721550217 /nfs/dbraw/zinc/55/02/17/721550217.db2.gz CGPPRJIJNXLSOF-AEFFLSMTSA-N 1 1 429.927 4.147 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904097 721552405 /nfs/dbraw/zinc/55/24/05/721552405.db2.gz CZWHDAPMNCZAIR-IRLDBZIGSA-N 1 1 441.510 4.173 20 0 IIADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810503 721554853 /nfs/dbraw/zinc/55/48/53/721554853.db2.gz YNJWFHKOGZJWOL-QNWVGRARSA-N 1 1 438.959 4.160 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164909167 721555525 /nfs/dbraw/zinc/55/55/25/721555525.db2.gz SHJXZPOTTVHNEB-DOTOQJQBSA-N 1 1 438.881 4.033 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@H+]3C2)c1 ZINC001164911877 721556649 /nfs/dbraw/zinc/55/66/49/721556649.db2.gz ZSBQVZRZIJGPES-WBVHZDCISA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164910312 721561099 /nfs/dbraw/zinc/56/10/99/721561099.db2.gz WHDCVOPWRZMAFA-DOTOQJQBSA-N 1 1 433.314 4.418 20 0 IIADMO CCCCOc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806796 721572256 /nfs/dbraw/zinc/57/22/56/721572256.db2.gz RTPJFMFGJGERQI-BHIFYINESA-N 1 1 430.980 4.177 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804353 721578899 /nfs/dbraw/zinc/57/88/99/721578899.db2.gz JQMPXDXCPQBPPQ-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804353 721578903 /nfs/dbraw/zinc/57/89/03/721578903.db2.gz JQMPXDXCPQBPPQ-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808322 721581822 /nfs/dbraw/zinc/58/18/22/721581822.db2.gz QKVHCWPOONYGRU-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808322 721581823 /nfs/dbraw/zinc/58/18/23/721581823.db2.gz QKVHCWPOONYGRU-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906141 721584132 /nfs/dbraw/zinc/58/41/32/721584132.db2.gz YZQPLGBNABIOHS-GOSISDBHSA-N 1 1 428.861 4.413 20 0 IIADMO FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906693 721587554 /nfs/dbraw/zinc/58/75/54/721587554.db2.gz OPHXBAXULVTWIY-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588081 /nfs/dbraw/zinc/58/80/81/721588081.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 1 1 449.643 4.282 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588082 /nfs/dbraw/zinc/58/80/82/721588082.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 1 1 449.643 4.282 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@@H]12 ZINC001164805814 721590287 /nfs/dbraw/zinc/59/02/87/721590287.db2.gz LXYBRPINQOUPJJ-ZHALLVOQSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@@H]12 ZINC001164805814 721590290 /nfs/dbraw/zinc/59/02/90/721590290.db2.gz LXYBRPINQOUPJJ-ZHALLVOQSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164805022 721590683 /nfs/dbraw/zinc/59/06/83/721590683.db2.gz JZRMVOSYMJYNAE-QKNQBKEWSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164805022 721590684 /nfs/dbraw/zinc/59/06/84/721590684.db2.gz JZRMVOSYMJYNAE-QKNQBKEWSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@H]12 ZINC001164805025 721590692 /nfs/dbraw/zinc/59/06/92/721590692.db2.gz JZRMVOSYMJYNAE-ZVDOUQERSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@H]12 ZINC001164805025 721590694 /nfs/dbraw/zinc/59/06/94/721590694.db2.gz JZRMVOSYMJYNAE-ZVDOUQERSA-N 1 1 448.945 4.118 20 0 IIADMO FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908510 721693899 /nfs/dbraw/zinc/69/38/99/721693899.db2.gz ZRTGPTYZIMABNK-SFHVURJKSA-N 1 1 444.860 4.292 20 0 IIADMO FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904772 721697267 /nfs/dbraw/zinc/69/72/67/721697267.db2.gz GIWGCOSDRRMMRZ-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCc1c(Cl)nnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1CC ZINC001164908071 721706229 /nfs/dbraw/zinc/70/62/29/721706229.db2.gz UZISBCAGUJKVGF-OAQYLSRUSA-N 1 1 435.950 4.388 20 0 IIADMO FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913968 721737259 /nfs/dbraw/zinc/73/72/59/721737259.db2.gz ZSTXCDPLPHLDSA-OAQYLSRUSA-N 1 1 433.934 4.142 20 0 IIADMO CCOC(=O)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164907907 721746059 /nfs/dbraw/zinc/74/60/59/721746059.db2.gz CWAPIEFCFJDLQI-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO CCOC(=O)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164907907 721746062 /nfs/dbraw/zinc/74/60/62/721746062.db2.gz CWAPIEFCFJDLQI-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]21 ZINC001165023382 721803959 /nfs/dbraw/zinc/80/39/59/721803959.db2.gz JSKNBONLKNFBAS-BVYCBKJFSA-N 1 1 434.975 4.324 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@H]21 ZINC001165026889 721807158 /nfs/dbraw/zinc/80/71/58/721807158.db2.gz SAQGFJHKBYTNKY-KVSKMBFKSA-N 1 1 427.980 4.027 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028235 721811611 /nfs/dbraw/zinc/81/16/11/721811611.db2.gz WSENLEGRKPHJDZ-YYWHXJBOSA-N 1 1 442.991 4.352 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029664 721813142 /nfs/dbraw/zinc/81/31/42/721813142.db2.gz ZYMXWXBMMREZMD-BPXKWBHBSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165025220 721824314 /nfs/dbraw/zinc/82/43/14/721824314.db2.gz MGJFADONTKJYGM-OPHFCASCSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]21 ZINC001165026309 721830270 /nfs/dbraw/zinc/83/02/70/721830270.db2.gz OTFQGNWXDBCTER-KAGYGMCKSA-N 1 1 434.975 4.324 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921543 721872645 /nfs/dbraw/zinc/87/26/45/721872645.db2.gz DDYVTVSPCLYLKU-ZWKOTPCHSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921543 721872647 /nfs/dbraw/zinc/87/26/47/721872647.db2.gz DDYVTVSPCLYLKU-ZWKOTPCHSA-N 1 1 428.005 4.226 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Oc5ccccc5)ncn4)CC3)C2)cc1 ZINC001164938933 721922824 /nfs/dbraw/zinc/92/28/24/721922824.db2.gz CFRMAKSHNDMCKD-UHFFFAOYSA-N 1 1 430.552 4.449 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(C)nnc4Cl)CC3)C2)cc1 ZINC001164938603 721931180 /nfs/dbraw/zinc/93/11/80/721931180.db2.gz AIEGVPSLBLCKIS-UHFFFAOYSA-N 1 1 436.934 4.163 20 0 IIADMO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2c(Cl)cccc12 ZINC001164948282 721976934 /nfs/dbraw/zinc/97/69/34/721976934.db2.gz WIPUDCDZVIIABA-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2c(Cl)cccc12 ZINC001164948282 721976936 /nfs/dbraw/zinc/97/69/36/721976936.db2.gz WIPUDCDZVIIABA-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO COc1cccc(Oc2cncc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164956058 722020125 /nfs/dbraw/zinc/02/01/25/722020125.db2.gz VOXHNCPHUZARQL-UHFFFAOYSA-N 1 1 431.540 4.165 20 0 IIADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955905 722022533 /nfs/dbraw/zinc/02/25/33/722022533.db2.gz RXMGCNUIPIRREM-UHFFFAOYSA-N 1 1 433.934 4.051 20 0 IIADMO C[N@@H+](Cc1ccc(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1)C1CC1 ZINC001164961408 722050177 /nfs/dbraw/zinc/05/01/77/722050177.db2.gz ZLJCGWQRDRTFCC-UHFFFAOYSA-N 1 1 439.567 4.165 20 0 IIADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964564 722056340 /nfs/dbraw/zinc/05/63/40/722056340.db2.gz VOQVSMHPYMRJMC-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2cccs2)n1 ZINC001164961516 722060547 /nfs/dbraw/zinc/06/05/47/722060547.db2.gz LDEXPERXBXFLRN-UHFFFAOYSA-N 1 1 435.597 4.028 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963010 722062132 /nfs/dbraw/zinc/06/21/32/722062132.db2.gz ARXOQVGLENRXPH-SFHVURJKSA-N 1 1 444.023 4.466 20 0 IIADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968019 722072293 /nfs/dbraw/zinc/07/22/93/722072293.db2.gz YIQJWZQQEOEXBV-SZPZYZBQSA-N 1 1 447.970 4.158 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CNC3=O)nc1 ZINC001164968219 722078461 /nfs/dbraw/zinc/07/84/61/722078461.db2.gz WNJZHUKAENMQSS-XMMPIXPASA-N 1 1 432.612 4.478 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982070 722102175 /nfs/dbraw/zinc/10/21/75/722102175.db2.gz MRJWDFXTRVXWAJ-NVXWUHKLSA-N 1 1 443.325 4.056 20 0 IIADMO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985266 722107761 /nfs/dbraw/zinc/10/77/61/722107761.db2.gz VWIYKHXREHYYGY-VGSWGCGISA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164970905 722112367 /nfs/dbraw/zinc/11/23/67/722112367.db2.gz AMFFNPNXLJBSEE-APWZRJJASA-N 1 1 444.366 4.059 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980273 722131865 /nfs/dbraw/zinc/13/18/65/722131865.db2.gz MJRWSTPUSQNSHI-IEBWSBKVSA-N 1 1 428.989 4.380 20 0 IIADMO Clc1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164983308 722132792 /nfs/dbraw/zinc/13/27/92/722132792.db2.gz TXBGJIIHRRJLDA-IERDGZPVSA-N 1 1 444.366 4.059 20 0 IIADMO CC(C)(C)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978062 722138679 /nfs/dbraw/zinc/13/86/79/722138679.db2.gz JLUOJQWYQAMCEW-SFTDATJTSA-N 1 1 437.632 4.194 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971126 722154198 /nfs/dbraw/zinc/15/41/98/722154198.db2.gz ATWXYHDTESNOJM-IFMALSPDSA-N 1 1 442.007 4.300 20 0 IIADMO Clc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972748 722157275 /nfs/dbraw/zinc/15/72/75/722157275.db2.gz JKQATRCQNKMTEL-QFBILLFUSA-N 1 1 444.366 4.059 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977239 722158401 /nfs/dbraw/zinc/15/84/01/722158401.db2.gz YGQFGMRMAYXYBR-WIYYLYMNSA-N 1 1 448.945 4.280 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974686 722159016 /nfs/dbraw/zinc/15/90/16/722159016.db2.gz OWUMDDJHXCVMKJ-MBSDFSHPSA-N 1 1 438.959 4.019 20 0 IIADMO CC(C)(C)OC(=O)Nc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncn1 ZINC001164995849 722195126 /nfs/dbraw/zinc/19/51/26/722195126.db2.gz YQQZNVMQXFHUFS-QHCPKHFHSA-N 1 1 427.524 4.208 20 0 IIADMO CN(C)c1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998875 722212471 /nfs/dbraw/zinc/21/24/71/722212471.db2.gz YKNPHSWQVZDFMD-HXUWFJFHSA-N 1 1 439.913 4.125 20 0 IIADMO CN(C)c1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998875 722212474 /nfs/dbraw/zinc/21/24/74/722212474.db2.gz YKNPHSWQVZDFMD-HXUWFJFHSA-N 1 1 439.913 4.125 20 0 IIADMO CN(C)c1nc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c(Cl)n1-c1ccccc1 ZINC001308907594 1126168783 /nfs/dbraw/zinc/16/87/83/1126168783.db2.gz PUAFLOQEECMDIQ-QFIPXVFZSA-N 1 1 433.383 4.328 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)n1 ZINC001164402694 718858306 /nfs/dbraw/zinc/85/83/06/718858306.db2.gz LHRQFWGEKMZZMR-ZWKOTPCHSA-N 1 1 435.597 4.322 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164407578 718858514 /nfs/dbraw/zinc/85/85/14/718858514.db2.gz YZEZLNZTOWJIDU-QZTJIDSGSA-N 1 1 433.581 4.076 20 0 IIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623555 719075745 /nfs/dbraw/zinc/07/57/45/719075745.db2.gz JSEOWYLFKGMLLG-SJLPKXTDSA-N 1 1 435.902 4.167 20 0 IIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629149 719082418 /nfs/dbraw/zinc/08/24/18/719082418.db2.gz WAHSPHWUTOKWGL-CVEARBPZSA-N 1 1 435.355 4.061 20 0 IIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629632 719084075 /nfs/dbraw/zinc/08/40/75/719084075.db2.gz YIJIAFPYLMNHAZ-FPOVZHCZSA-N 1 1 426.992 4.318 20 0 IIADMO CCc1cc2c(ncnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)s1 ZINC001164673109 719506970 /nfs/dbraw/zinc/50/69/70/719506970.db2.gz NYXGENYUQWTTAN-UHFFFAOYSA-N 1 1 426.561 4.264 20 0 IIADMO CCc1cc2c(ncnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)s1 ZINC001164673109 719506984 /nfs/dbraw/zinc/50/69/84/719506984.db2.gz NYXGENYUQWTTAN-UHFFFAOYSA-N 1 1 426.561 4.264 20 0 IIADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693480 719804159 /nfs/dbraw/zinc/80/41/59/719804159.db2.gz UCNVYIXFUXIQMR-BQYQJAHWSA-N 1 1 426.586 4.058 20 0 IIADMO COc1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c(OC)c1 ZINC001164693009 719809483 /nfs/dbraw/zinc/80/94/83/719809483.db2.gz OXQZGSWRQQLRHP-UHFFFAOYSA-N 1 1 439.585 4.047 20 0 IIADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695321 719888874 /nfs/dbraw/zinc/88/88/74/719888874.db2.gz NRPMDSPNNLWNQV-UHFFFAOYSA-N 1 1 449.354 4.261 20 0 IIADMO COc1cc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164696209 719894443 /nfs/dbraw/zinc/89/44/43/719894443.db2.gz CCTLAXRUGDPDHE-UHFFFAOYSA-N 1 1 439.581 4.185 20 0 IIADMO Fc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1-c1ccsc1 ZINC001164706310 719907867 /nfs/dbraw/zinc/90/78/67/719907867.db2.gz HLOJHBIZGOVAOR-UHFFFAOYSA-N 1 1 430.574 4.277 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164719097 720113940 /nfs/dbraw/zinc/11/39/40/720113940.db2.gz VYZZAGFVDJJGFM-HXUWFJFHSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164719455 720127344 /nfs/dbraw/zinc/12/73/44/720127344.db2.gz XANSYJATHLPYGV-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164713579 720140782 /nfs/dbraw/zinc/14/07/82/720140782.db2.gz SGJFNGMGFYZVMB-IBGZPJMESA-N 1 1 449.624 4.083 20 0 IIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711912 720157729 /nfs/dbraw/zinc/15/77/29/720157729.db2.gz DNFMVLQFTUAYFY-TZIWHRDSSA-N 1 1 448.615 4.374 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810168 720205979 /nfs/dbraw/zinc/20/59/79/720205979.db2.gz ABFBXVHYPXDIRS-RXVVDRJESA-N 1 1 425.951 4.342 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810747 720206834 /nfs/dbraw/zinc/20/68/34/720206834.db2.gz CKWLYJVTUWDSIO-SBUREZEXSA-N 1 1 433.955 4.221 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731018 720379326 /nfs/dbraw/zinc/37/93/26/720379326.db2.gz YAYYIGXZLAYJAM-ZWKOTPCHSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731018 720379335 /nfs/dbraw/zinc/37/93/35/720379335.db2.gz YAYYIGXZLAYJAM-ZWKOTPCHSA-N 1 1 433.865 4.215 20 0 IIADMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729409 720418963 /nfs/dbraw/zinc/41/89/63/720418963.db2.gz HJZJDQSMEJPNSZ-DQEYMECFSA-N 1 1 442.563 4.432 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730910 720433996 /nfs/dbraw/zinc/43/39/96/720433996.db2.gz JPGBEAHJFGRIRD-WOJBJXKFSA-N 1 1 436.943 4.313 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732519 720435675 /nfs/dbraw/zinc/43/56/75/720435675.db2.gz NYWCRVKFRGHINX-FOVJLYNBSA-N 1 1 428.584 4.257 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726993 720446752 /nfs/dbraw/zinc/44/67/52/720446752.db2.gz CPEYLBMNWKTVIG-QZTJIDSGSA-N 1 1 431.874 4.183 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726993 720446759 /nfs/dbraw/zinc/44/67/59/720446759.db2.gz CPEYLBMNWKTVIG-QZTJIDSGSA-N 1 1 431.874 4.183 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](O)[C@H]3Cc3ccccc3)c2c1C ZINC001164834507 720491696 /nfs/dbraw/zinc/49/16/96/720491696.db2.gz SUYWPKSRWRQMJT-RTWAWAEBSA-N 1 1 436.625 4.476 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733276 720503746 /nfs/dbraw/zinc/50/37/46/720503746.db2.gz ZOICGZKGASCXPF-UMFSSWHCSA-N 1 1 449.599 4.038 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]21 ZINC001164838963 720545927 /nfs/dbraw/zinc/54/59/27/720545927.db2.gz PESZVLUPIAUHDP-ACRUOGEOSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]21 ZINC001164835821 720546664 /nfs/dbraw/zinc/54/66/64/720546664.db2.gz HYXRTFLQVNMNPO-IPJJNNNSSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835818 720553345 /nfs/dbraw/zinc/55/33/45/720553345.db2.gz HWPGYCUAMJKFMB-UNWVZKJWSA-N 1 1 433.604 4.121 20 0 IIADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840725 720568387 /nfs/dbraw/zinc/56/83/87/720568387.db2.gz SRKLHTDTXQRSFB-QKNQBKEWSA-N 1 1 430.556 4.259 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842205 720590115 /nfs/dbraw/zinc/59/01/15/720590115.db2.gz ULBZRDNBEJGNKJ-PLMTUMEDSA-N 1 1 449.990 4.339 20 0 IIADMO 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 720593195 /nfs/dbraw/zinc/59/31/95/720593195.db2.gz BPJYVVIZEOEUNP-GIVPXCGWSA-N 1 1 440.592 4.003 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836315 720627743 /nfs/dbraw/zinc/62/77/43/720627743.db2.gz FSJDLUSKVCZZTL-XPWALMASSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164836815 720634769 /nfs/dbraw/zinc/63/47/69/720634769.db2.gz GYHOCEMWAOFMAW-SYNHAJSKSA-N 1 1 444.505 4.281 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccnc(CSc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842730 720641494 /nfs/dbraw/zinc/64/14/94/720641494.db2.gz VHEXHCRGMJEPEC-QNWVGRARSA-N 1 1 448.640 4.343 20 0 IIADMO Cc1cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164844902 720681486 /nfs/dbraw/zinc/68/14/86/720681486.db2.gz WAAPVXXSKBRPEY-GOSISDBHSA-N 1 1 436.934 4.243 20 0 IIADMO CSc1nc2c(c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n1)CCCC2 ZINC001164844459 720687865 /nfs/dbraw/zinc/68/78/65/720687865.db2.gz SDOHXVRSOZQACT-FQEVSTJZSA-N 1 1 438.641 4.337 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164842670 720693394 /nfs/dbraw/zinc/69/33/94/720693394.db2.gz MLNGWSIEJOKEKZ-KRWDZBQOSA-N 1 1 436.934 4.122 20 0 IIADMO COc1cc2c(cc1F)ncnc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840532 720701282 /nfs/dbraw/zinc/70/12/82/720701282.db2.gz FYYPTCUPVNULOY-IBGZPJMESA-N 1 1 436.531 4.037 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164837050 720711022 /nfs/dbraw/zinc/71/10/22/720711022.db2.gz DBYZVMMGGAASRK-LJQANCHMSA-N 1 1 434.609 4.440 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164838393 720711528 /nfs/dbraw/zinc/71/15/28/720711528.db2.gz IXOYIGOJMYBUQR-HSZRJFAPSA-N 1 1 444.579 4.412 20 0 IIADMO Cc1cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)nn1 ZINC001164837592 720712835 /nfs/dbraw/zinc/71/28/35/720712835.db2.gz DWLJSANQNNGWLU-SFHVURJKSA-N 1 1 436.934 4.243 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836912 720714478 /nfs/dbraw/zinc/71/44/78/720714478.db2.gz BUPRFOAGPFGUJV-QFIPXVFZSA-N 1 1 444.579 4.412 20 0 IIADMO Cc1cccc(CN2CC[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2=O)c1 ZINC001164856265 720807483 /nfs/dbraw/zinc/80/74/83/720807483.db2.gz ZUKFIIIASVDJOT-VWLOTQADSA-N 1 1 439.003 4.268 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746967 720821966 /nfs/dbraw/zinc/82/19/66/720821966.db2.gz ZRVXTIFFJCJSAE-WOIUINJBSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164756834 720885585 /nfs/dbraw/zinc/88/55/85/720885585.db2.gz RHWUEKCQOJPVII-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860614 720902333 /nfs/dbraw/zinc/90/23/33/720902333.db2.gz SHTNVENELRKUCY-CLCZQPDDSA-N 1 1 448.611 4.186 20 0 IIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866652 721114441 /nfs/dbraw/zinc/11/44/41/721114441.db2.gz UNHVTTFRYXEDQE-RBUKOAKNSA-N 1 1 444.913 4.308 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164770988 721161890 /nfs/dbraw/zinc/16/18/90/721161890.db2.gz RUDRKUJJFXDVDR-PKTZIBPZSA-N 1 1 438.579 4.297 20 0 IIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764993 721164224 /nfs/dbraw/zinc/16/42/24/721164224.db2.gz HKBOLDKQGITXQO-CVEARBPZSA-N 1 1 446.382 4.242 20 0 IIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872049 721176352 /nfs/dbraw/zinc/17/63/52/721176352.db2.gz GETOCQOSWUJPIU-SJORKVTESA-N 1 1 445.901 4.096 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874434 721182559 /nfs/dbraw/zinc/18/25/59/721182559.db2.gz JXPKAJJHZPTUFA-UXHICEINSA-N 1 1 427.980 4.052 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874435 721183577 /nfs/dbraw/zinc/18/35/77/721183577.db2.gz JXPKAJJHZPTUFA-VQTJNVASSA-N 1 1 427.980 4.052 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164767630 721183749 /nfs/dbraw/zinc/18/37/49/721183749.db2.gz KFYMIQPOUHCFSN-RTWAWAEBSA-N 1 1 437.975 4.006 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)s1 ZINC001164772337 721211417 /nfs/dbraw/zinc/21/14/17/721211417.db2.gz SHRVXHCNVQEOKW-WOJBJXKFSA-N 1 1 444.608 4.359 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)s1 ZINC001164772336 721212234 /nfs/dbraw/zinc/21/22/34/721212234.db2.gz SHRVXHCNVQEOKW-VQTJNVASSA-N 1 1 444.608 4.359 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC001164871691 721222888 /nfs/dbraw/zinc/22/28/88/721222888.db2.gz KOGPSVRZULJNKV-QHCPKHFHSA-N 1 1 435.616 4.289 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771835 721223457 /nfs/dbraw/zinc/22/34/57/721223457.db2.gz RCQJZEBAQPYNLR-UXHICEINSA-N 1 1 436.991 4.106 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164769042 721276615 /nfs/dbraw/zinc/27/66/15/721276615.db2.gz NJASUAUICARDJP-SQJMNOBHSA-N 1 1 446.599 4.326 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778748 721341476 /nfs/dbraw/zinc/34/14/76/721341476.db2.gz OHBBYTIKNAAGNY-SANMLTNESA-N 1 1 432.568 4.472 20 0 IIADMO CSc1cc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777300 721346456 /nfs/dbraw/zinc/34/64/56/721346456.db2.gz FUERDCMMZNHVCX-OAQYLSRUSA-N 1 1 437.009 4.181 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164784709 721426724 /nfs/dbraw/zinc/42/67/24/721426724.db2.gz LRBOXTSZACVZRI-SFTDATJTSA-N 1 1 444.608 4.121 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164787349 721442345 /nfs/dbraw/zinc/44/23/45/721442345.db2.gz WVEUBPYTLBWXBL-ZEQRLZLVSA-N 1 1 446.599 4.078 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897879 721446819 /nfs/dbraw/zinc/44/68/19/721446819.db2.gz VBTFDYUNFDFJAL-GAJHUEQPSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164789481 721450284 /nfs/dbraw/zinc/45/02/84/721450284.db2.gz WPNSGXCYRFDPGH-SFHVURJKSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164782809 721461798 /nfs/dbraw/zinc/46/17/98/721461798.db2.gz CQWCSCMZTACQDV-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164791755 721468130 /nfs/dbraw/zinc/46/81/30/721468130.db2.gz YLMJWEZIGFQIIK-HXUWFJFHSA-N 1 1 449.039 4.050 20 0 IIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791984 721493064 /nfs/dbraw/zinc/49/30/64/721493064.db2.gz IJCPJCSKECNAPC-UHFFFAOYSA-N 1 1 442.991 4.496 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898657 721501975 /nfs/dbraw/zinc/50/19/75/721501975.db2.gz SZQSQNLECKKCTH-GOTSBHOMSA-N 1 1 442.648 4.166 20 0 IIADMO COc1cccc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794546 721525951 /nfs/dbraw/zinc/52/59/51/721525951.db2.gz FSNQFHHNQRSFHK-LJFZDNNRSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806118 721533238 /nfs/dbraw/zinc/53/32/38/721533238.db2.gz OBWDGYGZVCDXDP-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806118 721533240 /nfs/dbraw/zinc/53/32/40/721533240.db2.gz OBWDGYGZVCDXDP-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164801358 721540606 /nfs/dbraw/zinc/54/06/06/721540606.db2.gz FANOSKLAOBVQSL-IIDMSEBBSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164801358 721540609 /nfs/dbraw/zinc/54/06/09/721540609.db2.gz FANOSKLAOBVQSL-IIDMSEBBSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@@H]12 ZINC001164805062 721551722 /nfs/dbraw/zinc/55/17/22/721551722.db2.gz KQAYNAPWHKAVJV-WAOWUJCRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@@H]12 ZINC001164805062 721551724 /nfs/dbraw/zinc/55/17/24/721551724.db2.gz KQAYNAPWHKAVJV-WAOWUJCRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@H]12 ZINC001164804670 721554740 /nfs/dbraw/zinc/55/47/40/721554740.db2.gz LTDOLDWBQDZBQL-NSHGMRRFSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@H]12 ZINC001164804670 721554744 /nfs/dbraw/zinc/55/47/44/721554744.db2.gz LTDOLDWBQDZBQL-NSHGMRRFSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@H]21 ZINC001164805427 721557734 /nfs/dbraw/zinc/55/77/34/721557734.db2.gz NUSCRHWFIQIOBG-IIDMSEBBSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@H]21 ZINC001164805427 721557737 /nfs/dbraw/zinc/55/77/37/721557737.db2.gz NUSCRHWFIQIOBG-IIDMSEBBSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164811307 721587705 /nfs/dbraw/zinc/58/77/05/721587705.db2.gz XFPJRMQJIABWEB-VSKRKVRLSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800079 721588872 /nfs/dbraw/zinc/58/88/72/721588872.db2.gz BNZHWPOKHKHLSI-TXTKFYIRSA-N 1 1 426.923 4.291 20 0 IIADMO FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906212 721691748 /nfs/dbraw/zinc/69/17/48/721691748.db2.gz MERBAUCQPNTOQS-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO Fc1ccc(-c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910555 721727900 /nfs/dbraw/zinc/72/79/00/721727900.db2.gz FXVVFJXWIGZIMU-HSZRJFAPSA-N 1 1 439.485 4.415 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164907890 721749929 /nfs/dbraw/zinc/74/99/29/721749929.db2.gz CSGNFABNCMMRSJ-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164907890 721749935 /nfs/dbraw/zinc/74/99/35/721749935.db2.gz CSGNFABNCMMRSJ-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164907975 721750978 /nfs/dbraw/zinc/75/09/78/721750978.db2.gz FNGYZJNATGHHOF-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164907975 721750982 /nfs/dbraw/zinc/75/09/82/721750982.db2.gz FNGYZJNATGHHOF-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO COC(=O)c1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc2c1 ZINC001164909424 721752651 /nfs/dbraw/zinc/75/26/51/721752651.db2.gz SHNMHBTXPIGMFF-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COC(=O)c1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc2c1 ZINC001164909424 721752656 /nfs/dbraw/zinc/75/26/56/721752656.db2.gz SHNMHBTXPIGMFF-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3sc4c(c31)CCC4)C2 ZINC001164912286 721760756 /nfs/dbraw/zinc/76/07/56/721760756.db2.gz XKIWOJNHLMQXQA-UHFFFAOYSA-N 1 1 431.565 4.363 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3sc4c(c31)CCC4)C2 ZINC001164912286 721760757 /nfs/dbraw/zinc/76/07/57/721760757.db2.gz XKIWOJNHLMQXQA-UHFFFAOYSA-N 1 1 431.565 4.363 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020278 721799618 /nfs/dbraw/zinc/79/96/18/721799618.db2.gz DVAWBTKPPWPBSO-FFZOFVMBSA-N 1 1 428.964 4.044 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@@H]21 ZINC001165025893 721802839 /nfs/dbraw/zinc/80/28/39/721802839.db2.gz PVDKZZKBZVFKHL-DCEDVJGZSA-N 1 1 447.627 4.276 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@H]21 ZINC001165025070 721803852 /nfs/dbraw/zinc/80/38/52/721803852.db2.gz NKOMJZOERHCSIL-XAUMDUMWSA-N 1 1 430.021 4.051 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]21 ZINC001165020314 721805841 /nfs/dbraw/zinc/80/58/41/721805841.db2.gz FDEPDAOCGKDFBR-JLJPHGGASA-N 1 1 442.341 4.460 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1 ZINC001164917073 721811390 /nfs/dbraw/zinc/81/13/90/721811390.db2.gz KDUVVLHLUVVQRY-GECPAALWSA-N 1 1 442.629 4.286 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164917075 721811500 /nfs/dbraw/zinc/81/15/00/721811500.db2.gz KDUVVLHLUVVQRY-IUBSTNSRSA-N 1 1 442.629 4.286 20 0 IIADMO COc1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165026403 721816632 /nfs/dbraw/zinc/81/66/32/721816632.db2.gz PTLCXHVNOMOJTJ-XKCSPQBFSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)c1C ZINC001165024792 721817167 /nfs/dbraw/zinc/81/71/67/721817167.db2.gz KPBRSLUNNZYLMT-YTQUADARSA-N 1 1 435.950 4.424 20 0 IIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165025678 721823356 /nfs/dbraw/zinc/82/33/56/721823356.db2.gz NJRPPYPLWAJCGC-OPHFCASCSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027576 721824182 /nfs/dbraw/zinc/82/41/82/721824182.db2.gz SRKNOAOTXOGLLW-NGYIFUPDSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncn2)cc1 ZINC001165021497 721825528 /nfs/dbraw/zinc/82/55/28/721825528.db2.gz FWQCLJXGMMQIEX-GRYUFTJMSA-N 1 1 429.568 4.284 20 0 IIADMO COc1cc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c(OC)c1 ZINC001165027878 721830067 /nfs/dbraw/zinc/83/00/67/721830067.db2.gz UQFOSRGOPLTSOL-KUWBRRTOSA-N 1 1 432.568 4.384 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@H]21 ZINC001165021524 721832077 /nfs/dbraw/zinc/83/20/77/721832077.db2.gz FYNKWQPMUOLIBY-CWFSZBLJSA-N 1 1 437.638 4.062 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934613 721878051 /nfs/dbraw/zinc/87/80/51/721878051.db2.gz SRCAIFHXKXMWBS-MOPGFXCFSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164934613 721878052 /nfs/dbraw/zinc/87/80/52/721878052.db2.gz SRCAIFHXKXMWBS-MOPGFXCFSA-N 1 1 428.005 4.226 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164931900 721879564 /nfs/dbraw/zinc/87/95/64/721879564.db2.gz GOTLTZJGPOHCDG-SJORKVTESA-N 1 1 427.643 4.251 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164931900 721879566 /nfs/dbraw/zinc/87/95/66/721879566.db2.gz GOTLTZJGPOHCDG-SJORKVTESA-N 1 1 427.643 4.251 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(Cl)cc4-c4ccncc4)CC3)C2)cc1 ZINC001164940516 721921608 /nfs/dbraw/zinc/92/16/08/721921608.db2.gz SKRNTLSWDGVCLR-UHFFFAOYSA-N 1 1 449.986 4.372 20 0 IIADMO COC(=O)c1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ccc2c1 ZINC001164938896 721924982 /nfs/dbraw/zinc/92/49/82/721924982.db2.gz AEECWFJWMZZAEX-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO COc1ccccc1-c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940648 721931541 /nfs/dbraw/zinc/93/15/41/721931541.db2.gz VJLGSERIFXRVPN-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO COC(=O)c1cccc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ccc21 ZINC001164940178 721932578 /nfs/dbraw/zinc/93/25/78/721932578.db2.gz RFTWQBXAELVJHI-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945066 721977051 /nfs/dbraw/zinc/97/70/51/721977051.db2.gz BOTYEXRUNKLAEL-UHFFFAOYSA-N 1 1 441.000 4.229 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945066 721977055 /nfs/dbraw/zinc/97/70/55/721977055.db2.gz BOTYEXRUNKLAEL-UHFFFAOYSA-N 1 1 441.000 4.229 20 0 IIADMO Cc1nc(Cn2c(=O)ccc3c2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)CC3)cs1 ZINC001164952209 722007423 /nfs/dbraw/zinc/00/74/23/722007423.db2.gz LIHUDKAAPBYJGO-UHFFFAOYSA-N 1 1 428.989 4.046 20 0 IIADMO FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954326 722012431 /nfs/dbraw/zinc/01/24/31/722012431.db2.gz KVQLVEIDPBQOIF-UHFFFAOYSA-N 1 1 428.314 4.216 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955585 722012631 /nfs/dbraw/zinc/01/26/31/722012631.db2.gz XCCGWXNSJXPVNF-UHFFFAOYSA-N 1 1 428.964 4.108 20 0 IIADMO COc1ccc(Oc2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc(C)n2)cc1 ZINC001164962673 722024311 /nfs/dbraw/zinc/02/43/11/722024311.db2.gz QTIVXOXOUJSATI-UHFFFAOYSA-N 1 1 445.567 4.473 20 0 IIADMO FC(F)c1nc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960727 722060511 /nfs/dbraw/zinc/06/05/11/722060511.db2.gz JMMBNTNNRSFESF-UHFFFAOYSA-N 1 1 439.510 4.081 20 0 IIADMO CC(C)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C(C)(C)C)n1 ZINC001164960674 722061116 /nfs/dbraw/zinc/06/11/16/722061116.db2.gz GWKTURDXXJDYPM-UHFFFAOYSA-N 1 1 437.632 4.412 20 0 IIADMO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964256 722062055 /nfs/dbraw/zinc/06/20/55/722062055.db2.gz FQTUTXLBBHMNLB-UHFFFAOYSA-N 1 1 447.558 4.105 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1 ZINC001164965827 722066969 /nfs/dbraw/zinc/06/69/69/722066969.db2.gz PEZCHHWTXAXTCF-HXUWFJFHSA-N 1 1 441.645 4.076 20 0 IIADMO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983427 722107954 /nfs/dbraw/zinc/10/79/54/722107954.db2.gz QBJIXJHFQMXCDE-NQIIRXRSSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975004 722110076 /nfs/dbraw/zinc/11/00/76/722110076.db2.gz JFBDYWWBKRNOLN-OXJNMPFZSA-N 1 1 444.366 4.059 20 0 IIADMO COc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973823 722118323 /nfs/dbraw/zinc/11/83/23/722118323.db2.gz HHQOLYZDNMOVCP-FDDCHVKYSA-N 1 1 438.959 4.019 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984194 722130950 /nfs/dbraw/zinc/13/09/50/722130950.db2.gz WIFYVBWNFUHEJU-XMSQKQJNSA-N 1 1 438.959 4.019 20 0 IIADMO Clc1cccc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976168 722152470 /nfs/dbraw/zinc/15/24/70/722152470.db2.gz UNBRWQRFWIXNHC-QFBILLFUSA-N 1 1 444.366 4.059 20 0 IIADMO O=C(NCc1ccccc1)c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994864 722193594 /nfs/dbraw/zinc/19/35/94/722193594.db2.gz QKKUOBLGFOAALT-HHHXNRCGSA-N 1 1 444.554 4.396 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994350 722211156 /nfs/dbraw/zinc/21/11/56/722211156.db2.gz AXEQBHVSQFNOCA-HXUWFJFHSA-N 1 1 433.318 4.111 20 0 IIADMO C[N@@H+](Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1)C1CC1 ZINC001164998043 722221590 /nfs/dbraw/zinc/22/15/90/722221590.db2.gz GXVWYCHYNLTIEW-RUZDIDTESA-N 1 1 430.596 4.256 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999088 722227533 /nfs/dbraw/zinc/22/75/33/722227533.db2.gz IBJRBWAIVWSRAV-YADHBBJMSA-N 1 1 438.620 4.233 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 ZINC000537297672 1126096837 /nfs/dbraw/zinc/09/68/37/1126096837.db2.gz ONNDQKSBAXWUIP-LJQANCHMSA-N 1 1 434.565 4.311 20 0 IIADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765786 1126099443 /nfs/dbraw/zinc/09/94/43/1126099443.db2.gz IIUWVCDLMIHNNO-QFBILLFUSA-N 1 1 436.455 4.163 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(F)cc1 ZINC000604766604 1126100409 /nfs/dbraw/zinc/10/04/09/1126100409.db2.gz KAGKJWAKXGCFFX-GOSISDBHSA-N 1 1 438.528 4.141 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2ccccc2C)cs1)c1cccc(Cl)c1 ZINC001560761446 1126214132 /nfs/dbraw/zinc/21/41/32/1126214132.db2.gz IHSYFDXXSLVMTH-IBGZPJMESA-N 1 1 429.973 4.483 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@]5(CCOC5)C4)c23)C1 ZINC001164392116 718807848 /nfs/dbraw/zinc/80/78/48/718807848.db2.gz YDPAWZMDKACICC-MZNJEOGPSA-N 1 1 426.630 4.419 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c2c1C ZINC001164407555 718858381 /nfs/dbraw/zinc/85/83/81/718858381.db2.gz YZEZLNZTOWJIDU-MSOLQXFVSA-N 1 1 433.581 4.076 20 0 IIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2n1 ZINC001164621010 719066993 /nfs/dbraw/zinc/06/69/93/719066993.db2.gz GBSNHXGNSHTZMW-KGLIPLIRSA-N 1 1 449.773 4.481 20 0 IIADMO c1ccc(CN2CCc3c(ncnc3N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001164627181 719074066 /nfs/dbraw/zinc/07/40/66/719074066.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 1 1 439.607 4.136 20 0 IIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623553 719076046 /nfs/dbraw/zinc/07/60/46/719076046.db2.gz JSEOWYLFKGMLLG-FUHWJXTLSA-N 1 1 435.902 4.167 20 0 IIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629630 719083624 /nfs/dbraw/zinc/08/36/24/719083624.db2.gz YIJIAFPYLMNHAZ-CTNGQTDRSA-N 1 1 426.992 4.318 20 0 IIADMO COC(=O)c1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccc2c1OC ZINC001164628789 719104284 /nfs/dbraw/zinc/10/42/84/719104284.db2.gz OGCQOBRHTYKCPP-DENIHFKCSA-N 1 1 431.536 4.131 20 0 IIADMO Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628787 719107684 /nfs/dbraw/zinc/10/76/84/719107684.db2.gz OFPUATUUPRARDF-PKTZIBPZSA-N 1 1 427.552 4.138 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164649561 719308584 /nfs/dbraw/zinc/30/85/84/719308584.db2.gz UPFMXAYESFQUFD-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164648816 719312203 /nfs/dbraw/zinc/31/22/03/719312203.db2.gz LWXXTKNFJIORRZ-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671633 719445780 /nfs/dbraw/zinc/44/57/80/719445780.db2.gz QNIYPCANORLKCE-IRXDYDNUSA-N 1 1 446.523 4.096 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c(Cl)cccc42)CC3)cc1 ZINC001164674408 719498490 /nfs/dbraw/zinc/49/84/90/719498490.db2.gz WMEYODRQFJODRQ-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c(Cl)cccc42)CC3)cc1 ZINC001164674408 719498495 /nfs/dbraw/zinc/49/84/95/719498495.db2.gz WMEYODRQFJODRQ-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO COc1cc2ncc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164694416 719807795 /nfs/dbraw/zinc/80/77/95/719807795.db2.gz XENZRFAQEUVUAJ-UHFFFAOYSA-N 1 1 439.585 4.047 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(N)c2)CC3)cs1 ZINC001164691588 719812801 /nfs/dbraw/zinc/81/28/01/719812801.db2.gz ICFIEOBRMRFFJG-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(N)c2)CC3)cs1 ZINC001164691588 719812802 /nfs/dbraw/zinc/81/28/02/719812802.db2.gz ICFIEOBRMRFFJG-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO Fc1ccc2c(Cl)nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164706737 719901437 /nfs/dbraw/zinc/90/14/37/719901437.db2.gz KAOAMEQTSIWWQA-UHFFFAOYSA-N 1 1 432.952 4.355 20 0 IIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707484 719909411 /nfs/dbraw/zinc/90/94/11/719909411.db2.gz RFRINPDANRTNLS-KRWDZBQOSA-N 1 1 425.602 4.404 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164713596 720133797 /nfs/dbraw/zinc/13/37/97/720133797.db2.gz SLESWFORRXFEFS-LJQANCHMSA-N 1 1 444.023 4.330 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809698 720134959 /nfs/dbraw/zinc/13/49/59/720134959.db2.gz IGNREWGLIYUVCY-NQIIRXRSSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164711187 720139462 /nfs/dbraw/zinc/13/94/62/720139462.db2.gz FXADYDKBQZMSSN-IBGZPJMESA-N 1 1 439.991 4.427 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164714374 720144956 /nfs/dbraw/zinc/14/49/56/720144956.db2.gz WQIVYVJPLADKQN-FQEVSTJZSA-N 1 1 442.007 4.218 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164712742 720149084 /nfs/dbraw/zinc/14/90/84/720149084.db2.gz OVJWCHOTZATORC-FQEVSTJZSA-N 1 1 437.613 4.211 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817982 720160865 /nfs/dbraw/zinc/16/08/65/720160865.db2.gz QSYVHYAMNAPYOI-QDPGVEIFSA-N 1 1 442.607 4.405 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812402 720170330 /nfs/dbraw/zinc/17/03/30/720170330.db2.gz AKCPOEODLURVAD-DFBJGRDBSA-N 1 1 440.657 4.453 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810302 720198313 /nfs/dbraw/zinc/19/83/13/720198313.db2.gz BRQCBNVJYIMPPI-CYFREDJKSA-N 1 1 442.991 4.415 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810162 720205969 /nfs/dbraw/zinc/20/59/69/720205969.db2.gz ABFBXVHYPXDIRS-GHTZIAJQSA-N 1 1 425.951 4.342 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164726215 720317635 /nfs/dbraw/zinc/31/76/35/720317635.db2.gz YNYHKSRXWWECCQ-GGAORHGYSA-N 1 1 438.620 4.036 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732523 720436691 /nfs/dbraw/zinc/43/66/91/720436691.db2.gz NYWCRVKFRGHINX-YGOYIFOWSA-N 1 1 428.584 4.257 20 0 IIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729619 720478771 /nfs/dbraw/zinc/47/87/71/720478771.db2.gz SAIAXVPHNQNLFP-PMACEKPBSA-N 1 1 437.931 4.179 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164833703 720571664 /nfs/dbraw/zinc/57/16/64/720571664.db2.gz BERXCBYORHOMEK-CNNODRBYSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835596 720592449 /nfs/dbraw/zinc/59/24/49/720592449.db2.gz BPJYVVIZEOEUNP-HLAWJBBLSA-N 1 1 440.592 4.003 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]21 ZINC001164837161 720605726 /nfs/dbraw/zinc/60/57/26/720605726.db2.gz HIJTUKQXIQVSNZ-NWSQWKLXSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]21 ZINC001164840252 720618065 /nfs/dbraw/zinc/61/80/65/720618065.db2.gz PKTHKZPEWFAENY-UWVAXJGDSA-N 1 1 426.515 4.142 20 0 IIADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164835938 720621894 /nfs/dbraw/zinc/62/18/94/720621894.db2.gz CWNWXKOUFUMRRD-VDKIKQQVSA-N 1 1 430.600 4.280 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164840538 720697232 /nfs/dbraw/zinc/69/72/32/720697232.db2.gz GFPJRDJMVMVBOR-XMMPIXPASA-N 1 1 444.579 4.316 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164844840 720702645 /nfs/dbraw/zinc/70/26/45/720702645.db2.gz VKCXRSYUBMIWIF-HSZRJFAPSA-N 1 1 444.579 4.412 20 0 IIADMO CCOC(=O)c1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164836945 720705517 /nfs/dbraw/zinc/70/55/17/720705517.db2.gz BZXFUEIBLLKSOZ-IBGZPJMESA-N 1 1 443.975 4.172 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164848920 720755674 /nfs/dbraw/zinc/75/56/74/720755674.db2.gz QYRPLTDIOLFARM-MHECFPHRSA-N 1 1 441.645 4.322 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164845137 720779603 /nfs/dbraw/zinc/77/96/03/720779603.db2.gz FCYUATAEMUHGEE-NDBXHCKUSA-N 1 1 436.600 4.367 20 0 IIADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744021 720827373 /nfs/dbraw/zinc/82/73/73/720827373.db2.gz TZCKKYBOGQVNFV-FUPPJEDESA-N 1 1 449.002 4.373 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745164 720834243 /nfs/dbraw/zinc/83/42/43/720834243.db2.gz MCBAUFLBCJSLRR-WOIUINJBSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751879 720857057 /nfs/dbraw/zinc/85/70/57/720857057.db2.gz RLECFMPIXZAMFX-NJDAHSKKSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1csc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164752264 720869636 /nfs/dbraw/zinc/86/96/36/720869636.db2.gz MJMYNKVBQVDSHG-SQJMNOBHSA-N 1 1 449.624 4.150 20 0 IIADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757431 720884246 /nfs/dbraw/zinc/88/42/46/720884246.db2.gz UPSPASUHFVFFGX-AUSIDOKSSA-N 1 1 430.955 4.024 20 0 IIADMO Cc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1Cl ZINC001164758452 720885489 /nfs/dbraw/zinc/88/54/89/720885489.db2.gz YEMPDQPOPOXERE-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754368 720892349 /nfs/dbraw/zinc/89/23/49/720892349.db2.gz IOMLDCVJKBGWNU-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164857723 720894977 /nfs/dbraw/zinc/89/49/77/720894977.db2.gz JFOTYRHYWYIFHV-HSZRJFAPSA-N 1 1 433.600 4.156 20 0 IIADMO Cc1cc2ccncc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755157 720926969 /nfs/dbraw/zinc/92/69/69/720926969.db2.gz ZEILMWAETYSFBP-SHQCIBLASA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2C ZINC001164862722 720992792 /nfs/dbraw/zinc/99/27/92/720992792.db2.gz UDXJQBDKIMZOLO-GFCCVEGCSA-N 1 1 433.334 4.032 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2C ZINC001164862724 720994189 /nfs/dbraw/zinc/99/41/89/720994189.db2.gz UDXJQBDKIMZOLO-LBPRGKRZSA-N 1 1 433.334 4.032 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761647 721157114 /nfs/dbraw/zinc/15/71/14/721157114.db2.gz ABXQCZPRFOXSDD-ZWKOTPCHSA-N 1 1 431.918 4.125 20 0 IIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164881208 721166008 /nfs/dbraw/zinc/16/60/08/721166008.db2.gz ZWGKIRWTLRUICK-GOTSBHOMSA-N 1 1 437.547 4.172 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776585 721338196 /nfs/dbraw/zinc/33/81/96/721338196.db2.gz GQDVQZNAYXBDIU-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776431 721340787 /nfs/dbraw/zinc/34/07/87/721340787.db2.gz BGMGJIAGJNLHFF-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776431 721340793 /nfs/dbraw/zinc/34/07/93/721340793.db2.gz BGMGJIAGJNLHFF-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164780805 721363083 /nfs/dbraw/zinc/36/30/83/721363083.db2.gz HRNGCXMSUHJBJJ-HSZRJFAPSA-N 1 1 448.011 4.151 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164780805 721363088 /nfs/dbraw/zinc/36/30/88/721363088.db2.gz HRNGCXMSUHJBJJ-HSZRJFAPSA-N 1 1 448.011 4.151 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779817 721373878 /nfs/dbraw/zinc/37/38/78/721373878.db2.gz CKYJMKDQYLBNMH-HSZRJFAPSA-N 1 1 448.011 4.286 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779817 721373881 /nfs/dbraw/zinc/37/38/81/721373881.db2.gz CKYJMKDQYLBNMH-HSZRJFAPSA-N 1 1 448.011 4.286 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164789593 721433581 /nfs/dbraw/zinc/43/35/81/721433581.db2.gz VUDIKMKNFZXQRO-HZPDHXFCSA-N 1 1 447.942 4.367 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164787337 721442259 /nfs/dbraw/zinc/44/22/59/721442259.db2.gz WVEUBPYTLBWXBL-DNQXCXABSA-N 1 1 446.599 4.078 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164790411 721455278 /nfs/dbraw/zinc/45/52/78/721455278.db2.gz YVGWREBHQXRRFL-VWLOTQADSA-N 1 1 435.612 4.483 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164790399 721455356 /nfs/dbraw/zinc/45/53/56/721455356.db2.gz YVGWREBHQXRRFL-RUZDIDTESA-N 1 1 435.612 4.483 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793336 721489294 /nfs/dbraw/zinc/48/92/94/721489294.db2.gz QGVUSYLEHXVRJT-UHFFFAOYSA-N 1 1 428.964 4.188 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901992 721491186 /nfs/dbraw/zinc/49/11/86/721491186.db2.gz XWSVFRHSIXKCHW-JTHBVZDNSA-N 1 1 440.632 4.063 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164792314 721495536 /nfs/dbraw/zinc/49/55/36/721495536.db2.gz OCEMXEXGGAURJJ-UHFFFAOYSA-N 1 1 429.568 4.332 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164795075 721502165 /nfs/dbraw/zinc/50/21/65/721502165.db2.gz CQCSGSODICPIPE-UHFFFAOYSA-N 1 1 444.370 4.003 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164796210 721504567 /nfs/dbraw/zinc/50/45/67/721504567.db2.gz PTJVQSKXOMSYKB-UHFFFAOYSA-N 1 1 437.638 4.207 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@H+]3C2)c1 ZINC001164899751 721514435 /nfs/dbraw/zinc/51/44/35/721514435.db2.gz MIGLCSNNVRISQJ-DOTOQJQBSA-N 1 1 448.876 4.309 20 0 IIADMO COc1cccc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794552 721525873 /nfs/dbraw/zinc/52/58/73/721525873.db2.gz FSNQFHHNQRSFHK-WXVUKLJWSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808374 721529945 /nfs/dbraw/zinc/52/99/45/721529945.db2.gz RRRKXARQWDUUBA-SCTDSRPQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808374 721529946 /nfs/dbraw/zinc/52/99/46/721529946.db2.gz RRRKXARQWDUUBA-SCTDSRPQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164804475 721530231 /nfs/dbraw/zinc/53/02/31/721530231.db2.gz JYSRCECGQRWYDD-FRQCXROJSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164804475 721530234 /nfs/dbraw/zinc/53/02/34/721530234.db2.gz JYSRCECGQRWYDD-FRQCXROJSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@H]21 ZINC001164805051 721551473 /nfs/dbraw/zinc/55/14/73/721551473.db2.gz KQAYNAPWHKAVJV-DBXWQHBBSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@H]21 ZINC001164805051 721551477 /nfs/dbraw/zinc/55/14/77/721551477.db2.gz KQAYNAPWHKAVJV-DBXWQHBBSA-N 1 1 444.366 4.200 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c32)C1 ZINC001164807215 721552284 /nfs/dbraw/zinc/55/22/84/721552284.db2.gz QNRCZNKHTTXRJA-LLPLAXKASA-N 1 1 449.624 4.079 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c32)C1 ZINC001164807215 721552286 /nfs/dbraw/zinc/55/22/86/721552286.db2.gz QNRCZNKHTTXRJA-LLPLAXKASA-N 1 1 449.624 4.079 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c32)C1 ZINC001164807216 721552503 /nfs/dbraw/zinc/55/25/03/721552503.db2.gz QNRCZNKHTTXRJA-LOODEUFTSA-N 1 1 449.624 4.079 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c32)C1 ZINC001164807216 721552506 /nfs/dbraw/zinc/55/25/06/721552506.db2.gz QNRCZNKHTTXRJA-LOODEUFTSA-N 1 1 449.624 4.079 20 0 IIADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810501 721555243 /nfs/dbraw/zinc/55/52/43/721555243.db2.gz YNJWFHKOGZJWOL-GIWBLDEGSA-N 1 1 438.959 4.160 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164907013 721562750 /nfs/dbraw/zinc/56/27/50/721562750.db2.gz LUZVEFMXSMKNNI-QUCCMNQESA-N 1 1 447.539 4.234 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164798637 721566473 /nfs/dbraw/zinc/56/64/73/721566473.db2.gz BROBOJWNLZUDGY-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164798637 721566474 /nfs/dbraw/zinc/56/64/74/721566474.db2.gz BROBOJWNLZUDGY-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@H+]3C2)c1 ZINC001164908031 721566764 /nfs/dbraw/zinc/56/67/64/721566764.db2.gz PGXFYVMDMLLISZ-PKOBYXMFSA-N 1 1 437.893 4.336 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164807328 721575864 /nfs/dbraw/zinc/57/58/64/721575864.db2.gz SRNXQMFTABYQSG-ZRCGQRJVSA-N 1 1 449.624 4.142 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164807328 721575867 /nfs/dbraw/zinc/57/58/67/721575867.db2.gz SRNXQMFTABYQSG-ZRCGQRJVSA-N 1 1 449.624 4.142 20 0 IIADMO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)c1 ZINC001164800718 721601715 /nfs/dbraw/zinc/60/17/15/721601715.db2.gz MPXPUBMJVSAXIG-NVQXNPDNSA-N 1 1 436.600 4.081 20 0 IIADMO FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906246 721701112 /nfs/dbraw/zinc/70/11/12/721701112.db2.gz MPGYUOSLOWPPES-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CSc1nc2c(c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907497 721701617 /nfs/dbraw/zinc/70/16/17/721701617.db2.gz UUIQBSDSMJJKGG-JOCHJYFZSA-N 1 1 445.583 4.210 20 0 IIADMO Fc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909062 721726882 /nfs/dbraw/zinc/72/68/82/721726882.db2.gz ALCULUUBDWEEMW-QHCPKHFHSA-N 1 1 439.485 4.415 20 0 IIADMO CCCSc1ncnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164913112 721737358 /nfs/dbraw/zinc/73/73/58/721737358.db2.gz SZTDITNSLADHGH-OAQYLSRUSA-N 1 1 449.571 4.120 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164912114 721743574 /nfs/dbraw/zinc/74/35/74/721743574.db2.gz LQUCHYVQICMPEG-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164912114 721743582 /nfs/dbraw/zinc/74/35/82/721743582.db2.gz LQUCHYVQICMPEG-UHFFFAOYSA-N 1 1 440.931 4.094 20 0 IIADMO COc1ccccc1-c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164912563 721760759 /nfs/dbraw/zinc/76/07/59/721760759.db2.gz ZZQYYCNNHGGFSB-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccccc1-c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164912563 721760760 /nfs/dbraw/zinc/76/07/60/721760760.db2.gz ZZQYYCNNHGGFSB-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]21 ZINC001165024517 721801634 /nfs/dbraw/zinc/80/16/34/721801634.db2.gz LNRVCJQFWFHLTR-FVQBIDKESA-N 1 1 442.341 4.460 20 0 IIADMO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccccc2)n1 ZINC001165027318 721802314 /nfs/dbraw/zinc/80/23/14/721802314.db2.gz VLIXZNKCKKUIMZ-GVXSCFBNSA-N 1 1 443.595 4.422 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026926 721802786 /nfs/dbraw/zinc/80/27/86/721802786.db2.gz SNTNFFLMIRRXHC-NUEKZKHPSA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@@H]21 ZINC001165026891 721807352 /nfs/dbraw/zinc/80/73/52/721807352.db2.gz SAQGFJHKBYTNKY-VDZJLULYSA-N 1 1 427.980 4.027 20 0 IIADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165027683 721809653 /nfs/dbraw/zinc/80/96/53/721809653.db2.gz VNDCCGZCHCLAEK-FJIJXJHWSA-N 1 1 430.552 4.153 20 0 IIADMO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165022740 721812818 /nfs/dbraw/zinc/81/28/18/721812818.db2.gz GZNVABMZRVHLJK-HARLFGEKSA-N 1 1 447.583 4.087 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165024229 721815947 /nfs/dbraw/zinc/81/59/47/721815947.db2.gz JZHZQLZFGWOAIM-SZMVWBNQSA-N 1 1 436.934 4.420 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165029755 721825374 /nfs/dbraw/zinc/82/53/74/721825374.db2.gz XPOCCTGRYPRVLN-NGYIFUPDSA-N 1 1 430.552 4.153 20 0 IIADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165018525 721834998 /nfs/dbraw/zinc/83/49/98/721834998.db2.gz TWCMPWCUDQFIAQ-UHFFFAOYSA-N 1 1 446.592 4.038 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921534 721872638 /nfs/dbraw/zinc/87/26/38/721872638.db2.gz DDYVTVSPCLYLKU-MSOLQXFVSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921534 721872640 /nfs/dbraw/zinc/87/26/40/721872640.db2.gz DDYVTVSPCLYLKU-MSOLQXFVSA-N 1 1 428.005 4.226 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)CC3)C2)cc1 ZINC001164937615 721920192 /nfs/dbraw/zinc/92/01/92/721920192.db2.gz FHLGIVABSNKDMA-UHFFFAOYSA-N 1 1 446.382 4.445 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4COC5(C)C)CC3)C2)cc1 ZINC001164939772 721923648 /nfs/dbraw/zinc/92/36/48/721923648.db2.gz MYFRUQFSXNWABU-UHFFFAOYSA-N 1 1 442.991 4.075 20 0 IIADMO CCOC(=O)c1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ccc1Cl ZINC001164940743 721929876 /nfs/dbraw/zinc/92/98/76/721929876.db2.gz ZTIICVGTIZRPIJ-UHFFFAOYSA-N 1 1 443.975 4.092 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939627 721930651 /nfs/dbraw/zinc/93/06/51/721930651.db2.gz NIESGSGQMYIULS-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc(C)c4C)CC3)C2)cc1 ZINC001164939094 721932171 /nfs/dbraw/zinc/93/21/71/721932171.db2.gz JAIXLXRCIXBVRX-UHFFFAOYSA-N 1 1 443.595 4.335 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164947739 721976300 /nfs/dbraw/zinc/97/63/00/721976300.db2.gz RVHSMAXPURUGKD-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164947739 721976303 /nfs/dbraw/zinc/97/63/03/721976303.db2.gz RVHSMAXPURUGKD-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO CC1(C)C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165051556 721994957 /nfs/dbraw/zinc/99/49/57/721994957.db2.gz JASAFEGYOCICDP-UHFFFAOYSA-N 1 1 441.626 4.121 20 0 IIADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055202 722019686 /nfs/dbraw/zinc/01/96/86/722019686.db2.gz LWGBVSXLNOBHGV-UHFFFAOYSA-N 1 1 430.339 4.335 20 0 IIADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164964718 722024023 /nfs/dbraw/zinc/02/40/23/722024023.db2.gz XVCBYTIIBNVRMZ-UHFFFAOYSA-N 1 1 429.568 4.252 20 0 IIADMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164957432 722024052 /nfs/dbraw/zinc/02/40/52/722024052.db2.gz BUZRUUPKYAVGJH-UHFFFAOYSA-N 1 1 434.975 4.388 20 0 IIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980742 722103499 /nfs/dbraw/zinc/10/34/99/722103499.db2.gz KEWKNWFMTJVSMT-NVXWUHKLSA-N 1 1 443.325 4.056 20 0 IIADMO Fc1ccc2cc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983428 722107800 /nfs/dbraw/zinc/10/78/00/722107800.db2.gz QBJIXJHFQMXCDE-RXVVDRJESA-N 1 1 426.923 4.150 20 0 IIADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976378 722116680 /nfs/dbraw/zinc/11/66/80/722116680.db2.gz LMCAVLOAYCXJFY-UZLBHIALSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978252 722119149 /nfs/dbraw/zinc/11/91/49/722119149.db2.gz OCKSIUAPRXFONV-NQIIRXRSSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971860 722121422 /nfs/dbraw/zinc/12/14/22/722121422.db2.gz CUWIOTYJZTYVGS-HOCLYGCPSA-N 1 1 427.763 4.164 20 0 IIADMO CCCCOc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982262 722135387 /nfs/dbraw/zinc/13/53/87/722135387.db2.gz RLMBEUTZWUNEJP-UGKGYDQZSA-N 1 1 430.980 4.036 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982593 722146165 /nfs/dbraw/zinc/14/61/65/722146165.db2.gz RRJCHVONZCLQQR-UKILVPOCSA-N 1 1 446.620 4.496 20 0 IIADMO Fc1cc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164972223 722152664 /nfs/dbraw/zinc/15/26/64/722152664.db2.gz HCFLDEMFAZUKLF-XMSQKQJNSA-N 1 1 426.923 4.150 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@@H]3COCC)CC2)nc1 ZINC001164991054 722187720 /nfs/dbraw/zinc/18/77/20/722187720.db2.gz NXRHFMXZGIYWRQ-GOTSBHOMSA-N 1 1 442.648 4.120 20 0 IIADMO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cs2)c1 ZINC001460855704 1126192150 /nfs/dbraw/zinc/19/21/50/1126192150.db2.gz CVTMUWLSAHLROB-XMMPIXPASA-N 1 1 441.572 4.164 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001164402691 718858480 /nfs/dbraw/zinc/85/84/80/718858480.db2.gz LHRQFWGEKMZZMR-MSOLQXFVSA-N 1 1 435.597 4.322 20 0 IIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627937 719070084 /nfs/dbraw/zinc/07/00/84/719070084.db2.gz RLQGTJHBMUNMMU-QFBILLFUSA-N 1 1 435.902 4.167 20 0 IIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629921 719092036 /nfs/dbraw/zinc/09/20/36/719092036.db2.gz UFUDNYWSOGNYBO-APWZRJJASA-N 1 1 429.902 4.324 20 0 IIADMO CSc1ccc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc1Cl ZINC001164647520 719312171 /nfs/dbraw/zinc/31/21/71/719312171.db2.gz CBXKGLYWLQUQDM-UHFFFAOYSA-N 1 1 429.968 4.404 20 0 IIADMO CCOC[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)Cc2nn(CC3CC3)cc21 ZINC001164665463 719363518 /nfs/dbraw/zinc/36/35/18/719363518.db2.gz XAYROBQBNVENAL-IBGZPJMESA-N 1 1 429.996 4.078 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164688153 719599672 /nfs/dbraw/zinc/59/96/72/719599672.db2.gz UPEBTQOPBSYLTH-XUZZJYLKSA-N 1 1 446.599 4.330 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164688151 719600288 /nfs/dbraw/zinc/60/02/88/719600288.db2.gz UPEBTQOPBSYLTH-QPPBQGQZSA-N 1 1 446.599 4.330 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805913 720089545 /nfs/dbraw/zinc/08/95/45/720089545.db2.gz APZNGFKXVAVDEL-AUUYWEPGSA-N 1 1 442.963 4.074 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164711047 720093491 /nfs/dbraw/zinc/09/34/91/720093491.db2.gz NMIBAKZWQKUYQF-IBGZPJMESA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812224 720100878 /nfs/dbraw/zinc/10/08/78/720100878.db2.gz PYCGODOMVZSTEE-UWJYYQICSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810537 720107216 /nfs/dbraw/zinc/10/72/16/720107216.db2.gz JZHYUEIPEWYLIA-DYESRHJHSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813908 720110219 /nfs/dbraw/zinc/11/02/19/720110219.db2.gz RPIUFLGVZYIMBC-CUNXSJBXSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813362 720128445 /nfs/dbraw/zinc/12/84/45/720128445.db2.gz QHROBNRWEOZTNI-HNAYVOBHSA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164713932 720139257 /nfs/dbraw/zinc/13/92/57/720139257.db2.gz UEWQIMNYTUPTQH-HSZRJFAPSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164711724 720146823 /nfs/dbraw/zinc/14/68/23/720146823.db2.gz ILGSGVSMXZENHN-NRFANRHFSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164711115 720153932 /nfs/dbraw/zinc/15/39/32/720153932.db2.gz FMWULYLRNUBSSH-IBGZPJMESA-N 1 1 429.996 4.156 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817977 720160193 /nfs/dbraw/zinc/16/01/93/720160193.db2.gz QSYVHYAMNAPYOI-LXFBAYGMSA-N 1 1 442.607 4.405 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817980 720160305 /nfs/dbraw/zinc/16/03/05/720160305.db2.gz QSYVHYAMNAPYOI-NEKDWFFYSA-N 1 1 442.607 4.405 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816686 720182234 /nfs/dbraw/zinc/18/22/34/720182234.db2.gz MEEMXTLBMGDLKX-WXVAWEFUSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810304 720198041 /nfs/dbraw/zinc/19/80/41/720198041.db2.gz BRQCBNVJYIMPPI-NTKDMRAZSA-N 1 1 442.991 4.415 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(-c4cccc(Cl)n4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835819 720546589 /nfs/dbraw/zinc/54/65/89/720546589.db2.gz HYXRTFLQVNMNPO-CNNODRBYSA-N 1 1 436.991 4.371 20 0 IIADMO 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 720585660 /nfs/dbraw/zinc/58/56/60/720585660.db2.gz AOHVHHFHJIMNBM-BZSNNMDCSA-N 1 1 448.949 4.336 20 0 IIADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841532 720640224 /nfs/dbraw/zinc/64/02/24/720640224.db2.gz SPZNOUGBKFWOID-SXWKCWPCSA-N 1 1 434.563 4.165 20 0 IIADMO 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 720646633 /nfs/dbraw/zinc/64/66/33/720646633.db2.gz QAJDZAQNMFTDKY-IHPCNDPISA-N 1 1 449.977 4.429 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841253 720683040 /nfs/dbraw/zinc/68/30/40/720683040.db2.gz IPOICGXYBPDGTE-QHCPKHFHSA-N 1 1 445.563 4.281 20 0 IIADMO COc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(C)c2c1 ZINC001164842647 720698072 /nfs/dbraw/zinc/69/80/72/720698072.db2.gz MBAIVLISXSRPNR-NRFANRHFSA-N 1 1 432.568 4.207 20 0 IIADMO CCOC(=O)c1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164836947 720704479 /nfs/dbraw/zinc/70/44/79/720704479.db2.gz BZXFUEIBLLKSOZ-LJQANCHMSA-N 1 1 443.975 4.172 20 0 IIADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccn2)n1 ZINC001164838317 720709834 /nfs/dbraw/zinc/70/98/34/720709834.db2.gz HZEHGFPGGLBRQB-JOCHJYFZSA-N 1 1 429.568 4.107 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739998 720840535 /nfs/dbraw/zinc/84/05/35/720840535.db2.gz BKVSGGKUNIDVQK-JAXLGGSGSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164750709 720884742 /nfs/dbraw/zinc/88/47/42/720884742.db2.gz BPOLQNRFJJAOIG-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO Fc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758129 720887511 /nfs/dbraw/zinc/88/75/11/720887511.db2.gz WZYDWKOCGWSANF-CVDCTZTESA-N 1 1 430.955 4.024 20 0 IIADMO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753743 720934939 /nfs/dbraw/zinc/93/49/39/720934939.db2.gz SLYYTYWSFIQRGP-BVAGGSTKSA-N 1 1 435.616 4.059 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@@H]2C ZINC001164857199 721007748 /nfs/dbraw/zinc/00/77/48/721007748.db2.gz DAASVDXJSXWOCI-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@H]2C ZINC001164857298 721018325 /nfs/dbraw/zinc/01/83/25/721018325.db2.gz CLUMZGNHSUZNDU-KRWDZBQOSA-N 1 1 440.979 4.327 20 0 IIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764997 721163978 /nfs/dbraw/zinc/16/39/78/721163978.db2.gz HKBOLDKQGITXQO-HZPDHXFCSA-N 1 1 446.382 4.242 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772368 721203623 /nfs/dbraw/zinc/20/36/23/721203623.db2.gz TVVTVAGKOSTONY-QUCCMNQESA-N 1 1 430.581 4.050 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCc3c(COCc4ccccn4)cncc3C2)n1 ZINC001164764678 721270537 /nfs/dbraw/zinc/27/05/37/721270537.db2.gz HVMFKCWIJVNEIM-UHFFFAOYSA-N 1 1 449.986 4.400 20 0 IIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164775341 721300676 /nfs/dbraw/zinc/30/06/76/721300676.db2.gz VXDLSJNDCOPCFK-UHFFFAOYSA-N 1 1 433.625 4.342 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776427 721340626 /nfs/dbraw/zinc/34/06/26/721340626.db2.gz BGMGJIAGJNLHFF-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776427 721340630 /nfs/dbraw/zinc/34/06/30/721340630.db2.gz BGMGJIAGJNLHFF-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779053 721347581 /nfs/dbraw/zinc/34/75/81/721347581.db2.gz PTARPNJQSQNTRU-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779818 721373443 /nfs/dbraw/zinc/37/34/43/721373443.db2.gz CKYJMKDQYLBNMH-QHCPKHFHSA-N 1 1 448.011 4.286 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779818 721373451 /nfs/dbraw/zinc/37/34/51/721373451.db2.gz CKYJMKDQYLBNMH-QHCPKHFHSA-N 1 1 448.011 4.286 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C2)n1)CCCCC3 ZINC001164789687 721427383 /nfs/dbraw/zinc/42/73/83/721427383.db2.gz WIWLREYPGXBLKZ-HOTGVXAUSA-N 1 1 425.627 4.293 20 0 IIADMO COc1cccc(-c2nc3ccccc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786615 721431315 /nfs/dbraw/zinc/43/13/15/721431315.db2.gz PDGXZVGOYNHLKU-RTBURBONSA-N 1 1 443.576 4.330 20 0 IIADMO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(C[N@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785055 721444906 /nfs/dbraw/zinc/44/49/06/721444906.db2.gz RLGMVRKJSLQYTB-HYBUGGRVSA-N 1 1 442.629 4.033 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164786868 721458445 /nfs/dbraw/zinc/45/84/45/721458445.db2.gz QCFPNWDTZSBEHE-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164788579 721460795 /nfs/dbraw/zinc/46/07/95/721460795.db2.gz UIQLLKGMDKJFLS-OAQYLSRUSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164785442 721462116 /nfs/dbraw/zinc/46/21/16/721462116.db2.gz LHENETLEGRULAX-NRFANRHFSA-N 1 1 445.007 4.017 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164897008 721474086 /nfs/dbraw/zinc/47/40/86/721474086.db2.gz ZGNUPFQPGOVCGQ-XMMPIXPASA-N 1 1 432.612 4.430 20 0 IIADMO CCOC(=O)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1Cl ZINC001164793784 721490804 /nfs/dbraw/zinc/49/08/04/721490804.db2.gz WGUZFLPVTFTSNW-UHFFFAOYSA-N 1 1 428.964 4.188 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901987 721490847 /nfs/dbraw/zinc/49/08/47/721490847.db2.gz XWSVFRHSIXKCHW-GGAORHGYSA-N 1 1 440.632 4.063 20 0 IIADMO COc1ccccc1-c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796826 721500771 /nfs/dbraw/zinc/50/07/71/721500771.db2.gz ZGTYPGOBMDEWFE-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795587 721505535 /nfs/dbraw/zinc/50/55/35/721505535.db2.gz LZRUYGLQMLPUAE-CUNXSJBXSA-N 1 1 441.579 4.115 20 0 IIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795587 721505538 /nfs/dbraw/zinc/50/55/38/721505538.db2.gz LZRUYGLQMLPUAE-CUNXSJBXSA-N 1 1 441.579 4.115 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 ZINC001164898045 721507097 /nfs/dbraw/zinc/50/70/97/721507097.db2.gz HNZDMSLOZPFKIM-QHCPKHFHSA-N 1 1 433.600 4.185 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802556 721531842 /nfs/dbraw/zinc/53/18/42/721531842.db2.gz HAFXZUXRZBZJCO-KSZLIROESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802556 721531845 /nfs/dbraw/zinc/53/18/45/721531845.db2.gz HAFXZUXRZBZJCO-KSZLIROESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164809016 721532151 /nfs/dbraw/zinc/53/21/51/721532151.db2.gz TZGYPJMUVHABKD-ZHALLVOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164809016 721532154 /nfs/dbraw/zinc/53/21/54/721532154.db2.gz TZGYPJMUVHABKD-ZHALLVOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164801356 721540691 /nfs/dbraw/zinc/54/06/91/721540691.db2.gz FANOSKLAOBVQSL-HDMKZQKVSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164801356 721540694 /nfs/dbraw/zinc/54/06/94/721540694.db2.gz FANOSKLAOBVQSL-HDMKZQKVSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164807159 721548644 /nfs/dbraw/zinc/54/86/44/721548644.db2.gz PQQJIFPSVQMGLZ-SYYKKAFVSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807805 721553064 /nfs/dbraw/zinc/55/30/64/721553064.db2.gz RJXNTIQIEJIWNT-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807805 721553068 /nfs/dbraw/zinc/55/30/68/721553068.db2.gz RJXNTIQIEJIWNT-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@H]12 ZINC001164803039 721553421 /nfs/dbraw/zinc/55/34/21/721553421.db2.gz HLVGJNRCQWZGFT-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@H]12 ZINC001164803039 721553424 /nfs/dbraw/zinc/55/34/24/721553424.db2.gz HLVGJNRCQWZGFT-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906564 721555489 /nfs/dbraw/zinc/55/54/89/721555489.db2.gz KCKUPUHNTLCLOM-CTNGQTDRSA-N 1 1 445.498 4.074 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CC[N@H+]3C2)c1 ZINC001164911874 721556783 /nfs/dbraw/zinc/55/67/83/721556783.db2.gz ZSBQVZRZIJGPES-DOTOQJQBSA-N 1 1 448.876 4.309 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@H+]3C2)c1 ZINC001164910822 721558901 /nfs/dbraw/zinc/55/89/01/721558901.db2.gz XLDZYQMUSARKGQ-PKOBYXMFSA-N 1 1 442.897 4.417 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)c1 ZINC001164807430 721570950 /nfs/dbraw/zinc/57/09/50/721570950.db2.gz TTZWGPOEADUUIN-WRALFONMSA-N 1 1 447.608 4.199 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)c1 ZINC001164807430 721570954 /nfs/dbraw/zinc/57/09/54/721570954.db2.gz TTZWGPOEADUUIN-WRALFONMSA-N 1 1 447.608 4.199 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805434 721576078 /nfs/dbraw/zinc/57/60/78/721576078.db2.gz NVHNCCPKOUDWKR-SELNLUPBSA-N 1 1 449.624 4.006 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805434 721576080 /nfs/dbraw/zinc/57/60/80/721576080.db2.gz NVHNCCPKOUDWKR-SELNLUPBSA-N 1 1 449.624 4.006 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164807323 721576113 /nfs/dbraw/zinc/57/61/13/721576113.db2.gz SRNXQMFTABYQSG-QTEQDKRBSA-N 1 1 449.624 4.142 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164807323 721576115 /nfs/dbraw/zinc/57/61/15/721576115.db2.gz SRNXQMFTABYQSG-QTEQDKRBSA-N 1 1 449.624 4.142 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164808319 721581708 /nfs/dbraw/zinc/58/17/08/721581708.db2.gz QKVHCWPOONYGRU-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164808319 721581709 /nfs/dbraw/zinc/58/17/09/721581709.db2.gz QKVHCWPOONYGRU-AKFKNWHVSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164806279 721585217 /nfs/dbraw/zinc/58/52/17/721585217.db2.gz MSWPOKKFSRPIGN-TZBSWOFLSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164806279 721585219 /nfs/dbraw/zinc/58/52/19/721585219.db2.gz MSWPOKKFSRPIGN-TZBSWOFLSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164806176 721587300 /nfs/dbraw/zinc/58/73/00/721587300.db2.gz MCNYPMHCESGMAB-ZDXQCDESSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164806176 721587301 /nfs/dbraw/zinc/58/73/01/721587301.db2.gz MCNYPMHCESGMAB-ZDXQCDESSA-N 1 1 447.608 4.032 20 0 IIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905623 721587468 /nfs/dbraw/zinc/58/74/68/721587468.db2.gz KGLIZPQLPNQUFB-QHCPKHFHSA-N 1 1 444.526 4.170 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164811310 721587755 /nfs/dbraw/zinc/58/77/55/721587755.db2.gz XFPJRMQJIABWEB-YPAWHYETSA-N 1 1 426.923 4.291 20 0 IIADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588329 /nfs/dbraw/zinc/58/83/29/721588329.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 1 1 449.643 4.282 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588331 /nfs/dbraw/zinc/58/83/31/721588331.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 1 1 449.643 4.282 20 0 IIADMO FC1(F)CCN(c2ncnc3c(Cl)cccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906987 721693139 /nfs/dbraw/zinc/69/31/39/721693139.db2.gz QCISOAFUKBEXFU-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncnc3cc(Cl)ccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907066 721698294 /nfs/dbraw/zinc/69/82/94/721698294.db2.gz QVDWJSYCGPGWPJ-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCc1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905558 721703061 /nfs/dbraw/zinc/70/30/61/721703061.db2.gz JVOIKJUSIOCTJZ-OAQYLSRUSA-N 1 1 429.540 4.386 20 0 IIADMO CCc1c(Cl)nnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1CC ZINC001164908070 721707090 /nfs/dbraw/zinc/70/70/90/721707090.db2.gz UZISBCAGUJKVGF-NRFANRHFSA-N 1 1 435.950 4.388 20 0 IIADMO CSc1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908931 721709648 /nfs/dbraw/zinc/70/96/48/721709648.db2.gz ZORQIYDRRVYPGX-JOCHJYFZSA-N 1 1 441.551 4.484 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164904982 721711089 /nfs/dbraw/zinc/71/10/89/721711089.db2.gz GHELFWFRPJNMOK-HSZRJFAPSA-N 1 1 444.526 4.008 20 0 IIADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)nn1 ZINC001164912960 721725248 /nfs/dbraw/zinc/72/52/48/721725248.db2.gz RUTHTZZTEBQCTI-GOSISDBHSA-N 1 1 443.876 4.116 20 0 IIADMO FC1(F)CCN(c2ccnc(Cc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913980 721728433 /nfs/dbraw/zinc/72/84/33/721728433.db2.gz ZVUMXDDFNWNISW-XMMPIXPASA-N 1 1 435.522 4.200 20 0 IIADMO FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912881 721735564 /nfs/dbraw/zinc/73/55/64/721735564.db2.gz QVLOGUIFXWBBMV-QHCPKHFHSA-N 1 1 443.542 4.178 20 0 IIADMO FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913545 721738541 /nfs/dbraw/zinc/73/85/41/721738541.db2.gz WXMXRJAAXOZDEJ-HSZRJFAPSA-N 1 1 438.526 4.358 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)s1 ZINC001164910601 721763807 /nfs/dbraw/zinc/76/38/07/721763807.db2.gz IXQBTXJRNFJZNW-UHFFFAOYSA-N 1 1 446.580 4.400 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)s1 ZINC001164910601 721763812 /nfs/dbraw/zinc/76/38/12/721763812.db2.gz IXQBTXJRNFJZNW-UHFFFAOYSA-N 1 1 446.580 4.400 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020283 721799947 /nfs/dbraw/zinc/79/99/47/721799947.db2.gz DVAWBTKPPWPBSO-VDGAXYAQSA-N 1 1 428.964 4.044 20 0 IIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027573 721807832 /nfs/dbraw/zinc/80/78/32/721807832.db2.gz WJQSMCRWWSTZIE-YSIASYRMSA-N 1 1 442.991 4.352 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001165025397 721807971 /nfs/dbraw/zinc/80/79/71/721807971.db2.gz NXXTULQXWLMTSR-HLAWJBBLSA-N 1 1 434.975 4.324 20 0 IIADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2n1 ZINC001165025253 721814501 /nfs/dbraw/zinc/81/45/01/721814501.db2.gz MBUWPUSWHYOXNB-HQRMLTQVSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165024195 721815025 /nfs/dbraw/zinc/81/50/25/721815025.db2.gz JOPPFYKTCYOXIL-QRFRQXIXSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]21 ZINC001165027787 721815295 /nfs/dbraw/zinc/81/52/95/721815295.db2.gz VXTUILDEQGNKGD-WTIAFYNJSA-N 1 1 440.035 4.463 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]21 ZINC001165025742 721824557 /nfs/dbraw/zinc/82/45/57/721824557.db2.gz NOTOHVMHVDJTJJ-ZAAXVRCTSA-N 1 1 447.961 4.296 20 0 IIADMO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165026114 721825465 /nfs/dbraw/zinc/82/54/65/721825465.db2.gz OFEQIUFAMBTSAY-APTRMMRNSA-N 1 1 429.568 4.284 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165028382 721827536 /nfs/dbraw/zinc/82/75/36/721827536.db2.gz VRLXYVZYFOKASP-ODGPQVTHSA-N 1 1 428.584 4.287 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165029665 721827690 /nfs/dbraw/zinc/82/76/90/721827690.db2.gz XKSOSDHJEIJEFG-XWGVYQGASA-N 1 1 428.584 4.287 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]21 ZINC001165023246 721828092 /nfs/dbraw/zinc/82/80/92/721828092.db2.gz IIXZRWUDIUDSQF-QFZRFWILSA-N 1 1 440.595 4.159 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927441 721864028 /nfs/dbraw/zinc/86/40/28/721864028.db2.gz VRDVCLZTFWRFBP-FCHUYYIVSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927441 721864030 /nfs/dbraw/zinc/86/40/30/721864030.db2.gz VRDVCLZTFWRFBP-FCHUYYIVSA-N 1 1 449.002 4.074 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164937960 721920114 /nfs/dbraw/zinc/92/01/14/721920114.db2.gz IJCBPOKGRLSBGP-UHFFFAOYSA-N 1 1 443.975 4.092 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(C)cc(Cl)n4)CC3)C2)cc1 ZINC001164937295 721921203 /nfs/dbraw/zinc/92/12/03/721921203.db2.gz BCEUADVEWBHBJB-UHFFFAOYSA-N 1 1 436.934 4.163 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5cccc(F)c5)nn4)CC3)C2)cc1 ZINC001164939403 721931858 /nfs/dbraw/zinc/93/18/58/721931858.db2.gz KIKBMTXCIOJTCQ-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164945102 721971774 /nfs/dbraw/zinc/97/17/74/721971774.db2.gz OWESICVXMUIXJV-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164945102 721971777 /nfs/dbraw/zinc/97/17/77/721971777.db2.gz OWESICVXMUIXJV-UHFFFAOYSA-N 1 1 434.971 4.168 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052193 721999482 /nfs/dbraw/zinc/99/94/82/721999482.db2.gz OVIQBYZYVKGXTF-MRXNPFEDSA-N 1 1 440.539 4.216 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1)C1CC1 ZINC001164955840 722021355 /nfs/dbraw/zinc/02/13/55/722021355.db2.gz OSRVXVHHTMZWTG-QHCPKHFHSA-N 1 1 434.584 4.026 20 0 IIADMO Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(Cl)n1 ZINC001164961958 722052408 /nfs/dbraw/zinc/05/24/08/722052408.db2.gz ZVSMPOSXETUQMB-UHFFFAOYSA-N 1 1 436.934 4.102 20 0 IIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985831 722101609 /nfs/dbraw/zinc/10/16/09/722101609.db2.gz XBMFDKXVGUEJHK-WBVHZDCISA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985257 722101681 /nfs/dbraw/zinc/10/16/81/722101681.db2.gz VUCLJFFBPZJSFZ-MAUKXSAKSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982145 722102943 /nfs/dbraw/zinc/10/29/43/722102943.db2.gz MZAZAWIMCPJARV-YJBOKZPZSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982193 722116257 /nfs/dbraw/zinc/11/62/57/722116257.db2.gz WGMLMMVYAUBXFU-WBVHZDCISA-N 1 1 443.325 4.056 20 0 IIADMO Fc1cccc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977896 722155198 /nfs/dbraw/zinc/15/51/98/722155198.db2.gz ZDWREODKQGXMOG-LAUBAEHRSA-N 1 1 426.923 4.150 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974688 722159146 /nfs/dbraw/zinc/15/91/46/722159146.db2.gz OWUMDDJHXCVMKJ-WZONZLPQSA-N 1 1 438.959 4.019 20 0 IIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995940 722207853 /nfs/dbraw/zinc/20/78/53/722207853.db2.gz QEPMOLQBYVHOHS-RXFWQSSRSA-N 1 1 436.575 4.338 20 0 IIADMO C[N@@H+](Cc1ccc(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1)C1CC1 ZINC001164998046 722221998 /nfs/dbraw/zinc/22/19/98/722221998.db2.gz GXVWYCHYNLTIEW-VWLOTQADSA-N 1 1 430.596 4.256 20 0 IIADMO OC[C@@]1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOc2ccccc21 ZINC000441343947 1126093380 /nfs/dbraw/zinc/09/33/80/1126093380.db2.gz CWAWOZDRHHHRGA-FQEVSTJZSA-N 1 1 431.355 4.333 20 0 IIADMO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473840380 1126200943 /nfs/dbraw/zinc/20/09/43/1126200943.db2.gz WTRDDWHULPSMDO-IBGZPJMESA-N 1 1 436.737 4.236 20 0 IIADMO OC1(c2ccc(Br)cc2)CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000757878 562919134 /nfs/dbraw/zinc/91/91/34/562919134.db2.gz COYYISTXBUNJNG-UHFFFAOYSA-N 1 1 443.429 4.440 20 0 IIADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164424762 718928306 /nfs/dbraw/zinc/92/83/06/718928306.db2.gz PISIPHGDUIBFNX-HZPDHXFCSA-N 1 1 434.556 4.026 20 0 IIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164441259 718990041 /nfs/dbraw/zinc/99/00/41/718990041.db2.gz XUBPKEHGKOZODS-UHFFFAOYSA-N 1 1 428.874 4.359 20 0 IIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2n1 ZINC001164621012 719067325 /nfs/dbraw/zinc/06/73/25/719067325.db2.gz GBSNHXGNSHTZMW-ZIAGYGMSSA-N 1 1 449.773 4.481 20 0 IIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627235 719078732 /nfs/dbraw/zinc/07/87/32/719078732.db2.gz PYQLMVHOEAETIY-UNMCSNQZSA-N 1 1 447.583 4.079 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164653554 719316060 /nfs/dbraw/zinc/31/60/60/719316060.db2.gz VKGYFUFIJYPJLX-UHFFFAOYSA-N 1 1 428.943 4.338 20 0 IIADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164665686 719360066 /nfs/dbraw/zinc/36/00/66/719360066.db2.gz YIKSMQQMTJSWNZ-FQEVSTJZSA-N 1 1 441.645 4.172 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH]1 ZINC001164699238 719897227 /nfs/dbraw/zinc/89/72/27/719897227.db2.gz XZMGBAUNPAAXSC-UHFFFAOYSA-N 1 1 431.993 4.107 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810539 720107462 /nfs/dbraw/zinc/10/74/62/720107462.db2.gz JZHYUEIPEWYLIA-LAUBAEHRSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164719508 720110401 /nfs/dbraw/zinc/11/04/01/720110401.db2.gz XRBGEUHSAWGPHA-HXUWFJFHSA-N 1 1 437.975 4.186 20 0 IIADMO CCc1cc2c(ncnc2N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)s1 ZINC001164714308 720116230 /nfs/dbraw/zinc/11/62/30/720116230.db2.gz BTLMYPNHDMMCJQ-LJQANCHMSA-N 1 1 437.613 4.156 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164718580 720120050 /nfs/dbraw/zinc/12/00/50/720120050.db2.gz SQAKQTRLVWEJLZ-NRFANRHFSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164711631 720131375 /nfs/dbraw/zinc/13/13/75/720131375.db2.gz HMPLFZHHNABKEE-HSZRJFAPSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809700 720135782 /nfs/dbraw/zinc/13/57/82/720135782.db2.gz IGNREWGLIYUVCY-WIYYLYMNSA-N 1 1 436.934 4.013 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)cc(Cl)n1)CCC2 ZINC001164813534 720222991 /nfs/dbraw/zinc/22/29/91/720222991.db2.gz NRLDONJWJSNBPZ-UHFFFAOYSA-N 1 1 437.975 4.209 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726888 720444029 /nfs/dbraw/zinc/44/40/29/720444029.db2.gz CGFFSTSJMBTVGM-MOPGFXCFSA-N 1 1 425.895 4.310 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726997 720446843 /nfs/dbraw/zinc/44/68/43/720446843.db2.gz CPEYLBMNWKTVIG-ROUUACIJSA-N 1 1 431.874 4.183 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726997 720446845 /nfs/dbraw/zinc/44/68/45/720446845.db2.gz CPEYLBMNWKTVIG-ROUUACIJSA-N 1 1 431.874 4.183 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731589 720497868 /nfs/dbraw/zinc/49/78/68/720497868.db2.gz WPIRSQDRSGJYMX-HXOBKFHXSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731589 720497876 /nfs/dbraw/zinc/49/78/76/720497876.db2.gz WPIRSQDRSGJYMX-HXOBKFHXSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]21 ZINC001164836087 720516051 /nfs/dbraw/zinc/51/60/51/720516051.db2.gz MHABQVMOFRYWBP-RRPUWOKSSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)(C)N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734072 720544634 /nfs/dbraw/zinc/54/46/34/720544634.db2.gz HFZBORZJCIALDD-QHCPKHFHSA-N 1 1 434.628 4.156 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nnc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838966 720547131 /nfs/dbraw/zinc/54/71/31/720547131.db2.gz PESZVLUPIAUHDP-QHAWAJNXSA-N 1 1 436.991 4.371 20 0 IIADMO 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 720593293 /nfs/dbraw/zinc/59/32/93/720593293.db2.gz BPJYVVIZEOEUNP-JBACZVJFSA-N 1 1 440.592 4.003 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836813 720633883 /nfs/dbraw/zinc/63/38/83/720633883.db2.gz GYHOCEMWAOFMAW-RIFZZMRRSA-N 1 1 444.505 4.281 20 0 IIADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837782 720638678 /nfs/dbraw/zinc/63/86/78/720638678.db2.gz JJGRACVEXXMSGD-YOSAUDMPSA-N 1 1 434.563 4.165 20 0 IIADMO Cc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843300 720672230 /nfs/dbraw/zinc/67/22/30/720672230.db2.gz VYCDBVOGFFYBLK-SFHVURJKSA-N 1 1 436.934 4.243 20 0 IIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164840565 720679201 /nfs/dbraw/zinc/67/92/01/720679201.db2.gz GPLBZMQHALJQHI-SFHVURJKSA-N 1 1 425.964 4.180 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164839859 720718896 /nfs/dbraw/zinc/71/88/96/720718896.db2.gz NVAXWTJXAPHALB-XMMPIXPASA-N 1 1 428.580 4.327 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164848919 720755312 /nfs/dbraw/zinc/75/53/12/720755312.db2.gz QYRPLTDIOLFARM-KOSHJBKYSA-N 1 1 441.645 4.322 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164845095 720774356 /nfs/dbraw/zinc/77/43/56/720774356.db2.gz DNYUJWPNUQUIBQ-VSKRKVRLSA-N 1 1 442.991 4.069 20 0 IIADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744023 720827274 /nfs/dbraw/zinc/82/72/74/720827274.db2.gz TZCKKYBOGQVNFV-MQSCRBSSSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754587 720879354 /nfs/dbraw/zinc/87/93/54/720879354.db2.gz SBQGTOVLJMEMGX-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO F[C@H](c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757909 720889225 /nfs/dbraw/zinc/88/92/25/720889225.db2.gz WJRVPGHMFQTGDQ-XWGVYQGASA-N 1 1 444.982 4.349 20 0 IIADMO c1cc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2s1 ZINC001164751604 720896000 /nfs/dbraw/zinc/89/60/00/720896000.db2.gz COSIGAVQCGOTAQ-WIOPSUGQSA-N 1 1 434.609 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@@H]2C ZINC001164857976 721002074 /nfs/dbraw/zinc/00/20/74/721002074.db2.gz FLZMXCSTUHRZPQ-GOSISDBHSA-N 1 1 427.556 4.310 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763811 721032169 /nfs/dbraw/zinc/03/21/69/721032169.db2.gz LJSUZCCUTWFHMZ-BFLUCZKCSA-N 1 1 436.600 4.368 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771185 721055802 /nfs/dbraw/zinc/05/58/02/721055802.db2.gz LXARDIPFBUQSDI-SGNDLWITSA-N 1 1 433.600 4.102 20 0 IIADMO c1ccc(-c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164865378 721083979 /nfs/dbraw/zinc/08/39/79/721083979.db2.gz KQNGVEJGKCDRJY-DHIUTWEWSA-N 1 1 437.547 4.172 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768136 721113393 /nfs/dbraw/zinc/11/33/93/721113393.db2.gz NJLUAEQGXWOLKD-ROUUACIJSA-N 1 1 431.918 4.125 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772227 721113517 /nfs/dbraw/zinc/11/35/17/721113517.db2.gz UNAVBKOTMZRMGA-QZTJIDSGSA-N 1 1 431.918 4.125 20 0 IIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866709 721118299 /nfs/dbraw/zinc/11/82/99/721118299.db2.gz USRJRDLEHSLTKY-ZWKOTPCHSA-N 1 1 444.913 4.308 20 0 IIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164881207 721164214 /nfs/dbraw/zinc/16/42/14/721164214.db2.gz ZWGKIRWTLRUICK-DHIUTWEWSA-N 1 1 437.547 4.172 20 0 IIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764995 721165720 /nfs/dbraw/zinc/16/57/20/721165720.db2.gz HKBOLDKQGITXQO-HOTGVXAUSA-N 1 1 446.382 4.242 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767627 721184212 /nfs/dbraw/zinc/18/42/12/721184212.db2.gz KFYMIQPOUHCFSN-NHCUHLMSSA-N 1 1 437.975 4.006 20 0 IIADMO Fc1ccc(F)c2c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164867864 721190874 /nfs/dbraw/zinc/19/08/74/721190874.db2.gz ITGCIXCODQMQQV-CVEARBPZSA-N 1 1 430.886 4.041 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868856 721194417 /nfs/dbraw/zinc/19/44/17/721194417.db2.gz OGEYTZZPBZCJCY-RBUKOAKNSA-N 1 1 434.918 4.032 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772417 721200846 /nfs/dbraw/zinc/20/08/46/721200846.db2.gz UOBRYPWVTCPSLL-SFTDATJTSA-N 1 1 442.542 4.128 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759445 721249038 /nfs/dbraw/zinc/24/90/38/721249038.db2.gz AJGPTADYBIQKNA-ROUUACIJSA-N 1 1 449.977 4.241 20 0 IIADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164772060 721287266 /nfs/dbraw/zinc/28/72/66/721287266.db2.gz DILVULQIVZVBGT-UHFFFAOYSA-N 1 1 429.298 4.283 20 0 IIADMO CCN1CC[C@@]2(CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C)C1=O ZINC001164779015 721321904 /nfs/dbraw/zinc/32/19/04/721321904.db2.gz TVXXNQZTPJUTJA-GKVSMKOHSA-N 1 1 449.624 4.115 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164878906 721325259 /nfs/dbraw/zinc/32/52/59/721325259.db2.gz QJBCHXKZZCVIBA-UHFFFAOYSA-N 1 1 430.286 4.116 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc(Cl)n3)C2)C1 ZINC001164777439 721333581 /nfs/dbraw/zinc/33/35/81/721333581.db2.gz NHQIZAWNZYFQFF-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc(Cl)n3)C2)C1 ZINC001164777439 721333584 /nfs/dbraw/zinc/33/35/84/721333584.db2.gz NHQIZAWNZYFQFF-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776991 721338569 /nfs/dbraw/zinc/33/85/69/721338569.db2.gz JKPGZPSRHQYRQK-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776748 721342042 /nfs/dbraw/zinc/34/20/42/721342042.db2.gz CMDRTQKGXLVTCD-OAQYLSRUSA-N 1 1 447.992 4.069 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778277 721347214 /nfs/dbraw/zinc/34/72/14/721347214.db2.gz LYHORCURXVIBOH-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778277 721347217 /nfs/dbraw/zinc/34/72/17/721347217.db2.gz LYHORCURXVIBOH-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777366 721352178 /nfs/dbraw/zinc/35/21/78/721352178.db2.gz GLSYZJWUTKHVIE-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164781929 721426669 /nfs/dbraw/zinc/42/66/69/721426669.db2.gz DVECGTCNSDVLCJ-ROUUACIJSA-N 1 1 448.621 4.395 20 0 IIADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786376 721473751 /nfs/dbraw/zinc/47/37/51/721473751.db2.gz AXTDZMNXWVKLFL-OAQYLSRUSA-N 1 1 436.040 4.200 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786376 721473755 /nfs/dbraw/zinc/47/37/55/721473755.db2.gz AXTDZMNXWVKLFL-OAQYLSRUSA-N 1 1 436.040 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@H+]3C2)c1 ZINC001164903834 721532441 /nfs/dbraw/zinc/53/24/41/721532441.db2.gz DGTIDJIBRGKHEY-ICSRJNTNSA-N 1 1 429.499 4.106 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800645 721533985 /nfs/dbraw/zinc/53/39/85/721533985.db2.gz CVEKKJIKFPGTGW-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800645 721533989 /nfs/dbraw/zinc/53/39/89/721533989.db2.gz CVEKKJIKFPGTGW-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164808938 721539935 /nfs/dbraw/zinc/53/99/35/721539935.db2.gz SNJNKXIAODVESJ-IMSXRSKXSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@H+]3C2)c1 ZINC001164907137 721541429 /nfs/dbraw/zinc/54/14/29/721541429.db2.gz MGHPCJDWMMWTOT-HKUYNNGSSA-N 1 1 448.876 4.309 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907553 721558984 /nfs/dbraw/zinc/55/89/84/721558984.db2.gz OJLRZHJKLHZGLK-NZQKXSOJSA-N 1 1 434.515 4.023 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164907011 721562565 /nfs/dbraw/zinc/56/25/65/721562565.db2.gz LUZVEFMXSMKNNI-ICSRJNTNSA-N 1 1 447.539 4.234 20 0 IIADMO FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906148 721582582 /nfs/dbraw/zinc/58/25/82/721582582.db2.gz ZDDKLSTWJIYUOK-GOSISDBHSA-N 1 1 428.861 4.413 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164803365 721583122 /nfs/dbraw/zinc/58/31/22/721583122.db2.gz HTBSDXFLNQBMNL-MZKRTTBSSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164803365 721583123 /nfs/dbraw/zinc/58/31/23/721583123.db2.gz HTBSDXFLNQBMNL-MZKRTTBSSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164800077 721588847 /nfs/dbraw/zinc/58/88/47/721588847.db2.gz BNZHWPOKHKHLSI-MIZPHKNDSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164803393 721591674 /nfs/dbraw/zinc/59/16/74/721591674.db2.gz HXXIGQXDVBLHLM-PWRODBHTSA-N 1 1 448.945 4.421 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164803393 721591675 /nfs/dbraw/zinc/59/16/75/721591675.db2.gz HXXIGQXDVBLHLM-PWRODBHTSA-N 1 1 448.945 4.421 20 0 IIADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907854 721698475 /nfs/dbraw/zinc/69/84/75/721698475.db2.gz VFQANNBRMCEYKC-GOSISDBHSA-N 1 1 443.876 4.116 20 0 IIADMO Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903555 721701907 /nfs/dbraw/zinc/70/19/07/721701907.db2.gz ABSLHCXUDVIXCA-HSZRJFAPSA-N 1 1 439.485 4.415 20 0 IIADMO FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911234 721732045 /nfs/dbraw/zinc/73/20/45/721732045.db2.gz JAUVTWQIRZFRPU-QHCPKHFHSA-N 1 1 437.494 4.402 20 0 IIADMO COc1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc(Cl)n1 ZINC001164909452 721747634 /nfs/dbraw/zinc/74/76/34/721747634.db2.gz UNWCDAXAAFKOBV-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO COc1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc(Cl)n1 ZINC001164909452 721747639 /nfs/dbraw/zinc/74/76/39/721747639.db2.gz UNWCDAXAAFKOBV-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164909523 721754390 /nfs/dbraw/zinc/75/43/90/721754390.db2.gz GTKJGUIZEJFVRH-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164909523 721754393 /nfs/dbraw/zinc/75/43/93/721754393.db2.gz GTKJGUIZEJFVRH-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO COc1ccc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164909003 721756361 /nfs/dbraw/zinc/75/63/61/721756361.db2.gz BTWZKTHVQZJRFB-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO COc1ccc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164909003 721756365 /nfs/dbraw/zinc/75/63/65/721756365.db2.gz BTWZKTHVQZJRFB-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)C2 ZINC001164910668 721759194 /nfs/dbraw/zinc/75/91/94/721759194.db2.gz PKXOWZYWWOCKCP-UHFFFAOYSA-N 1 1 430.556 4.438 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)C2 ZINC001164910668 721759198 /nfs/dbraw/zinc/75/91/98/721759198.db2.gz PKXOWZYWWOCKCP-UHFFFAOYSA-N 1 1 430.556 4.438 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164912195 721765480 /nfs/dbraw/zinc/76/54/80/721765480.db2.gz VDZOPSGEVGZSKH-UHFFFAOYSA-N 1 1 446.942 4.375 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164912195 721765485 /nfs/dbraw/zinc/76/54/85/721765485.db2.gz VDZOPSGEVGZSKH-UHFFFAOYSA-N 1 1 446.942 4.375 20 0 IIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027569 721807690 /nfs/dbraw/zinc/80/76/90/721807690.db2.gz WJQSMCRWWSTZIE-IHPCNDPISA-N 1 1 442.991 4.352 20 0 IIADMO COc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c(Cl)nc2c1 ZINC001165026407 721809277 /nfs/dbraw/zinc/80/92/77/721809277.db2.gz PUHAORKUFRTNSS-XWFZLUIHSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165022736 721812700 /nfs/dbraw/zinc/81/27/00/721812700.db2.gz GZNVABMZRVHLJK-AVCGJXAMSA-N 1 1 447.583 4.087 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025964 721814444 /nfs/dbraw/zinc/81/44/44/721814444.db2.gz ONNPJFKHQBDNDZ-AJSBUHFISA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025964 721814446 /nfs/dbraw/zinc/81/44/46/721814446.db2.gz ONNPJFKHQBDNDZ-AJSBUHFISA-N 1 1 432.568 4.384 20 0 IIADMO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165025559 721818458 /nfs/dbraw/zinc/81/84/58/721818458.db2.gz NQAUIQMYJRMOLX-QUURXOELSA-N 1 1 429.568 4.284 20 0 IIADMO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165025563 721818522 /nfs/dbraw/zinc/81/85/22/721818522.db2.gz NQAUIQMYJRMOLX-ZWSUVBHBSA-N 1 1 429.568 4.284 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026813 721819602 /nfs/dbraw/zinc/81/96/02/721819602.db2.gz RMIZSVHYPDFKDM-UHOSZYNNSA-N 1 1 439.995 4.193 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]21 ZINC001165025313 721820174 /nfs/dbraw/zinc/82/01/74/721820174.db2.gz MGLAVWMUJJLESZ-VNQPRFMTSA-N 1 1 439.963 4.096 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]21 ZINC001165018812 721820506 /nfs/dbraw/zinc/82/05/06/721820506.db2.gz ALPQDEDSBSMVTI-FTBPSBKWSA-N 1 1 425.580 4.374 20 0 IIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165025676 721823564 /nfs/dbraw/zinc/82/35/64/721823564.db2.gz NJRPPYPLWAJCGC-GRYUFTJMSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019941 721825414 /nfs/dbraw/zinc/82/54/14/721825414.db2.gz CNXYFBVDEIYCQX-KWOQKUFVSA-N 1 1 429.568 4.284 20 0 IIADMO COc1cc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c(OC)c1 ZINC001165027876 721830037 /nfs/dbraw/zinc/83/00/37/721830037.db2.gz UQFOSRGOPLTSOL-ANJVHQHFSA-N 1 1 432.568 4.384 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]21 ZINC001165026307 721830120 /nfs/dbraw/zinc/83/01/20/721830120.db2.gz OTFQGNWXDBCTER-CZTZKLFOSA-N 1 1 434.975 4.324 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]21 ZINC001165026314 721830145 /nfs/dbraw/zinc/83/01/45/721830145.db2.gz OTFQGNWXDBCTER-SYYKKAFVSA-N 1 1 434.975 4.324 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cccc(Cl)n2)CC1 ZINC001165020433 721837591 /nfs/dbraw/zinc/83/75/91/721837591.db2.gz IWXMASMVDWGIRD-UHFFFAOYSA-N 1 1 425.907 4.398 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927146 721856307 /nfs/dbraw/zinc/85/63/07/721856307.db2.gz JNZGMEMPSNQWST-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927146 721856308 /nfs/dbraw/zinc/85/63/08/721856308.db2.gz JNZGMEMPSNQWST-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO CCOC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1Cl ZINC001164938390 721922240 /nfs/dbraw/zinc/92/22/40/721922240.db2.gz NBJUTHMORIFHBY-UHFFFAOYSA-N 1 1 443.975 4.092 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc(C)c4C)CC3)C2)cc1 ZINC001164939192 721932799 /nfs/dbraw/zinc/93/27/99/721932799.db2.gz KHCYCILNDCPENZ-UHFFFAOYSA-N 1 1 443.595 4.335 20 0 IIADMO CSc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939788 721933158 /nfs/dbraw/zinc/93/31/58/721933158.db2.gz BDAHZLUQFKVLGL-UHFFFAOYSA-N 1 1 430.643 4.100 20 0 IIADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045540 721960936 /nfs/dbraw/zinc/96/09/36/721960936.db2.gz XILGBKLNMQUFFV-HSZRJFAPSA-N 1 1 442.922 4.126 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)c2c1C ZINC001165052049 721993626 /nfs/dbraw/zinc/99/36/26/721993626.db2.gz QDERHCPNELEJML-KRWDZBQOSA-N 1 1 430.618 4.462 20 0 IIADMO CCOc1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164955272 722023113 /nfs/dbraw/zinc/02/31/13/722023113.db2.gz CPCBOHJLQBRGGU-UHFFFAOYSA-N 1 1 429.568 4.430 20 0 IIADMO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164967384 722076418 /nfs/dbraw/zinc/07/64/18/722076418.db2.gz CVCOWYJYSWXNTD-KDURUIRLSA-N 1 1 437.893 4.385 20 0 IIADMO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164967384 722076419 /nfs/dbraw/zinc/07/64/19/722076419.db2.gz CVCOWYJYSWXNTD-KDURUIRLSA-N 1 1 437.893 4.385 20 0 IIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984740 722099278 /nfs/dbraw/zinc/09/92/78/722099278.db2.gz UHTQXVFDDFEHOJ-UTKZUKDTSA-N 1 1 426.923 4.150 20 0 IIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984706 722102823 /nfs/dbraw/zinc/10/28/23/722102823.db2.gz UCKWAKQNWWQVLY-CRAIPNDOSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976374 722116315 /nfs/dbraw/zinc/11/63/15/722116315.db2.gz LMCAVLOAYCXJFY-OXQOHEQNSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001164971859 722121652 /nfs/dbraw/zinc/12/16/52/722121652.db2.gz CUWIOTYJZTYVGS-GOEBONIOSA-N 1 1 427.763 4.164 20 0 IIADMO Clc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983307 722132139 /nfs/dbraw/zinc/13/21/39/722132139.db2.gz TXBGJIIHRRJLDA-HRAATJIYSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1Cl ZINC001164983309 722132327 /nfs/dbraw/zinc/13/23/27/722132327.db2.gz TXBGJIIHRRJLDA-IIBYNOLFSA-N 1 1 444.366 4.059 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976087 722144885 /nfs/dbraw/zinc/14/48/85/722144885.db2.gz HAXNIRSPULDYLY-FCHUYYIVSA-N 1 1 449.986 4.228 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972230 722153369 /nfs/dbraw/zinc/15/33/69/722153369.db2.gz HKYFBYDGARBSAI-FFZOFVMBSA-N 1 1 429.996 4.074 20 0 IIADMO COC(=O)c1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997833 722210853 /nfs/dbraw/zinc/21/08/53/722210853.db2.gz SITMCENSTGDOHZ-AREMUKBSSA-N 1 1 449.526 4.414 20 0 IIADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534678 1126240524 /nfs/dbraw/zinc/24/05/24/1126240524.db2.gz SLRWVKZWPKKVSL-RHSMWYFYSA-N 1 1 429.236 4.214 20 0 IIADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534677 1126240660 /nfs/dbraw/zinc/24/06/60/1126240660.db2.gz SLRWVKZWPKKVSL-PBHICJAKSA-N 1 1 429.236 4.214 20 0 IIADMO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446909289 370693738 /nfs/dbraw/zinc/69/37/38/370693738.db2.gz XFLOLSRTGNJJGR-UHFFFAOYSA-N 1 1 425.168 4.357 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@]5(CCOC5)C4)c23)C1 ZINC001164392118 718807967 /nfs/dbraw/zinc/80/79/67/718807967.db2.gz YDPAWZMDKACICC-OSPHWJPCSA-N 1 1 426.630 4.419 20 0 IIADMO O=C1CC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c2cc(F)ccc21 ZINC001164425270 718937480 /nfs/dbraw/zinc/93/74/80/718937480.db2.gz VNVLNHYAEDVNHT-UHFFFAOYSA-N 1 1 442.538 4.299 20 0 IIADMO O=C1CC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c2cc(F)ccc21 ZINC001164425270 718937483 /nfs/dbraw/zinc/93/74/83/718937483.db2.gz VNVLNHYAEDVNHT-UHFFFAOYSA-N 1 1 442.538 4.299 20 0 IIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621036 719078486 /nfs/dbraw/zinc/07/84/86/719078486.db2.gz GLKICGUHCQUPCT-WIYYLYMNSA-N 1 1 436.943 4.171 20 0 IIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624931 719085178 /nfs/dbraw/zinc/08/51/78/719085178.db2.gz MAFZNTIUGURWFF-GGAORHGYSA-N 1 1 442.542 4.115 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164647564 719310031 /nfs/dbraw/zinc/31/00/31/719310031.db2.gz CZYNGJVUQQABKW-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3nc1N1CCCC[C@H]1C)CC2 ZINC001164652936 719315113 /nfs/dbraw/zinc/31/51/13/719315113.db2.gz URYLSPVYAXOWIP-LJQANCHMSA-N 1 1 447.631 4.410 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4cc(Cl)ncc42)CC3)cc1 ZINC001164672308 719501583 /nfs/dbraw/zinc/50/15/83/719501583.db2.gz JLLHHGHRESRKBB-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4cc(Cl)ncc42)CC3)cc1 ZINC001164672308 719501588 /nfs/dbraw/zinc/50/15/88/719501588.db2.gz JLLHHGHRESRKBB-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CC2 ZINC001164689814 719738819 /nfs/dbraw/zinc/73/88/19/719738819.db2.gz KCOOBDPZKSANQB-UHFFFAOYSA-N 1 1 449.986 4.131 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cs1 ZINC001164694506 719810161 /nfs/dbraw/zinc/81/01/61/719810161.db2.gz ZECSACDUQCUGHI-UHFFFAOYSA-N 1 1 435.597 4.456 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164805914 720089512 /nfs/dbraw/zinc/08/95/12/720089512.db2.gz APZNGFKXVAVDEL-IFXJQAMLSA-N 1 1 442.963 4.074 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164717423 720125119 /nfs/dbraw/zinc/12/51/19/720125119.db2.gz OTSOADYENRFGHB-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164714912 720126406 /nfs/dbraw/zinc/12/64/06/720126406.db2.gz FDXGROYIUTZFQZ-SFHVURJKSA-N 1 1 433.021 4.359 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812970 720156829 /nfs/dbraw/zinc/15/68/29/720156829.db2.gz BCBPBYZMIQOTFY-KCWPFWIISA-N 1 1 449.595 4.028 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811483 720198305 /nfs/dbraw/zinc/19/83/05/720198305.db2.gz IKTAFYUZCJDZSD-HXOBKFHXSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814146 720202217 /nfs/dbraw/zinc/20/22/17/720202217.db2.gz SYQIJZLRJDDRKV-ICSRJNTNSA-N 1 1 425.951 4.040 20 0 IIADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164729540 720479511 /nfs/dbraw/zinc/47/95/11/720479511.db2.gz RNQFBVZYBQCOCV-PMACEKPBSA-N 1 1 437.931 4.179 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836089 720516320 /nfs/dbraw/zinc/51/63/20/720516320.db2.gz MHABQVMOFRYWBP-UNWVZKJWSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164834380 720526343 /nfs/dbraw/zinc/52/63/43/720526343.db2.gz FTNMDXVAQHPOLA-LZLYRXPVSA-N 1 1 431.009 4.227 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834561 720533671 /nfs/dbraw/zinc/53/36/71/720533671.db2.gz DUSSLJNEDMRFPO-QEEYODRMSA-N 1 1 446.933 4.136 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001164734415 720541587 /nfs/dbraw/zinc/54/15/87/720541587.db2.gz IDISEARXPGTJQR-ZEVJAHDQSA-N 1 1 436.600 4.478 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838480 720545175 /nfs/dbraw/zinc/54/51/75/720545175.db2.gz OAQZBJUYPKVHFG-JTDSTZFVSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164840095 720580503 /nfs/dbraw/zinc/58/05/03/720580503.db2.gz OZXRVBWXSAJPFP-HJOGWXRNSA-N 1 1 431.584 4.235 20 0 IIADMO 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 720588123 /nfs/dbraw/zinc/58/81/23/720588123.db2.gz QOQICCMDPNRFAS-ACRUOGEOSA-N 1 1 449.603 4.003 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837159 720605751 /nfs/dbraw/zinc/60/57/51/720605751.db2.gz HIJTUKQXIQVSNZ-IEIRFRATSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)nc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844131 720621803 /nfs/dbraw/zinc/62/18/03/720621803.db2.gz YXOWQIAIXHJZRF-QHAWAJNXSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838221 720635633 /nfs/dbraw/zinc/63/56/33/720635633.db2.gz KHDYQRDZZWXYGU-VAMGGRTRSA-N 1 1 431.028 4.211 20 0 IIADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838219 720635712 /nfs/dbraw/zinc/63/57/12/720635712.db2.gz KHDYQRDZZWXYGU-SLFFLAALSA-N 1 1 431.028 4.211 20 0 IIADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837780 720638413 /nfs/dbraw/zinc/63/84/13/720638413.db2.gz JJGRACVEXXMSGD-JXALWOEJSA-N 1 1 434.563 4.165 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]21 ZINC001164842723 720641546 /nfs/dbraw/zinc/64/15/46/720641546.db2.gz VHEXHCRGMJEPEC-FUDKSRODSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838252 720652637 /nfs/dbraw/zinc/65/26/37/720652637.db2.gz GTVHDABGUAEXJG-XGHQBKJUSA-N 1 1 449.977 4.343 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164844231 720657405 /nfs/dbraw/zinc/65/74/05/720657405.db2.gz YUTSXIYLBJTEIC-HXUWFJFHSA-N 1 1 443.975 4.172 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164840378 720659597 /nfs/dbraw/zinc/65/95/97/720659597.db2.gz LYEWSGAGUXHRDO-MRXNPFEDSA-N 1 1 429.927 4.010 20 0 IIADMO C=Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164841695 720710392 /nfs/dbraw/zinc/71/03/92/720710392.db2.gz VYLBGXIXHVSNKV-SFHVURJKSA-N 1 1 428.964 4.042 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164840334 720721578 /nfs/dbraw/zinc/72/15/78/720721578.db2.gz PMJOAMCNKVCTDP-HSZRJFAPSA-N 1 1 435.616 4.117 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001164842943 720747405 /nfs/dbraw/zinc/74/74/05/720747405.db2.gz GIGSALPUTVJUNS-UHFFFAOYSA-N 1 1 441.000 4.457 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001164746869 720830600 /nfs/dbraw/zinc/83/06/00/720830600.db2.gz ZIWLLXHXHDTNNO-OFQRWUPVSA-N 1 1 441.794 4.013 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001164746872 720830936 /nfs/dbraw/zinc/83/09/36/720830936.db2.gz ZIWLLXHXHDTNNO-SQWLQELKSA-N 1 1 441.794 4.013 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2cc(Cl)ccc12 ZINC001164740038 720837592 /nfs/dbraw/zinc/83/75/92/720837592.db2.gz BQUGPJAVBTZRCF-GREBRCKQSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742961 720841023 /nfs/dbraw/zinc/84/10/23/720841023.db2.gz HOWMMARTIWGPOS-NNMXDRDESA-N 1 1 436.991 4.168 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739437 720841887 /nfs/dbraw/zinc/84/18/87/720841887.db2.gz AFMLNXLFLWZZFY-TUNNFDKTSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164753018 720864362 /nfs/dbraw/zinc/86/43/62/720864362.db2.gz VELONVZYMOFSMJ-KRWDZBQOSA-N 1 1 429.615 4.247 20 0 IIADMO Fc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753367 720873246 /nfs/dbraw/zinc/87/32/46/720873246.db2.gz PENRHTGEVUHFQV-WMZHIEFXSA-N 1 1 430.955 4.024 20 0 IIADMO Cc1cccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754363 720892658 /nfs/dbraw/zinc/89/26/58/720892658.db2.gz IOMLDCVJKBGWNU-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO c1cc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2s1 ZINC001164751600 720895967 /nfs/dbraw/zinc/89/59/67/720895967.db2.gz COSIGAVQCGOTAQ-RDGATRHJSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746477 720909929 /nfs/dbraw/zinc/90/99/29/720909929.db2.gz AVDWYBHLNMDFSQ-BVAGGSTKSA-N 1 1 435.616 4.059 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878944 721159244 /nfs/dbraw/zinc/15/92/44/721159244.db2.gz RAGJHKMQJVXUGX-GOTSBHOMSA-N 1 1 432.593 4.249 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164770984 721163063 /nfs/dbraw/zinc/16/30/63/721163063.db2.gz RUDRKUJJFXDVDR-DHIUTWEWSA-N 1 1 438.579 4.297 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771834 721222833 /nfs/dbraw/zinc/22/28/33/721222833.db2.gz RCQJZEBAQPYNLR-PMACEKPBSA-N 1 1 436.991 4.106 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759444 721249835 /nfs/dbraw/zinc/24/98/35/721249835.db2.gz AJGPTADYBIQKNA-QZTJIDSGSA-N 1 1 449.977 4.241 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164769040 721276556 /nfs/dbraw/zinc/27/65/56/721276556.db2.gz NJASUAUICARDJP-PXDATVDWSA-N 1 1 446.599 4.326 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778719 721345363 /nfs/dbraw/zinc/34/53/63/721345363.db2.gz OFBZAVPXBZICCB-OAQYLSRUSA-N 1 1 447.992 4.069 20 0 IIADMO c1csc(-c2csc3ncnc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)c1 ZINC001164782833 721400931 /nfs/dbraw/zinc/40/09/31/721400931.db2.gz FWZLYLGTZYTBKE-OKILXGFUSA-N 1 1 425.608 4.445 20 0 IIADMO c1csc(-c2csc3ncnc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)c1 ZINC001164782833 721400932 /nfs/dbraw/zinc/40/09/32/721400932.db2.gz FWZLYLGTZYTBKE-OKILXGFUSA-N 1 1 425.608 4.445 20 0 IIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164789193 721401830 /nfs/dbraw/zinc/40/18/30/721401830.db2.gz UCHOHGSEBMNCNY-HOTGVXAUSA-N 1 1 447.942 4.367 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164784699 721426769 /nfs/dbraw/zinc/42/67/69/721426769.db2.gz LRBOXTSZACVZRI-NHCUHLMSSA-N 1 1 444.608 4.121 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164789685 721427913 /nfs/dbraw/zinc/42/79/13/721427913.db2.gz WCTQTRDVTLVJRJ-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164789685 721427915 /nfs/dbraw/zinc/42/79/15/721427915.db2.gz WCTQTRDVTLVJRJ-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784215 721436945 /nfs/dbraw/zinc/43/69/45/721436945.db2.gz KVIGBYPMQFSHAM-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784215 721436947 /nfs/dbraw/zinc/43/69/47/721436947.db2.gz KVIGBYPMQFSHAM-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897890 721446764 /nfs/dbraw/zinc/44/67/64/721446764.db2.gz VBTFDYUNFDFJAL-SBUREZEXSA-N 1 1 449.426 4.307 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897884 721446840 /nfs/dbraw/zinc/44/68/40/721446840.db2.gz VBTFDYUNFDFJAL-HXOBKFHXSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164786394 721456474 /nfs/dbraw/zinc/45/64/74/721456474.db2.gz MJGKBZPNFSJZII-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164788577 721460835 /nfs/dbraw/zinc/46/08/35/721460835.db2.gz UIQLLKGMDKJFLS-NRFANRHFSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc(F)c3n1)CC2 ZINC001164784424 721464090 /nfs/dbraw/zinc/46/40/90/721464090.db2.gz IAEDINOZXQLTKE-NRFANRHFSA-N 1 1 427.564 4.108 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1SC)CC2 ZINC001164783706 721465289 /nfs/dbraw/zinc/46/52/89/721465289.db2.gz FYHMMFPRIRDSFO-IBGZPJMESA-N 1 1 440.053 4.191 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164788036 721468800 /nfs/dbraw/zinc/46/88/00/721468800.db2.gz HRMSNYVQXFCZKU-QHCPKHFHSA-N 1 1 427.564 4.108 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164795268 721503404 /nfs/dbraw/zinc/50/34/04/721503404.db2.gz JBYKWOWAJGUKKI-UHFFFAOYSA-N 1 1 430.556 4.285 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164796522 721525135 /nfs/dbraw/zinc/52/51/35/721525135.db2.gz ZKIMPZFUSZKBEW-SJBKTWHCSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808936 721541338 /nfs/dbraw/zinc/54/13/38/721541338.db2.gz SMPISOXJTQOLAA-XKCSPQBFSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808930 721541705 /nfs/dbraw/zinc/54/17/05/721541705.db2.gz SMPISOXJTQOLAA-KJXAQDMKSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164800668 721541933 /nfs/dbraw/zinc/54/19/33/721541933.db2.gz DCKKEDVAXWNXAQ-KCZVDYSFSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]2CCCO[C@H]12 ZINC001164804668 721555057 /nfs/dbraw/zinc/55/50/57/721555057.db2.gz LTDOLDWBQDZBQL-GGPKGHCWSA-N 1 1 447.917 4.024 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]2CCCO[C@H]12 ZINC001164804668 721555060 /nfs/dbraw/zinc/55/50/60/721555060.db2.gz LTDOLDWBQDZBQL-GGPKGHCWSA-N 1 1 447.917 4.024 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164907554 721558970 /nfs/dbraw/zinc/55/89/70/721558970.db2.gz OJLRZHJKLHZGLK-OFNKIYASSA-N 1 1 434.515 4.023 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804657 721565874 /nfs/dbraw/zinc/56/58/74/721565874.db2.gz LHVPAGSBVZLPFK-FDFHNCONSA-N 1 1 437.975 4.163 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804657 721565875 /nfs/dbraw/zinc/56/58/75/721565875.db2.gz LHVPAGSBVZLPFK-FDFHNCONSA-N 1 1 437.975 4.163 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@@H]12 ZINC001164810880 721591561 /nfs/dbraw/zinc/59/15/61/721591561.db2.gz WONNLJWQLPCTLS-NNMXDRDESA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@@H]12 ZINC001164810880 721591563 /nfs/dbraw/zinc/59/15/63/721591563.db2.gz WONNLJWQLPCTLS-NNMXDRDESA-N 1 1 426.923 4.291 20 0 IIADMO FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905445 721700741 /nfs/dbraw/zinc/70/07/41/721700741.db2.gz JICYZCWXIVJGPQ-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904928 721703664 /nfs/dbraw/zinc/70/36/64/721703664.db2.gz FRIGONRBYXHNNZ-QHCPKHFHSA-N 1 1 444.526 4.170 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165009485 721726441 /nfs/dbraw/zinc/72/64/41/721726441.db2.gz XGKSUVMFSMAZMM-XMMPIXPASA-N 1 1 441.645 4.131 20 0 IIADMO FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910575 721735960 /nfs/dbraw/zinc/73/59/60/721735960.db2.gz GLTODQAKQVLDBZ-SFHVURJKSA-N 1 1 444.860 4.292 20 0 IIADMO COc1ccc2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910633 721743498 /nfs/dbraw/zinc/74/34/98/721743498.db2.gz HDTRMVWVUQDGOU-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1ccc2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910633 721743503 /nfs/dbraw/zinc/74/35/03/721743503.db2.gz HDTRMVWVUQDGOU-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc(C)c2c1 ZINC001164908972 721756195 /nfs/dbraw/zinc/75/61/95/721756195.db2.gz ARHDIFIDXBELBS-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc(C)c2c1 ZINC001164908972 721756197 /nfs/dbraw/zinc/75/61/97/721756197.db2.gz ARHDIFIDXBELBS-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO Cc1nc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(Cl)c1C ZINC001164910799 721757022 /nfs/dbraw/zinc/75/70/22/721757022.db2.gz RVROHVSOEYWLOP-UHFFFAOYSA-N 1 1 447.917 4.474 20 0 IIADMO Cc1nc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(Cl)c1C ZINC001164910799 721757027 /nfs/dbraw/zinc/75/70/27/721757027.db2.gz RVROHVSOEYWLOP-UHFFFAOYSA-N 1 1 447.917 4.474 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]21 ZINC001165027271 721799653 /nfs/dbraw/zinc/79/96/53/721799653.db2.gz VCUZNPFFBSPSOS-YSVLISHTSA-N 1 1 431.371 4.397 20 0 IIADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1Cl ZINC001165022112 721802354 /nfs/dbraw/zinc/80/23/54/721802354.db2.gz HZNZMZWJZPHPBY-LRQRDZAKSA-N 1 1 428.964 4.044 20 0 IIADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027409 721809320 /nfs/dbraw/zinc/80/93/20/721809320.db2.gz URLUUYFVJVKLSH-NKKJXINNSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]21 ZINC001165020688 721813150 /nfs/dbraw/zinc/81/31/50/721813150.db2.gz CLWBFOWWBOVMDU-NQHRYMMQSA-N 1 1 441.579 4.466 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@H]21 ZINC001165027662 721816235 /nfs/dbraw/zinc/81/62/35/721816235.db2.gz VMHQOKFCKXTULV-FTBPSBKWSA-N 1 1 429.568 4.188 20 0 IIADMO COc1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165026401 721816717 /nfs/dbraw/zinc/81/67/17/721816717.db2.gz PTLCXHVNOMOJTJ-RRPUWOKSSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165023518 721819047 /nfs/dbraw/zinc/81/90/47/721819047.db2.gz HNBAIGILJKNLKY-IEXUWNMDSA-N 1 1 445.567 4.409 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]21 ZINC001165018819 721820302 /nfs/dbraw/zinc/82/03/02/721820302.db2.gz ALPQDEDSBSMVTI-IEZKXTBUSA-N 1 1 425.580 4.374 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001165025311 721820534 /nfs/dbraw/zinc/82/05/34/721820534.db2.gz MGLAVWMUJJLESZ-NUEKZKHPSA-N 1 1 439.963 4.096 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2)C1 ZINC001165027040 721823612 /nfs/dbraw/zinc/82/36/12/721823612.db2.gz RFBUPNQLBANWMX-HECCSYQRSA-N 1 1 447.627 4.086 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165029746 721825353 /nfs/dbraw/zinc/82/53/53/721825353.db2.gz XPOCCTGRYPRVLN-APTRMMRNSA-N 1 1 430.552 4.153 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933020 721885766 /nfs/dbraw/zinc/88/57/66/721885766.db2.gz KVGKIPUPECEKDS-LOSJGSFVSA-N 1 1 429.568 4.151 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933020 721885767 /nfs/dbraw/zinc/88/57/67/721885767.db2.gz KVGKIPUPECEKDS-LOSJGSFVSA-N 1 1 429.568 4.151 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)CC3)C2)cc1 ZINC001164939342 721924333 /nfs/dbraw/zinc/92/43/33/721924333.db2.gz JHBXDZWUIQNPHH-UHFFFAOYSA-N 1 1 449.986 4.372 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164940533 721926084 /nfs/dbraw/zinc/92/60/84/721926084.db2.gz SSNIZWDBLOLQOE-UHFFFAOYSA-N 1 1 437.584 4.217 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939673 721931100 /nfs/dbraw/zinc/93/11/00/721931100.db2.gz NZCDZHXLKWCUPZ-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO COc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c(C)nc2c1 ZINC001164938613 721931852 /nfs/dbraw/zinc/93/18/52/721931852.db2.gz ASFRLWVFQGVUDZ-UHFFFAOYSA-N 1 1 432.568 4.127 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5c(nc4Cl)CCCC5)CC3)C2)cc1 ZINC001164939710 721933569 /nfs/dbraw/zinc/93/35/69/721933569.db2.gz AGHNSDRKVKQGDN-UHFFFAOYSA-N 1 1 426.992 4.189 20 0 IIADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953675 722013306 /nfs/dbraw/zinc/01/33/06/722013306.db2.gz FYCHVRIPTFSAOJ-UHFFFAOYSA-N 1 1 439.963 4.284 20 0 IIADMO Clc1ccc(CN2CCCC2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955884 722018593 /nfs/dbraw/zinc/01/85/93/722018593.db2.gz QYRAISDMDQJGGA-UHFFFAOYSA-N 1 1 426.008 4.218 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164956206 722020657 /nfs/dbraw/zinc/02/06/57/722020657.db2.gz YBJMGKRALYXEIC-UHFFFAOYSA-N 1 1 428.584 4.097 20 0 IIADMO Cc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164962374 722056774 /nfs/dbraw/zinc/05/67/74/722056774.db2.gz DIMKUOILZGWYAA-UHFFFAOYSA-N 1 1 436.934 4.102 20 0 IIADMO Clc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164960003 722057939 /nfs/dbraw/zinc/05/79/39/722057939.db2.gz CJAYLRAYQHFBHQ-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO CCc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961579 722060940 /nfs/dbraw/zinc/06/09/40/722060940.db2.gz MBEAAAGIGKFZPR-UHFFFAOYSA-N 1 1 443.595 4.220 20 0 IIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985260 722101559 /nfs/dbraw/zinc/10/15/59/722101559.db2.gz VUCLJFFBPZJSFZ-YJBOKZPZSA-N 1 1 443.325 4.056 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982465 722128656 /nfs/dbraw/zinc/12/86/56/722128656.db2.gz WPOYLCBGSGVXNY-DENIHFKCSA-N 1 1 437.975 4.022 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995180 722205527 /nfs/dbraw/zinc/20/55/27/722205527.db2.gz LLOKRNOLCYVLTN-JOCHJYFZSA-N 1 1 428.943 4.445 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cs1)c1cccc(Cl)c1 ZINC001621255896 1126246322 /nfs/dbraw/zinc/24/63/22/1126246322.db2.gz WJVSSWKYUAEKCF-LJQANCHMSA-N 1 1 429.973 4.483 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1F ZINC001621463356 1126246563 /nfs/dbraw/zinc/24/65/63/1126246563.db2.gz WFOJQVDZFRFHJP-QFIPXVFZSA-N 1 1 449.498 4.328 20 0 IIADMO OCC[C@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164392372 718811655 /nfs/dbraw/zinc/81/16/55/718811655.db2.gz MCOHERZPQDQWMT-KRWDZBQOSA-N 1 1 426.630 4.155 20 0 IIADMO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164623978 719041510 /nfs/dbraw/zinc/04/15/10/719041510.db2.gz NNBYMCWBNXXDKB-UPCLLVRISA-N 1 1 440.613 4.088 20 0 IIADMO O=C(c1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCCC1 ZINC001164629076 719065358 /nfs/dbraw/zinc/06/53/58/719065358.db2.gz VJEJHWKAPLABLB-UNMCSNQZSA-N 1 1 439.003 4.462 20 0 IIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618470 719078080 /nfs/dbraw/zinc/07/80/80/719078080.db2.gz AQBOBJIXIOOIQD-IAGOWNOFSA-N 1 1 447.004 4.129 20 0 IIADMO CCOC(Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OCC ZINC001164619195 719079043 /nfs/dbraw/zinc/07/90/43/719079043.db2.gz CJOHUIMUFLNDCM-PZJWPPBQSA-N 1 1 445.007 4.172 20 0 IIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627233 719079122 /nfs/dbraw/zinc/07/91/22/719079122.db2.gz PYQLMVHOEAETIY-IRLDBZIGSA-N 1 1 447.583 4.079 20 0 IIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629635 719084214 /nfs/dbraw/zinc/08/42/14/719084214.db2.gz YIJIAFPYLMNHAZ-PZJWPPBQSA-N 1 1 426.992 4.318 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CC2 ZINC001164651972 719315552 /nfs/dbraw/zinc/31/55/52/719315552.db2.gz LDTLCRCNTDWTBG-UHFFFAOYSA-N 1 1 444.942 4.463 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164653587 719315668 /nfs/dbraw/zinc/31/56/68/719315668.db2.gz WXBLXPZDNJLMSV-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164652898 719315987 /nfs/dbraw/zinc/31/59/87/719315987.db2.gz SVXUQRBOFQHEHX-UHFFFAOYSA-N 1 1 428.943 4.338 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164654919 719317602 /nfs/dbraw/zinc/31/76/02/719317602.db2.gz SUZIGWYVNXBDEX-UHFFFAOYSA-N 1 1 434.318 4.215 20 0 IIADMO CCc1nc2sccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679275 719528260 /nfs/dbraw/zinc/52/82/60/719528260.db2.gz WVHYAFJJZLPLNZ-UHFFFAOYSA-N 1 1 426.561 4.264 20 0 IIADMO CCc1nc2sccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679275 719528275 /nfs/dbraw/zinc/52/82/75/719528275.db2.gz WVHYAFJJZLPLNZ-UHFFFAOYSA-N 1 1 426.561 4.264 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1C ZINC001164701934 719816300 /nfs/dbraw/zinc/81/63/00/719816300.db2.gz PWFUMIJJYSLAQO-UHFFFAOYSA-N 1 1 434.993 4.230 20 0 IIADMO Clc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164702234 719886009 /nfs/dbraw/zinc/88/60/09/719886009.db2.gz PIKZJHJNBZIJSB-UHFFFAOYSA-N 1 1 438.384 4.198 20 0 IIADMO Clc1nc2c(c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n1)CCCCC2 ZINC001164694877 719891448 /nfs/dbraw/zinc/89/14/48/719891448.db2.gz GLRKPUDJCSLOOI-UHFFFAOYSA-N 1 1 433.021 4.332 20 0 IIADMO Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694597 719892352 /nfs/dbraw/zinc/89/23/52/719892352.db2.gz AOMVZZYEELYSKZ-UHFFFAOYSA-N 1 1 431.911 4.352 20 0 IIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707485 719908959 /nfs/dbraw/zinc/90/89/59/719908959.db2.gz RFRINPDANRTNLS-QGZVFWFLSA-N 1 1 425.602 4.404 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164717496 720106784 /nfs/dbraw/zinc/10/67/84/720106784.db2.gz POOCPHBNWGGPBX-JOCHJYFZSA-N 1 1 445.567 4.171 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164719519 720114965 /nfs/dbraw/zinc/11/49/65/720114965.db2.gz XYTITXGQFOFALX-QHCPKHFHSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811590 720138419 /nfs/dbraw/zinc/13/84/19/720138419.db2.gz MRMSQJYUKKSEDQ-IERDGZPVSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164713524 720144791 /nfs/dbraw/zinc/14/47/91/720144791.db2.gz RGWCZTKLJDIHBX-QHCPKHFHSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817906 720152693 /nfs/dbraw/zinc/15/26/93/720152693.db2.gz QRQXLCIIUYJHAP-DVECYGJZSA-N 1 1 440.613 4.176 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816067 720163349 /nfs/dbraw/zinc/16/33/49/720163349.db2.gz KFNLAQDIPJSTAY-KOSHJBKYSA-N 1 1 426.630 4.063 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813389 720198019 /nfs/dbraw/zinc/19/80/19/720198019.db2.gz PDIFETDXSTXNET-DVECYGJZSA-N 1 1 442.991 4.415 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731016 720378762 /nfs/dbraw/zinc/37/87/62/720378762.db2.gz YAYYIGXZLAYJAM-QZTJIDSGSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731016 720378771 /nfs/dbraw/zinc/37/87/71/720378771.db2.gz YAYYIGXZLAYJAM-QZTJIDSGSA-N 1 1 433.865 4.215 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164727111 720437562 /nfs/dbraw/zinc/43/75/62/720437562.db2.gz DBEZNSIQAUOFAP-ZEQRLZLVSA-N 1 1 438.579 4.345 20 0 IIADMO CC(C)(C)N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734071 720544793 /nfs/dbraw/zinc/54/47/93/720544793.db2.gz HFZBORZJCIALDD-HSZRJFAPSA-N 1 1 434.628 4.156 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841069 720684063 /nfs/dbraw/zinc/68/40/63/720684063.db2.gz HMAAZTBFLJVCMK-HSZRJFAPSA-N 1 1 445.563 4.281 20 0 IIADMO COc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(C)c2c1 ZINC001164842648 720697681 /nfs/dbraw/zinc/69/76/81/720697681.db2.gz MBAIVLISXSRPNR-OAQYLSRUSA-N 1 1 432.568 4.207 20 0 IIADMO CCCN(CCC)c1cncc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838307 720702751 /nfs/dbraw/zinc/70/27/51/720702751.db2.gz HYQIMXMTFIDXSM-QHCPKHFHSA-N 1 1 437.632 4.363 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164838214 720705043 /nfs/dbraw/zinc/70/50/43/720705043.db2.gz HPMYAJNBTWRMGL-XMMPIXPASA-N 1 1 444.579 4.316 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164838394 720711474 /nfs/dbraw/zinc/71/14/74/720711474.db2.gz IXOYIGOJMYBUQR-QHCPKHFHSA-N 1 1 444.579 4.412 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164840961 720726303 /nfs/dbraw/zinc/72/63/03/720726303.db2.gz TVSWSZLQYFZSIC-HSZRJFAPSA-N 1 1 436.600 4.306 20 0 IIADMO O=C1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844790 720762340 /nfs/dbraw/zinc/76/23/40/720762340.db2.gz CZAFQADCCDOMMB-CLJLJLNGSA-N 1 1 438.575 4.414 20 0 IIADMO O=C1CC[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844800 720762892 /nfs/dbraw/zinc/76/28/92/720762892.db2.gz CZAFQADCCDOMMB-IZZNHLLZSA-N 1 1 438.575 4.414 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746963 720822053 /nfs/dbraw/zinc/82/20/53/720822053.db2.gz ZRVXTIFFJCJSAE-NNMXDRDESA-N 1 1 436.991 4.168 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@@H]2c2csc(C)n2)n1 ZINC001164750273 720864624 /nfs/dbraw/zinc/86/46/24/720864624.db2.gz PENHIAPYUFAIDG-QGZVFWFLSA-N 1 1 431.631 4.493 20 0 IIADMO c1ccc2c(c1)ccnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751499 720875035 /nfs/dbraw/zinc/87/50/35/720875035.db2.gz KLBWTGGJTNNZAM-SHQCIBLASA-N 1 1 428.580 4.385 20 0 IIADMO Cc1cccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164756833 720885681 /nfs/dbraw/zinc/88/56/81/720885681.db2.gz RHWUEKCQOJPVII-WNCULLNHSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755106 720918713 /nfs/dbraw/zinc/91/87/13/720918713.db2.gz YKEYEUQDBRMFNS-HOFKKMOUSA-N 1 1 449.643 4.233 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@H]2C ZINC001164860716 720970443 /nfs/dbraw/zinc/97/04/43/720970443.db2.gz PPWKNIFQSUKODQ-SFHVURJKSA-N 1 1 447.562 4.237 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@H]2C ZINC001164859661 721001954 /nfs/dbraw/zinc/00/19/54/721001954.db2.gz KYACPZIVWUTOCT-SFHVURJKSA-N 1 1 427.556 4.310 20 0 IIADMO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cs1 ZINC001164877032 721149427 /nfs/dbraw/zinc/14/94/27/721149427.db2.gz OARNFTGJGGXRFV-SFTDATJTSA-N 1 1 443.576 4.233 20 0 IIADMO COc1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)c1 ZINC001164775183 721303331 /nfs/dbraw/zinc/30/33/31/721303331.db2.gz RPYTWFPVVMKYTK-UHFFFAOYSA-N 1 1 434.918 4.273 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164878392 721326057 /nfs/dbraw/zinc/32/60/57/721326057.db2.gz NRWJOHRBLSUHHN-UHFFFAOYSA-N 1 1 430.286 4.116 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778219 721345174 /nfs/dbraw/zinc/34/51/74/721345174.db2.gz LHNRVVARULEFSM-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778219 721345177 /nfs/dbraw/zinc/34/51/77/721345177.db2.gz LHNRVVARULEFSM-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164782080 721436242 /nfs/dbraw/zinc/43/62/42/721436242.db2.gz FPWXJDHOLQFNFJ-HOTGVXAUSA-N 1 1 427.961 4.255 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164789367 721459180 /nfs/dbraw/zinc/45/91/80/721459180.db2.gz XJIOQYPYKLLUAI-QGZVFWFLSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164785855 721460550 /nfs/dbraw/zinc/46/05/50/721460550.db2.gz OEPJIEPHOHQSDP-QFIPXVFZSA-N 1 1 427.564 4.108 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164782812 721461992 /nfs/dbraw/zinc/46/19/92/721461992.db2.gz CQWCSCMZTACQDV-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164889722 721470182 /nfs/dbraw/zinc/47/01/82/721470182.db2.gz IDZUFTZIMCQUCS-ZJSXRUAMSA-N 1 1 446.599 4.073 20 0 IIADMO CCOC[C@H]1CN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164790290 721477462 /nfs/dbraw/zinc/47/74/62/721477462.db2.gz DHMXBAVDHGMEBO-GOSISDBHSA-N 1 1 442.633 4.024 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164795596 721503964 /nfs/dbraw/zinc/50/39/64/721503964.db2.gz MJTZZFNJQRVDMF-UHFFFAOYSA-N 1 1 434.975 4.468 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895619 721505357 /nfs/dbraw/zinc/50/53/57/721505357.db2.gz DFWHUHQUVYUYKC-XZOQPEGZSA-N 1 1 433.600 4.056 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164900807 721518725 /nfs/dbraw/zinc/51/87/25/721518725.db2.gz UXVMQEMOBGIORU-FUHWJXTLSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808375 721530341 /nfs/dbraw/zinc/53/03/41/721530341.db2.gz RRRKXARQWDUUBA-YQVWRLOYSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808375 721530343 /nfs/dbraw/zinc/53/03/43/721530343.db2.gz RRRKXARQWDUUBA-YQVWRLOYSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@H]12 ZINC001164805056 721551418 /nfs/dbraw/zinc/55/14/18/721551418.db2.gz KQAYNAPWHKAVJV-OPYAIIAOSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@H]12 ZINC001164805056 721551422 /nfs/dbraw/zinc/55/14/22/721551422.db2.gz KQAYNAPWHKAVJV-OPYAIIAOSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164909172 721555084 /nfs/dbraw/zinc/55/50/84/721555084.db2.gz SHJXZPOTTVHNEB-RDJZCZTQSA-N 1 1 438.881 4.033 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805425 721557245 /nfs/dbraw/zinc/55/72/45/721557245.db2.gz NUSCRHWFIQIOBG-DAYGRLMNSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805425 721557247 /nfs/dbraw/zinc/55/72/47/721557247.db2.gz NUSCRHWFIQIOBG-DAYGRLMNSA-N 1 1 427.763 4.305 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164907015 721562459 /nfs/dbraw/zinc/56/24/59/721562459.db2.gz LUZVEFMXSMKNNI-UYAOXDASSA-N 1 1 447.539 4.234 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164805839 721567507 /nfs/dbraw/zinc/56/75/07/721567507.db2.gz PCGKNDJLVYRFKR-GIWBLDEGSA-N 1 1 438.959 4.160 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805433 721575987 /nfs/dbraw/zinc/57/59/87/721575987.db2.gz NVHNCCPKOUDWKR-MSYCTHLASA-N 1 1 449.624 4.006 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805433 721575993 /nfs/dbraw/zinc/57/59/93/721575993.db2.gz NVHNCCPKOUDWKR-MSYCTHLASA-N 1 1 449.624 4.006 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800191 721581777 /nfs/dbraw/zinc/58/17/77/721581777.db2.gz CKSSDZCCHJXQCV-FUPPJEDESA-N 1 1 449.986 4.369 20 0 IIADMO FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903416 721584124 /nfs/dbraw/zinc/58/41/24/721584124.db2.gz NEOXTPZPMWKXSK-GOSISDBHSA-N 1 1 428.861 4.413 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808326 721588086 /nfs/dbraw/zinc/58/80/86/721588086.db2.gz QOTNQMHMGURCHE-MVJPYGJCSA-N 1 1 429.996 4.215 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164806194 721591231 /nfs/dbraw/zinc/59/12/31/721591231.db2.gz MGGOQULJVQIKQB-QKNQBKEWSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164806194 721591234 /nfs/dbraw/zinc/59/12/34/721591234.db2.gz MGGOQULJVQIKQB-QKNQBKEWSA-N 1 1 448.945 4.118 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799993 721592215 /nfs/dbraw/zinc/59/22/15/721592215.db2.gz BBKZOMKWCABDPK-ZCVJKFOLSA-N 1 1 438.959 4.160 20 0 IIADMO FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905663 721698419 /nfs/dbraw/zinc/69/84/19/721698419.db2.gz KJNDAJPGCMWVLI-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CSc1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908932 721709207 /nfs/dbraw/zinc/70/92/07/721709207.db2.gz ZORQIYDRRVYPGX-QFIPXVFZSA-N 1 1 441.551 4.484 20 0 IIADMO Fc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909061 721726564 /nfs/dbraw/zinc/72/65/64/721726564.db2.gz ALCULUUBDWEEMW-HSZRJFAPSA-N 1 1 439.485 4.415 20 0 IIADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccco2)n1 ZINC001164910576 721728559 /nfs/dbraw/zinc/72/85/59/721728559.db2.gz GMGBVCFJROGOOV-JOCHJYFZSA-N 1 1 425.483 4.178 20 0 IIADMO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C)nc2c1 ZINC001164914000 721728562 /nfs/dbraw/zinc/72/85/62/721728562.db2.gz ZZBBEHWCKVDXFF-HSZRJFAPSA-N 1 1 439.510 4.080 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164912539 721764090 /nfs/dbraw/zinc/76/40/90/721764090.db2.gz ZAPIIMUCQQWNSL-UHFFFAOYSA-N 1 1 440.551 4.338 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164912539 721764094 /nfs/dbraw/zinc/76/40/94/721764094.db2.gz ZAPIIMUCQQWNSL-UHFFFAOYSA-N 1 1 440.551 4.338 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@H]21 ZINC001165025889 721802878 /nfs/dbraw/zinc/80/28/78/721802878.db2.gz PVDKZZKBZVFKHL-BUUDZMLXSA-N 1 1 447.627 4.276 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]21 ZINC001165023386 721804063 /nfs/dbraw/zinc/80/40/63/721804063.db2.gz JSKNBONLKNFBAS-VLCRHTCISA-N 1 1 434.975 4.324 20 0 IIADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027415 721809140 /nfs/dbraw/zinc/80/91/40/721809140.db2.gz URLUUYFVJVKLSH-ZTCOLXNVSA-N 1 1 430.552 4.153 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165025127 721811017 /nfs/dbraw/zinc/81/10/17/721811017.db2.gz LLGNILCOXZUBSE-VDZJLULYSA-N 1 1 436.934 4.420 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025862 721811557 /nfs/dbraw/zinc/81/15/57/721811557.db2.gz NZBWMGKAFSTSAS-VDGAXYAQSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@@H]21 ZINC001165025275 721819879 /nfs/dbraw/zinc/81/98/79/721819879.db2.gz MBVWMVRKGQMMOT-YFNKSVMNSA-N 1 1 429.568 4.188 20 0 IIADMO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027570 721824290 /nfs/dbraw/zinc/82/42/90/721824290.db2.gz SRKNOAOTXOGLLW-APTRMMRNSA-N 1 1 429.568 4.284 20 0 IIADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001165026344 721827879 /nfs/dbraw/zinc/82/78/79/721827879.db2.gz OWUIBOPKHREHTI-OEOAZWSVSA-N 1 1 430.552 4.153 20 0 IIADMO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026736 721828940 /nfs/dbraw/zinc/82/89/40/721828940.db2.gz PWXVUKALVNRXNL-HVCNVCAESA-N 1 1 443.595 4.496 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@H]21 ZINC001165024030 721831646 /nfs/dbraw/zinc/83/16/46/721831646.db2.gz JIQALNLZMBOLGU-SAWYMBPVSA-N 1 1 430.531 4.382 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927442 721864105 /nfs/dbraw/zinc/86/41/05/721864105.db2.gz VRDVCLZTFWRFBP-FGZHOGPDSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927442 721864109 /nfs/dbraw/zinc/86/41/09/721864109.db2.gz VRDVCLZTFWRFBP-FGZHOGPDSA-N 1 1 449.002 4.074 20 0 IIADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165039830 721909854 /nfs/dbraw/zinc/90/98/54/721909854.db2.gz VSWZGXWSYBYZES-NRFANRHFSA-N 1 1 435.959 4.160 20 0 IIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164940526 721924264 /nfs/dbraw/zinc/92/42/64/721924264.db2.gz SOBIENXZIVPUQI-UHFFFAOYSA-N 1 1 425.964 4.100 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939360 721925959 /nfs/dbraw/zinc/92/59/59/721925959.db2.gz JYYVSERBHRLXFL-UHFFFAOYSA-N 1 1 444.579 4.235 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2)cc1 ZINC001164938627 721929052 /nfs/dbraw/zinc/92/90/52/721929052.db2.gz BVFFOQWLIRDMAC-UHFFFAOYSA-N 1 1 444.579 4.235 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165043674 721939946 /nfs/dbraw/zinc/93/99/46/721939946.db2.gz AJAZYRBQLFWEFR-UHFFFAOYSA-N 1 1 440.281 4.212 20 0 IIADMO Clc1ncc(-c2ccccc2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964027 722056264 /nfs/dbraw/zinc/05/62/64/722056264.db2.gz QYOPJAJFLOQUNS-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983488 722102183 /nfs/dbraw/zinc/10/21/83/722102183.db2.gz QLYDYBQAFCQJEH-QAPCUYQASA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980740 722103366 /nfs/dbraw/zinc/10/33/66/722103366.db2.gz KEWKNWFMTJVSMT-DOTOQJQBSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979590 722150339 /nfs/dbraw/zinc/15/03/39/722150339.db2.gz LKSHWVQVKWUBKZ-OXJNMPFZSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cccc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976164 722152842 /nfs/dbraw/zinc/15/28/42/722152842.db2.gz UNBRWQRFWIXNHC-APWZRJJASA-N 1 1 444.366 4.059 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c2c1C ZINC001164983108 722162557 /nfs/dbraw/zinc/16/25/57/722162557.db2.gz XYFBPBSUTROBER-RUZDIDTESA-N 1 1 447.608 4.028 20 0 IIADMO O=C(NCc1ccccc1)c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994867 722193793 /nfs/dbraw/zinc/19/37/93/722193793.db2.gz QKKUOBLGFOAALT-MHZLTWQESA-N 1 1 444.554 4.396 20 0 IIADMO CCOC(=O)c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995474 722199275 /nfs/dbraw/zinc/19/92/75/722199275.db2.gz VCIRFIJRTQEFCX-XMMPIXPASA-N 1 1 427.520 4.041 20 0 IIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994934 722205820 /nfs/dbraw/zinc/20/58/20/722205820.db2.gz JVBVSEAEFXNNEN-SFHVURJKSA-N 1 1 428.911 4.348 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994934 722205821 /nfs/dbraw/zinc/20/58/21/722205821.db2.gz JVBVSEAEFXNNEN-SFHVURJKSA-N 1 1 428.911 4.348 20 0 IIADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001460693262 1126191693 /nfs/dbraw/zinc/19/16/93/1126191693.db2.gz DLNDHRYGUTXHHX-QFIPXVFZSA-N 1 1 432.973 4.467 20 0 IIADMO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2I)CC1 ZINC000013473846 562988506 /nfs/dbraw/zinc/98/85/06/562988506.db2.gz VICKVZKXQKXAPK-LJQANCHMSA-N 1 1 425.285 4.376 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5COC[C@H]5C4)c23)C1 ZINC001164387822 718819320 /nfs/dbraw/zinc/81/93/20/718819320.db2.gz IXISRKAUFWOCJA-FGTMMUONSA-N 1 1 426.630 4.275 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5[C@@H](C4)OCC5(F)F)c32)C1 ZINC001164423037 718929795 /nfs/dbraw/zinc/92/97/95/718929795.db2.gz DBMOEYOMKKMUDU-DJIMGWMZSA-N 1 1 448.583 4.272 20 0 IIADMO CCOC(Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OCC ZINC001164619197 719078564 /nfs/dbraw/zinc/07/85/64/719078564.db2.gz CJOHUIMUFLNDCM-TZIWHRDSSA-N 1 1 445.007 4.172 20 0 IIADMO CC(C)n1nc(CN(C)C)c2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164648767 719309538 /nfs/dbraw/zinc/30/95/38/719309538.db2.gz REDODDUNEIAWRP-UHFFFAOYSA-N 1 1 444.627 4.042 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164652036 719316806 /nfs/dbraw/zinc/31/68/06/719316806.db2.gz MATZOOZPKICYTO-UHFFFAOYSA-N 1 1 433.585 4.155 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)cs1 ZINC001164692172 719816043 /nfs/dbraw/zinc/81/60/43/719816043.db2.gz MQXOERYOBJEIOE-UHFFFAOYSA-N 1 1 445.596 4.215 20 0 IIADMO COc1cc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(Cl)n1 ZINC001164697281 719817062 /nfs/dbraw/zinc/81/70/62/719817062.db2.gz BCKXPXUTJUAFMH-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO COc1cc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(Cl)n1 ZINC001164697281 719817065 /nfs/dbraw/zinc/81/70/65/719817065.db2.gz BCKXPXUTJUAFMH-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO Clc1cc(-c2ccncc2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164695712 719888090 /nfs/dbraw/zinc/88/80/90/719888090.db2.gz SBGBSMGHXXTNKH-UHFFFAOYSA-N 1 1 441.988 4.125 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164712111 720095204 /nfs/dbraw/zinc/09/52/04/720095204.db2.gz VOMAZAXPSSWGGT-GOSISDBHSA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164716197 720114384 /nfs/dbraw/zinc/11/43/84/720114384.db2.gz JKNUJIIDOQJVNF-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO CCOc1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719536 720115060 /nfs/dbraw/zinc/11/50/60/720115060.db2.gz YRDKNZYQCJIBQQ-LJQANCHMSA-N 1 1 430.980 4.036 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164713595 720134171 /nfs/dbraw/zinc/13/41/71/720134171.db2.gz SLESWFORRXFEFS-IBGZPJMESA-N 1 1 444.023 4.330 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164711747 720134674 /nfs/dbraw/zinc/13/46/74/720134674.db2.gz JLAYFBWBAZHALG-HXUWFJFHSA-N 1 1 448.615 4.158 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164710384 720144354 /nfs/dbraw/zinc/14/43/54/720144354.db2.gz ANKQWYINMNZQOY-HSZRJFAPSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164710385 720145138 /nfs/dbraw/zinc/14/51/38/720145138.db2.gz ANKQWYINMNZQOY-QHCPKHFHSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164713613 720149012 /nfs/dbraw/zinc/14/90/12/720149012.db2.gz SVVNOBQIDMZDPC-HSZRJFAPSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001164816847 720171361 /nfs/dbraw/zinc/17/13/61/720171361.db2.gz NEBNKFQVERWRDY-UZUQRXQVSA-N 1 1 446.954 4.246 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ccc3ccc(Cl)nc31)CCC2 ZINC001164818012 720244013 /nfs/dbraw/zinc/24/40/13/720244013.db2.gz WHRCSZOEDRJLSL-UHFFFAOYSA-N 1 1 446.382 4.349 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164730517 720355166 /nfs/dbraw/zinc/35/51/66/720355166.db2.gz ZZXQSGRTTCLFTA-DLBZAZTESA-N 1 1 433.865 4.215 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164730517 720355172 /nfs/dbraw/zinc/35/51/72/720355172.db2.gz ZZXQSGRTTCLFTA-DLBZAZTESA-N 1 1 433.865 4.215 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730908 720434616 /nfs/dbraw/zinc/43/46/16/720434616.db2.gz JPGBEAHJFGRIRD-UXHICEINSA-N 1 1 436.943 4.313 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732072 720488010 /nfs/dbraw/zinc/48/80/10/720488010.db2.gz YNSQESWRAKJTTP-DLBZAZTESA-N 1 1 433.387 4.022 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732072 720488022 /nfs/dbraw/zinc/48/80/22/720488022.db2.gz YNSQESWRAKJTTP-DLBZAZTESA-N 1 1 433.387 4.022 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc1 ZINC001164734413 720541982 /nfs/dbraw/zinc/54/19/82/720541982.db2.gz IDISEARXPGTJQR-PPJWLVRDSA-N 1 1 436.600 4.478 20 0 IIADMO 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 720587696 /nfs/dbraw/zinc/58/76/96/720587696.db2.gz QOQICCMDPNRFAS-HKBOAZHASA-N 1 1 449.603 4.003 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]21 ZINC001164837163 720604362 /nfs/dbraw/zinc/60/43/62/720604362.db2.gz HIJTUKQXIQVSNZ-RRPUWOKSSA-N 1 1 436.991 4.371 20 0 IIADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164835936 720621285 /nfs/dbraw/zinc/62/12/85/720621285.db2.gz CWNWXKOUFUMRRD-JBRSBNLGSA-N 1 1 430.600 4.280 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]21 ZINC001164839510 720621491 /nfs/dbraw/zinc/62/14/91/720621491.db2.gz NVYFTKPSTKUMRV-NHTMILBNSA-N 1 1 449.574 4.374 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164839220 720622474 /nfs/dbraw/zinc/62/24/74/720622474.db2.gz MJSRFKYMCDXAKP-TZBSWOFLSA-N 1 1 446.599 4.117 20 0 IIADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838223 720636500 /nfs/dbraw/zinc/63/65/00/720636500.db2.gz KHDYQRDZZWXYGU-XUVXKRRUSA-N 1 1 431.028 4.211 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]21 ZINC001164842727 720640755 /nfs/dbraw/zinc/64/07/55/720640755.db2.gz VHEXHCRGMJEPEC-GIWBLDEGSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841078 720648178 /nfs/dbraw/zinc/64/81/78/720648178.db2.gz PDJCALFVBGSOHN-YSIASYRMSA-N 1 1 449.977 4.429 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843805 720701961 /nfs/dbraw/zinc/70/19/61/720701961.db2.gz QZBHMIMMKLSIAZ-JOCHJYFZSA-N 1 1 445.563 4.281 20 0 IIADMO CCCN(CCC)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836997 720703624 /nfs/dbraw/zinc/70/36/24/720703624.db2.gz COGYDWJTNFRIFR-QHCPKHFHSA-N 1 1 437.632 4.363 20 0 IIADMO COC[C@@]12CCC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164844631 720792751 /nfs/dbraw/zinc/79/27/51/720792751.db2.gz CKEDMQIOWGKETQ-XDHUDOTRSA-N 1 1 426.630 4.419 20 0 IIADMO COC[C@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164851028 720827636 /nfs/dbraw/zinc/82/76/36/720827636.db2.gz WEWDSJSJDYJATE-NTKDMRAZSA-N 1 1 444.645 4.316 20 0 IIADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755786 720874515 /nfs/dbraw/zinc/87/45/15/720874515.db2.gz YXJOMTMRKHSAMX-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)CC[C@H]2C1 ZINC001164865281 720874670 /nfs/dbraw/zinc/87/46/70/720874670.db2.gz ZOGSAWJQRIRYNF-WIOPSUGQSA-N 1 1 446.595 4.087 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758880 720894044 /nfs/dbraw/zinc/89/40/44/720894044.db2.gz ZYYGFWJGRABSQZ-BVAGGSTKSA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758880 720894046 /nfs/dbraw/zinc/89/40/46/720894046.db2.gz ZYYGFWJGRABSQZ-BVAGGSTKSA-N 1 1 436.600 4.019 20 0 IIADMO Cc1cc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164746528 720917960 /nfs/dbraw/zinc/91/79/60/720917960.db2.gz BKGCAIGYRZFQHI-BKMJKUGQSA-N 1 1 432.568 4.286 20 0 IIADMO CSCc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750129 720929239 /nfs/dbraw/zinc/92/92/39/720929239.db2.gz JGDQUCQOGAKVFZ-UKILVPOCSA-N 1 1 438.641 4.095 20 0 IIADMO CCSc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164746536 720930678 /nfs/dbraw/zinc/93/06/78/720930678.db2.gz BLHKVOLJPHPBBN-DHLKQENFSA-N 1 1 438.641 4.344 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@H]2C ZINC001164857030 720953302 /nfs/dbraw/zinc/95/33/02/720953302.db2.gz FRHUSBAOAKKHIG-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@H]2C ZINC001164861777 721014999 /nfs/dbraw/zinc/01/49/99/721014999.db2.gz PIGCNLPYKRLOIJ-INIZCTEOSA-N 1 1 433.585 4.371 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@H]3C2)cn1 ZINC001164762951 721097939 /nfs/dbraw/zinc/09/79/39/721097939.db2.gz FPFAQDDWHCMJQT-IAGOWNOFSA-N 1 1 436.610 4.112 20 0 IIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867415 721105376 /nfs/dbraw/zinc/10/53/76/721105376.db2.gz YJRGNHQIXDXGND-MOPGFXCFSA-N 1 1 444.913 4.308 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771837 721223214 /nfs/dbraw/zinc/22/32/14/721223214.db2.gz RCQJZEBAQPYNLR-WOJBJXKFSA-N 1 1 436.991 4.106 20 0 IIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3CC2(C(=O)N2CCCC2)C3)n1 ZINC001164874931 721238438 /nfs/dbraw/zinc/23/84/38/721238438.db2.gz UZMKDPMZNFHMOO-UHFFFAOYSA-N 1 1 447.608 4.011 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777440 721345256 /nfs/dbraw/zinc/34/52/56/721345256.db2.gz HDMXFJYHLUICLL-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778717 721345417 /nfs/dbraw/zinc/34/54/17/721345417.db2.gz OFBZAVPXBZICCB-NRFANRHFSA-N 1 1 447.992 4.069 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779052 721347222 /nfs/dbraw/zinc/34/72/22/721347222.db2.gz PTARPNJQSQNTRU-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777426 721352367 /nfs/dbraw/zinc/35/23/67/721352367.db2.gz GYPUUNPVCXSZOD-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cl)cc3Cl)C2)C1 ZINC001164786025 721362746 /nfs/dbraw/zinc/36/27/46/721362746.db2.gz UNAYBSYLRSYGNR-NRFANRHFSA-N 1 1 439.387 4.421 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cl)cc3Cl)C2)C1 ZINC001164786025 721362749 /nfs/dbraw/zinc/36/27/49/721362749.db2.gz UNAYBSYLRSYGNR-NRFANRHFSA-N 1 1 439.387 4.421 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780271 721363442 /nfs/dbraw/zinc/36/34/42/721363442.db2.gz FKVASCMKKAVVSR-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164789479 721449394 /nfs/dbraw/zinc/44/93/94/721449394.db2.gz WPNSGXCYRFDPGH-GOSISDBHSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164788529 721464711 /nfs/dbraw/zinc/46/47/11/721464711.db2.gz TVMKYGBUPSWFNG-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898673 721502320 /nfs/dbraw/zinc/50/23/20/721502320.db2.gz SZQSQNLECKKCTH-XZOQPEGZSA-N 1 1 442.648 4.166 20 0 IIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795585 721505606 /nfs/dbraw/zinc/50/56/06/721505606.db2.gz LZRUYGLQMLPUAE-AJTFRIOCSA-N 1 1 441.579 4.115 20 0 IIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795585 721505611 /nfs/dbraw/zinc/50/56/11/721505611.db2.gz LZRUYGLQMLPUAE-AJTFRIOCSA-N 1 1 441.579 4.115 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@H]12 ZINC001164805318 721540915 /nfs/dbraw/zinc/54/09/15/721540915.db2.gz LRCDRANNAFEDFM-SBHAEUEKSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@H]12 ZINC001164805318 721540918 /nfs/dbraw/zinc/54/09/18/721540918.db2.gz LRCDRANNAFEDFM-SBHAEUEKSA-N 1 1 437.613 4.252 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164907555 721559300 /nfs/dbraw/zinc/55/93/00/721559300.db2.gz OJLRZHJKLHZGLK-REWPJTCUSA-N 1 1 434.515 4.023 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)c1 ZINC001164807427 721570636 /nfs/dbraw/zinc/57/06/36/721570636.db2.gz TTZWGPOEADUUIN-SLSDLSHTSA-N 1 1 447.608 4.199 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)c1 ZINC001164807427 721570637 /nfs/dbraw/zinc/57/06/37/721570637.db2.gz TTZWGPOEADUUIN-SLSDLSHTSA-N 1 1 447.608 4.199 20 0 IIADMO FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906143 721584160 /nfs/dbraw/zinc/58/41/60/721584160.db2.gz YZQPLGBNABIOHS-SFHVURJKSA-N 1 1 428.861 4.413 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164810849 721588141 /nfs/dbraw/zinc/58/81/41/721588141.db2.gz WKJOTHBJYHTWSU-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164810849 721588143 /nfs/dbraw/zinc/58/81/43/721588143.db2.gz WKJOTHBJYHTWSU-QWFCFKBJSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810847 721588238 /nfs/dbraw/zinc/58/82/38/721588238.db2.gz WKJOTHBJYHTWSU-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810847 721588239 /nfs/dbraw/zinc/58/82/39/721588239.db2.gz WKJOTHBJYHTWSU-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)c1 ZINC001164800685 721601685 /nfs/dbraw/zinc/60/16/85/721601685.db2.gz MPXPUBMJVSAXIG-ATIYNZHBSA-N 1 1 436.600 4.081 20 0 IIADMO FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904733 721693517 /nfs/dbraw/zinc/69/35/17/721693517.db2.gz FYOBOSHUVNLDIA-OAQYLSRUSA-N 1 1 433.934 4.142 20 0 IIADMO CCc1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912896 721735268 /nfs/dbraw/zinc/73/52/68/721735268.db2.gz QXDUUNKKTDFIJB-LJQANCHMSA-N 1 1 442.341 4.479 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909614 721755033 /nfs/dbraw/zinc/75/50/33/721755033.db2.gz JVSTUVZWMNFYLD-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909614 721755040 /nfs/dbraw/zinc/75/50/40/721755040.db2.gz JVSTUVZWMNFYLD-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO CCc1c(Cl)nnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1CC ZINC001164910940 721755472 /nfs/dbraw/zinc/75/54/72/721755472.db2.gz UUJJXFMLKJJOKA-UHFFFAOYSA-N 1 1 425.964 4.438 20 0 IIADMO CCc1c(Cl)nnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1CC ZINC001164910940 721755476 /nfs/dbraw/zinc/75/54/76/721755476.db2.gz UUJJXFMLKJJOKA-UHFFFAOYSA-N 1 1 425.964 4.438 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164910853 721756518 /nfs/dbraw/zinc/75/65/18/721756518.db2.gz SUMVWFJQVYIOGG-UHFFFAOYSA-N 1 1 440.960 4.231 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)s1 ZINC001164910853 721756521 /nfs/dbraw/zinc/75/65/21/721756521.db2.gz SUMVWFJQVYIOGG-UHFFFAOYSA-N 1 1 440.960 4.231 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1Oc1ccccc1)C2 ZINC001164910637 721764130 /nfs/dbraw/zinc/76/41/30/721764130.db2.gz JQKLSMHJFGJBDF-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1Oc1ccccc1)C2 ZINC001164910637 721764138 /nfs/dbraw/zinc/76/41/38/721764138.db2.gz JQKLSMHJFGJBDF-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026925 721802844 /nfs/dbraw/zinc/80/28/44/721802844.db2.gz SNTNFFLMIRRXHC-FVQBIDKESA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]21 ZINC001165018816 721820440 /nfs/dbraw/zinc/82/04/40/721820440.db2.gz ALPQDEDSBSMVTI-GVXSCFBNSA-N 1 1 425.580 4.374 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2)C1 ZINC001165027041 721823362 /nfs/dbraw/zinc/82/33/62/721823362.db2.gz RFBUPNQLBANWMX-OAUWFCSDSA-N 1 1 447.627 4.086 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027522 721825837 /nfs/dbraw/zinc/82/58/37/721825837.db2.gz SMVXCBFXXMIRLX-CDNPAEQRSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027522 721825838 /nfs/dbraw/zinc/82/58/38/721825838.db2.gz SMVXCBFXXMIRLX-CDNPAEQRSA-N 1 1 432.568 4.384 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2)n1 ZINC001165027513 721827609 /nfs/dbraw/zinc/82/76/09/721827609.db2.gz SMKDVOSMTYMRNV-NNWRFLSQSA-N 1 1 432.572 4.387 20 0 IIADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001165026338 721828146 /nfs/dbraw/zinc/82/81/46/721828146.db2.gz OWUIBOPKHREHTI-ANJVHQHFSA-N 1 1 430.552 4.153 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927411 721868261 /nfs/dbraw/zinc/86/82/61/721868261.db2.gz UYNUOOGLRWCQDK-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927411 721868263 /nfs/dbraw/zinc/86/82/63/721868263.db2.gz UYNUOOGLRWCQDK-VXKWHMMOSA-N 1 1 439.966 4.304 20 0 IIADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H](CO)C3)n2)CC1 ZINC001165032944 721878813 /nfs/dbraw/zinc/87/88/13/721878813.db2.gz IWQQBMYHILJHDS-INIZCTEOSA-N 1 1 428.627 4.470 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CSCC5)CC3)C2)cc1 ZINC001164939872 721921734 /nfs/dbraw/zinc/92/17/34/721921734.db2.gz ORQVRTUEIWBOTN-UHFFFAOYSA-N 1 1 445.032 4.099 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)cc4N)CC3)C2)cc1 ZINC001164941038 721926579 /nfs/dbraw/zinc/92/65/79/721926579.db2.gz ZHRFVDVCMOLZJP-UHFFFAOYSA-N 1 1 436.934 4.042 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5ccc(F)cc5)ncn4)CC3)C2)cc1 ZINC001164939025 721931459 /nfs/dbraw/zinc/93/14/59/721931459.db2.gz HIGVEXBYBXKPIA-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-c5ccncc5)nc(C)n4)CC3)C2)cc1 ZINC001164938995 721931680 /nfs/dbraw/zinc/93/16/80/721931680.db2.gz GKFRCYFCOIQQPN-UHFFFAOYSA-N 1 1 429.568 4.027 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164949892 721968006 /nfs/dbraw/zinc/96/80/06/721968006.db2.gz ZGSMRXCGKMNFNP-OBDYRVMHSA-N 1 1 432.612 4.397 20 0 IIADMO CC1(C)C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001165052213 721995128 /nfs/dbraw/zinc/99/51/28/721995128.db2.gz UMEQKQYRASEQTC-UHFFFAOYSA-N 1 1 435.597 4.059 20 0 IIADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955479 722018876 /nfs/dbraw/zinc/01/88/76/722018876.db2.gz IVEMDKIDBGFBQU-UHFFFAOYSA-N 1 1 442.007 4.151 20 0 IIADMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1-c1ccccc1F ZINC001164965213 722062014 /nfs/dbraw/zinc/06/20/14/722062014.db2.gz JLYJZBLOJAXHMP-UHFFFAOYSA-N 1 1 447.558 4.105 20 0 IIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980746 722103595 /nfs/dbraw/zinc/10/35/95/722103595.db2.gz KEWKNWFMTJVSMT-WBVHZDCISA-N 1 1 443.325 4.056 20 0 IIADMO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971237 722158782 /nfs/dbraw/zinc/15/87/82/722158782.db2.gz BDWXJBXRMUBYQZ-UYAOXDASSA-N 1 1 426.923 4.150 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(CC)C(=O)[C@H]3COCC)CC2)nc1 ZINC001164991052 722187755 /nfs/dbraw/zinc/18/77/55/722187755.db2.gz NXRHFMXZGIYWRQ-DHIUTWEWSA-N 1 1 442.648 4.120 20 0 IIADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993267 722194792 /nfs/dbraw/zinc/19/47/92/722194792.db2.gz DVOHPZFXVSPEMD-FQEVSTJZSA-N 1 1 439.913 4.125 20 0 IIADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993267 722194795 /nfs/dbraw/zinc/19/47/95/722194795.db2.gz DVOHPZFXVSPEMD-FQEVSTJZSA-N 1 1 439.913 4.125 20 0 IIADMO CCOC(=O)c1ccc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994004 722199486 /nfs/dbraw/zinc/19/94/86/722199486.db2.gz CIHANXKUIKUEAW-VWLOTQADSA-N 1 1 434.515 4.191 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164995972 722207835 /nfs/dbraw/zinc/20/78/35/722207835.db2.gz QSFMLDHBOWRCSP-SANMLTNESA-N 1 1 436.575 4.338 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995939 722207865 /nfs/dbraw/zinc/20/78/65/722207865.db2.gz QEPMOLQBYVHOHS-IBVKSMDESA-N 1 1 436.575 4.338 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@H]2c2nccc(N(CC)CC)n2)nc1 ZINC001164999084 722227688 /nfs/dbraw/zinc/22/76/88/722227688.db2.gz IBJRBWAIVWSRAV-FGZHOGPDSA-N 1 1 438.620 4.233 20 0 IIADMO OC[C@]1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOc2ccccc21 ZINC000441343950 1126093218 /nfs/dbraw/zinc/09/32/18/1126093218.db2.gz CWAWOZDRHHHRGA-HXUWFJFHSA-N 1 1 431.355 4.333 20 0 IIADMO CC(=O)N(c1nc(C[NH2+]C2(CO)Cc3ccccc3C2)cs1)c1cccc(Cl)c1 ZINC000559394961 1126097272 /nfs/dbraw/zinc/09/72/72/1126097272.db2.gz NZKRFQNBFIKFHB-UHFFFAOYSA-N 1 1 427.957 4.101 20 0 IIADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765784 1126099576 /nfs/dbraw/zinc/09/95/76/1126099576.db2.gz IIUWVCDLMIHNNO-APWZRJJASA-N 1 1 436.455 4.163 20 0 IIADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 ZINC001176589602 1126149805 /nfs/dbraw/zinc/14/98/05/1126149805.db2.gz XQEUJTYSDMXWMX-DEOSSOPVSA-N 1 1 439.581 4.228 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)Cc2ccccc2C)cs1)c1ccc(F)cc1F ZINC001308696760 1126168366 /nfs/dbraw/zinc/16/83/66/1126168366.db2.gz PSQOTXCRDXDYQY-SFHVURJKSA-N 1 1 431.508 4.108 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2ccccc2C)cs1)c1cccc(Cl)c1 ZINC001560761447 1126214090 /nfs/dbraw/zinc/21/40/90/1126214090.db2.gz IHSYFDXXSLVMTH-LJQANCHMSA-N 1 1 429.973 4.483 20 0 IIADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001560954381 1126214334 /nfs/dbraw/zinc/21/43/34/1126214334.db2.gz OOYJBKILGNLHBG-HSZRJFAPSA-N 1 1 443.544 4.059 20 0 IIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629151 719082788 /nfs/dbraw/zinc/08/27/88/719082788.db2.gz WAHSPHWUTOKWGL-HZPDHXFCSA-N 1 1 435.355 4.061 20 0 IIADMO O=C(c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630520 719099462 /nfs/dbraw/zinc/09/94/62/719099462.db2.gz WTZCIHIBTHLVQG-OFNKIYASSA-N 1 1 439.003 4.462 20 0 IIADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164623331 719114184 /nfs/dbraw/zinc/11/41/84/719114184.db2.gz CMJJMTRBORUMOV-JKSUJKDBSA-N 1 1 449.958 4.471 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164654073 719317508 /nfs/dbraw/zinc/31/75/08/719317508.db2.gz NZULWDKEKRLVJI-UHFFFAOYSA-N 1 1 440.979 4.111 20 0 IIADMO Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670304 719445820 /nfs/dbraw/zinc/44/58/20/719445820.db2.gz NTWQOVBCFHOTGZ-VQTJNVASSA-N 1 1 443.576 4.248 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164693927 719803160 /nfs/dbraw/zinc/80/31/60/719803160.db2.gz VVMBMNZYZZNPAV-UHFFFAOYSA-N 1 1 434.993 4.312 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(N)cc(Cl)n2)CC3)cs1 ZINC001164694419 719810489 /nfs/dbraw/zinc/81/04/89/719810489.db2.gz XFHOXHQXEIGSLC-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(N)cc(Cl)n2)CC3)cs1 ZINC001164694419 719810490 /nfs/dbraw/zinc/81/04/90/719810490.db2.gz XFHOXHQXEIGSLC-UHFFFAOYSA-N 1 1 427.952 4.262 20 0 IIADMO CCOC(=O)/C=C/c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692641 719811522 /nfs/dbraw/zinc/81/15/22/719811522.db2.gz QGJYFIXENOPEAC-SOFGYWHQSA-N 1 1 426.586 4.058 20 0 IIADMO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164699278 719893439 /nfs/dbraw/zinc/89/34/39/719893439.db2.gz YQMOWFNPYMVWKL-UHFFFAOYSA-N 1 1 444.988 4.225 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164698181 719897813 /nfs/dbraw/zinc/89/78/13/719897813.db2.gz PJTLYZIBCNXGDM-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164711049 720092811 /nfs/dbraw/zinc/09/28/11/720092811.db2.gz NMIBAKZWQKUYQF-LJQANCHMSA-N 1 1 436.934 4.182 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164812222 720100236 /nfs/dbraw/zinc/10/02/36/720100236.db2.gz PYCGODOMVZSTEE-UTKZUKDTSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810438 720103056 /nfs/dbraw/zinc/10/30/56/720103056.db2.gz JTDNWVQTMODSNH-AJTFRIOCSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164718552 720112864 /nfs/dbraw/zinc/11/28/64/720112864.db2.gz SBXJDFWXOSUAMZ-GOSISDBHSA-N 1 1 433.021 4.359 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164714029 720145117 /nfs/dbraw/zinc/14/51/17/720145117.db2.gz VLLUTLYOHOIXLU-FQEVSTJZSA-N 1 1 435.597 4.108 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817904 720151507 /nfs/dbraw/zinc/15/15/07/720151507.db2.gz QRQXLCIIUYJHAP-CYFREDJKSA-N 1 1 440.613 4.176 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)C2 ZINC001164817909 720151941 /nfs/dbraw/zinc/15/19/41/720151941.db2.gz QRQXLCIIUYJHAP-YADARESESA-N 1 1 440.613 4.176 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)C2 ZINC001164812972 720156459 /nfs/dbraw/zinc/15/64/59/720156459.db2.gz BCBPBYZMIQOTFY-YIXXDRMTSA-N 1 1 449.595 4.028 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816062 720161676 /nfs/dbraw/zinc/16/16/76/720161676.db2.gz KFNLAQDIPJSTAY-HOYKHHGWSA-N 1 1 426.630 4.063 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817121 720180994 /nfs/dbraw/zinc/18/09/94/720180994.db2.gz OAQWYJMGXGXGHI-SBUREZEXSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812384 720192159 /nfs/dbraw/zinc/19/21/59/720192159.db2.gz ACLCCZNQTJWDPS-QRQCRPRQSA-N 1 1 436.934 4.406 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001164811485 720198058 /nfs/dbraw/zinc/19/80/58/720198058.db2.gz IKTAFYUZCJDZSD-SBUREZEXSA-N 1 1 446.954 4.246 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164728519 720441679 /nfs/dbraw/zinc/44/16/79/720441679.db2.gz FOCUXYODZFIUSB-FGZHOGPDSA-N 1 1 433.943 4.236 20 0 IIADMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1 ZINC001164730211 720466491 /nfs/dbraw/zinc/46/64/91/720466491.db2.gz SVAFRMMDVUXVNU-IZZNHLLZSA-N 1 1 440.595 4.382 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732041 720476867 /nfs/dbraw/zinc/47/68/67/720476867.db2.gz YIPIAFBWSHIOHR-MSOLQXFVSA-N 1 1 425.895 4.310 20 0 IIADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164729543 720479901 /nfs/dbraw/zinc/47/99/01/720479901.db2.gz RNQFBVZYBQCOCV-UXHICEINSA-N 1 1 437.931 4.179 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839626 720542662 /nfs/dbraw/zinc/54/26/62/720542662.db2.gz QWPFUXIAYLBMLL-NJNPRVFISA-N 1 1 439.991 4.471 20 0 IIADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838599 720545269 /nfs/dbraw/zinc/54/52/69/720545269.db2.gz ORRAOUGBRGHMIK-ZWCUEREDSA-N 1 1 439.991 4.471 20 0 IIADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840722 720568296 /nfs/dbraw/zinc/56/82/96/720568296.db2.gz SRKLHTDTXQRSFB-IRFCIJBXSA-N 1 1 430.556 4.259 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835598 720592658 /nfs/dbraw/zinc/59/26/58/720592658.db2.gz BPJYVVIZEOEUNP-SESVDKBCSA-N 1 1 440.592 4.003 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3OCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835930 720598697 /nfs/dbraw/zinc/59/86/97/720598697.db2.gz CSSQZMDAHCOGSB-TZRRMPRUSA-N 1 1 431.584 4.235 20 0 IIADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843606 720599843 /nfs/dbraw/zinc/59/98/43/720599843.db2.gz YPDQDNFPPWPKPB-GUDVDZBRSA-N 1 1 431.028 4.310 20 0 IIADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840592 720639241 /nfs/dbraw/zinc/63/92/41/720639241.db2.gz PXDQKMSZOKJNKP-JCTONOIOSA-N 1 1 434.563 4.165 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164840536 720697976 /nfs/dbraw/zinc/69/79/76/720697976.db2.gz GFPJRDJMVMVBOR-DEOSSOPVSA-N 1 1 444.579 4.316 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164837902 720729836 /nfs/dbraw/zinc/72/98/36/720729836.db2.gz OIBVHDWDTWXYEN-NRFANRHFSA-N 1 1 431.584 4.485 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164846802 720754896 /nfs/dbraw/zinc/75/48/96/720754896.db2.gz KDBRNGZRJMHHMB-GAJHUEQPSA-N 1 1 429.634 4.178 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164845138 720780286 /nfs/dbraw/zinc/78/02/86/720780286.db2.gz FCYUATAEMUHGEE-NGSHPTGOSA-N 1 1 436.600 4.367 20 0 IIADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744026 720827357 /nfs/dbraw/zinc/82/73/57/720827357.db2.gz TZCKKYBOGQVNFV-QZNHQXDQSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740476 720839902 /nfs/dbraw/zinc/83/99/02/720839902.db2.gz BZAHCCCHMNEJRG-FGTMMUONSA-N 1 1 443.020 4.229 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739429 720841803 /nfs/dbraw/zinc/84/18/03/720841803.db2.gz AFMLNXLFLWZZFY-JAXLGGSGSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1C ZINC001164745778 720849695 /nfs/dbraw/zinc/84/96/95/720849695.db2.gz NJWZEDAMRODZLE-AOHZBQACSA-N 1 1 430.600 4.131 20 0 IIADMO Cc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754096 720868254 /nfs/dbraw/zinc/86/82/54/720868254.db2.gz RBSLLLIGNZMSLE-BWKNWUBXSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747200 720880834 /nfs/dbraw/zinc/88/08/34/720880834.db2.gz ALCXYBYVDUUVIS-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1cccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754361 720892502 /nfs/dbraw/zinc/89/25/02/720892502.db2.gz IOMLDCVJKBGWNU-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@H]2C ZINC001164858677 720934531 /nfs/dbraw/zinc/93/45/31/720934531.db2.gz JVVPCZSKFZLRIG-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@@H]2C ZINC001164857031 720954415 /nfs/dbraw/zinc/95/44/15/720954415.db2.gz FRHUSBAOAKKHIG-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@@H]2C ZINC001164859900 720980482 /nfs/dbraw/zinc/98/04/82/720980482.db2.gz MXUWTHYFXBOHDG-CQSZACIVSA-N 1 1 445.930 4.074 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@@H]2C ZINC001164862486 721012592 /nfs/dbraw/zinc/01/25/92/721012592.db2.gz QOKWUQDDKDWVST-MRXNPFEDSA-N 1 1 449.584 4.478 20 0 IIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865530 721077724 /nfs/dbraw/zinc/07/77/24/721077724.db2.gz MLSXUSGZMNFOJV-PMACEKPBSA-N 1 1 444.913 4.308 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761641 721155808 /nfs/dbraw/zinc/15/58/08/721155808.db2.gz ABXQCZPRFOXSDD-MSOLQXFVSA-N 1 1 431.918 4.125 20 0 IIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763957 721237153 /nfs/dbraw/zinc/23/71/53/721237153.db2.gz OMOSBOPJKUDCMT-JKSUJKDBSA-N 1 1 431.918 4.167 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)nc1 ZINC001164873697 721315506 /nfs/dbraw/zinc/31/55/06/721315506.db2.gz AFQOVBSTLVCQHF-CAUSLRQDSA-N 1 1 436.600 4.476 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)nc1 ZINC001164873699 721315544 /nfs/dbraw/zinc/31/55/44/721315544.db2.gz AFQOVBSTLVCQHF-MSNJVRRCSA-N 1 1 436.600 4.476 20 0 IIADMO CCN1CC[C@]2(CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C)C1=O ZINC001164779017 721322044 /nfs/dbraw/zinc/32/20/44/721322044.db2.gz TVXXNQZTPJUTJA-SSOJOUAXSA-N 1 1 449.624 4.115 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164877089 721329452 /nfs/dbraw/zinc/32/94/52/721329452.db2.gz SHDRTBWTEBEAMM-OAQYLSRUSA-N 1 1 439.629 4.218 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779030 721340511 /nfs/dbraw/zinc/34/05/11/721340511.db2.gz PBZXYJKFDSSOKR-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782965 721354552 /nfs/dbraw/zinc/35/45/52/721354552.db2.gz OIGGDZXVIPUCMC-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782965 721354554 /nfs/dbraw/zinc/35/45/54/721354554.db2.gz OIGGDZXVIPUCMC-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887104 721401169 /nfs/dbraw/zinc/40/11/69/721401169.db2.gz LAGJXSQMOVMZRD-JPYJTQIMSA-N 1 1 449.426 4.307 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885101 721409594 /nfs/dbraw/zinc/40/95/94/721409594.db2.gz FMQLEXCWTQUMPY-BWKNWUBXSA-N 1 1 441.019 4.167 20 0 IIADMO CSc1ccc(Oc2cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)ncn2)cc1 ZINC001164790195 721421717 /nfs/dbraw/zinc/42/17/17/721421717.db2.gz WNSCMKQCDRXSEY-IYBDPMFKSA-N 1 1 425.583 4.016 20 0 IIADMO CSc1ccc(Oc2cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)ncn2)cc1 ZINC001164790195 721421720 /nfs/dbraw/zinc/42/17/20/721421720.db2.gz WNSCMKQCDRXSEY-IYBDPMFKSA-N 1 1 425.583 4.016 20 0 IIADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791013 721425696 /nfs/dbraw/zinc/42/56/96/721425696.db2.gz ZANXYLKTSLNXQH-GBESFXJTSA-N 1 1 434.613 4.033 20 0 IIADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791013 721425699 /nfs/dbraw/zinc/42/56/99/721425699.db2.gz ZANXYLKTSLNXQH-GBESFXJTSA-N 1 1 434.613 4.033 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784865 721436423 /nfs/dbraw/zinc/43/64/23/721436423.db2.gz MTHWTLRLCXBPHL-ZIAGYGMSSA-N 1 1 431.924 4.086 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884336 721447897 /nfs/dbraw/zinc/44/78/97/721447897.db2.gz ASCGMSYXRFHVQH-WZONZLPQSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164785098 721457346 /nfs/dbraw/zinc/45/73/46/721457346.db2.gz GNGHNQBHNPDEAS-KRWDZBQOSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc(Cl)ccc3n1)CC2 ZINC001164787876 721457410 /nfs/dbraw/zinc/45/74/10/721457410.db2.gz SRYPJILQKFABTN-HXUWFJFHSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1C)CC2 ZINC001164782704 721464820 /nfs/dbraw/zinc/46/48/20/721464820.db2.gz BCACMYYSZXAFSA-GOSISDBHSA-N 1 1 442.431 4.431 20 0 IIADMO CCOC[C@@H]1CN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164790303 721477586 /nfs/dbraw/zinc/47/75/86/721477586.db2.gz DHMXBAVDHGMEBO-SFHVURJKSA-N 1 1 442.633 4.024 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793355 721487984 /nfs/dbraw/zinc/48/79/84/721487984.db2.gz QRBSOWVBNANLDQ-QFZWGZQFSA-N 1 1 440.563 4.085 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792844 721496795 /nfs/dbraw/zinc/49/67/95/721496795.db2.gz TYDNAUKJPPSTSW-UHFFFAOYSA-N 1 1 442.991 4.496 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)cc1 ZINC001164795752 721498859 /nfs/dbraw/zinc/49/88/59/721498859.db2.gz LRSQXYPWDUNREM-UHFFFAOYSA-N 1 1 442.611 4.486 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800647 721533967 /nfs/dbraw/zinc/53/39/67/721533967.db2.gz CVEKKJIKFPGTGW-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800647 721533974 /nfs/dbraw/zinc/53/39/74/721533974.db2.gz CVEKKJIKFPGTGW-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807157 721548552 /nfs/dbraw/zinc/54/85/52/721548552.db2.gz PQQJIFPSVQMGLZ-CZTZKLFOSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164802280 721554341 /nfs/dbraw/zinc/55/43/41/721554341.db2.gz IAAYIBKBWJTPCO-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164802280 721554343 /nfs/dbraw/zinc/55/43/43/721554343.db2.gz IAAYIBKBWJTPCO-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2cc1C ZINC001164804656 721564200 /nfs/dbraw/zinc/56/42/00/721564200.db2.gz LHVPAGSBVZLPFK-BHIFYINESA-N 1 1 437.975 4.163 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2cc1C ZINC001164804656 721564204 /nfs/dbraw/zinc/56/42/04/721564204.db2.gz LHVPAGSBVZLPFK-BHIFYINESA-N 1 1 437.975 4.163 20 0 IIADMO 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 721575628 /nfs/dbraw/zinc/57/56/28/721575628.db2.gz CYAJMDAOUWRLPV-TXTKFYIRSA-N 1 1 437.632 4.335 20 0 IIADMO 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 721576378 /nfs/dbraw/zinc/57/63/78/721576378.db2.gz CYAJMDAOUWRLPV-VIZSFHNOSA-N 1 1 437.632 4.335 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164800673 721581804 /nfs/dbraw/zinc/58/18/04/721581804.db2.gz CKSSDZCCHJXQCV-GIWBLDEGSA-N 1 1 449.986 4.369 20 0 IIADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588722 /nfs/dbraw/zinc/58/87/22/721588722.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 1 1 449.643 4.282 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588724 /nfs/dbraw/zinc/58/87/24/721588724.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 1 1 449.643 4.282 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164805811 721590386 /nfs/dbraw/zinc/59/03/86/721590386.db2.gz LXYBRPINQOUPJJ-SCTDSRPQSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164805811 721590388 /nfs/dbraw/zinc/59/03/88/721590388.db2.gz LXYBRPINQOUPJJ-SCTDSRPQSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@@H]21 ZINC001164803392 721591922 /nfs/dbraw/zinc/59/19/22/721591922.db2.gz HXXIGQXDVBLHLM-NJYVYQBISA-N 1 1 448.945 4.421 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@@H]21 ZINC001164803392 721591923 /nfs/dbraw/zinc/59/19/23/721591923.db2.gz HXXIGQXDVBLHLM-NJYVYQBISA-N 1 1 448.945 4.421 20 0 IIADMO Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906713 721695747 /nfs/dbraw/zinc/69/57/47/721695747.db2.gz PFNYSKSARPXEFR-JOCHJYFZSA-N 1 1 427.474 4.210 20 0 IIADMO FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908425 721697148 /nfs/dbraw/zinc/69/71/48/721697148.db2.gz ZDBRIIKHHXMNOQ-IBGZPJMESA-N 1 1 437.947 4.010 20 0 IIADMO FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907373 721707917 /nfs/dbraw/zinc/70/79/17/721707917.db2.gz RELLBJRDPIDPPA-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904307 721711506 /nfs/dbraw/zinc/71/15/06/721711506.db2.gz BNVCZSMFDKESRV-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164904983 721711897 /nfs/dbraw/zinc/71/18/97/721711897.db2.gz GHELFWFRPJNMOK-QHCPKHFHSA-N 1 1 444.526 4.008 20 0 IIADMO CSc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912687 721737625 /nfs/dbraw/zinc/73/76/25/721737625.db2.gz PKJKVLBPJMSLTI-LJQANCHMSA-N 1 1 437.585 4.053 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001164911149 721761509 /nfs/dbraw/zinc/76/15/09/721761509.db2.gz NBUXPFMMNBJMAP-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001164911149 721761511 /nfs/dbraw/zinc/76/15/11/721761511.db2.gz NBUXPFMMNBJMAP-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO COc1ccccc1-c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164909564 721762141 /nfs/dbraw/zinc/76/21/41/721762141.db2.gz CESRZPCBLMPVLZ-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccccc1-c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164909564 721762146 /nfs/dbraw/zinc/76/21/46/721762146.db2.gz CESRZPCBLMPVLZ-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164912547 721766028 /nfs/dbraw/zinc/76/60/28/721766028.db2.gz ZJSGMXAKHUAMEK-UHFFFAOYSA-N 1 1 442.498 4.433 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164912547 721766030 /nfs/dbraw/zinc/76/60/30/721766030.db2.gz ZJSGMXAKHUAMEK-UHFFFAOYSA-N 1 1 442.498 4.433 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024651 721798657 /nfs/dbraw/zinc/79/86/57/721798657.db2.gz MPTRQNQCDOKFAO-FFZOFVMBSA-N 1 1 428.964 4.044 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024659 721798791 /nfs/dbraw/zinc/79/87/91/721798791.db2.gz MPTRQNQCDOKFAO-VDGAXYAQSA-N 1 1 428.964 4.044 20 0 IIADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026616 721799423 /nfs/dbraw/zinc/79/94/23/721799423.db2.gz ROFTUYUCCGHDDD-XUEUYAKLSA-N 1 1 437.975 4.424 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026632 721801619 /nfs/dbraw/zinc/80/16/19/721801619.db2.gz RQIQMYKPIBJRGN-CUWPLCDZSA-N 1 1 442.991 4.352 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@@H]21 ZINC001165025064 721803883 /nfs/dbraw/zinc/80/38/83/721803883.db2.gz NKOMJZOERHCSIL-OXFYSEKESA-N 1 1 430.021 4.051 20 0 IIADMO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165022741 721812704 /nfs/dbraw/zinc/81/27/04/721812704.db2.gz GZNVABMZRVHLJK-QTGUNEKASA-N 1 1 447.583 4.087 20 0 IIADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2n1 ZINC001165025257 721814640 /nfs/dbraw/zinc/81/46/40/721814640.db2.gz MBUWPUSWHYOXNB-ILZDJORESA-N 1 1 437.975 4.424 20 0 IIADMO COc1cccc(Oc2cncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)c1 ZINC001165023521 721818803 /nfs/dbraw/zinc/81/88/03/721818803.db2.gz HNBAIGILJKNLKY-WUMKDDEVSA-N 1 1 445.567 4.409 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165026087 721820264 /nfs/dbraw/zinc/82/02/64/721820264.db2.gz PDHHJUMFLSBCBT-NZJKTDFXSA-N 1 1 442.611 4.342 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]21 ZINC001165024688 721822732 /nfs/dbraw/zinc/82/27/32/721822732.db2.gz KYVFEIOILWDAGD-BMGDILEWSA-N 1 1 443.382 4.464 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165026780 721823616 /nfs/dbraw/zinc/82/36/16/721823616.db2.gz QGSSBCXLQBCUML-GPUOULLFSA-N 1 1 447.627 4.086 20 0 IIADMO COc1ccccc1-c1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027574 721824389 /nfs/dbraw/zinc/82/43/89/721824389.db2.gz SRKNOAOTXOGLLW-KWOQKUFVSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccc(-c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncn2)cc1 ZINC001165021504 721825542 /nfs/dbraw/zinc/82/55/42/721825542.db2.gz FWQCLJXGMMQIEX-QUURXOELSA-N 1 1 429.568 4.284 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165029749 721825578 /nfs/dbraw/zinc/82/55/78/721825578.db2.gz XPOCCTGRYPRVLN-BPUDTRNYSA-N 1 1 430.552 4.153 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]21 ZINC001165023248 721828235 /nfs/dbraw/zinc/82/82/35/721828235.db2.gz IIXZRWUDIUDSQF-QUURXOELSA-N 1 1 440.595 4.159 20 0 IIADMO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026735 721828870 /nfs/dbraw/zinc/82/88/70/721828870.db2.gz PWXVUKALVNRXNL-CAOCKLPOSA-N 1 1 443.595 4.496 20 0 IIADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165043125 721920779 /nfs/dbraw/zinc/92/07/79/721920779.db2.gz HJLQDFLTQYACNQ-HXUWFJFHSA-N 1 1 437.918 4.160 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165044271 721959713 /nfs/dbraw/zinc/95/97/13/721959713.db2.gz HFUHROJXWRHCPO-UHFFFAOYSA-N 1 1 428.895 4.262 20 0 IIADMO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164948335 721966693 /nfs/dbraw/zinc/96/66/93/721966693.db2.gz TZLFQSTVIOTERJ-RDGATRHJSA-N 1 1 439.003 4.100 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164958306 722030218 /nfs/dbraw/zinc/03/02/18/722030218.db2.gz OMMSBJQSOHGPEU-VCHRRKICSA-N 1 1 440.563 4.368 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)nc1 ZINC001164985203 722098196 /nfs/dbraw/zinc/09/81/96/722098196.db2.gz VKWZYPIUUSGVGP-STAYPELNSA-N 1 1 433.600 4.174 20 0 IIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980744 722103327 /nfs/dbraw/zinc/10/33/27/722103327.db2.gz KEWKNWFMTJVSMT-RDJZCZTQSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971905 722114611 /nfs/dbraw/zinc/11/46/11/722114611.db2.gz DEMCDGIIXQGJGJ-VQIMIIECSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971902 722114728 /nfs/dbraw/zinc/11/47/28/722114728.db2.gz DEMCDGIIXQGJGJ-APWZRJJASA-N 1 1 444.366 4.059 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973060 722116340 /nfs/dbraw/zinc/11/63/40/722116340.db2.gz GGVKOOJKJDEAIW-FDDCHVKYSA-N 1 1 438.959 4.019 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973062 722116702 /nfs/dbraw/zinc/11/67/02/722116702.db2.gz GGVKOOJKJDEAIW-JPYJTQIMSA-N 1 1 438.959 4.019 20 0 IIADMO Clc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973835 722117829 /nfs/dbraw/zinc/11/78/29/722117829.db2.gz HJSNRTFVMMDWLQ-QFBILLFUSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1Cl ZINC001164971861 722121646 /nfs/dbraw/zinc/12/16/46/722121646.db2.gz CUWIOTYJZTYVGS-ZBFHGGJFSA-N 1 1 427.763 4.164 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995189 722205340 /nfs/dbraw/zinc/20/53/40/722205340.db2.gz LLOKRNOLCYVLTN-QFIPXVFZSA-N 1 1 428.943 4.445 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4cccnc4)nc4c2CCC4)C3)c1 ZINC001164997450 722210439 /nfs/dbraw/zinc/21/04/39/722210439.db2.gz QGDGLMQQQVYXMW-SANMLTNESA-N 1 1 429.543 4.411 20 0 IIADMO Cn1c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc21 ZINC000247962293 568632676 /nfs/dbraw/zinc/63/26/76/568632676.db2.gz FLUIBQGHCSEMLZ-UHFFFAOYSA-N 1 1 427.346 4.187 20 0 IIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@]5(CCOC5)C4)c23)C1 ZINC001164392113 718807762 /nfs/dbraw/zinc/80/77/62/718807762.db2.gz YDPAWZMDKACICC-BXKMTCNYSA-N 1 1 426.630 4.419 20 0 IIADMO c1ccc(CN2CCc3ncnc(N4CCC[C@@H]5C[N@@H+](Cc6ccccc6)C[C@H]54)c3C2)cc1 ZINC001164629087 719062343 /nfs/dbraw/zinc/06/23/43/719062343.db2.gz VLSJEFQZMJZSEL-SHQCIBLASA-N 1 1 439.607 4.136 20 0 IIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2n1 ZINC001164621009 719067112 /nfs/dbraw/zinc/06/71/12/719067112.db2.gz GBSNHXGNSHTZMW-KBPBESRZSA-N 1 1 449.773 4.481 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC001164626537 719076127 /nfs/dbraw/zinc/07/61/27/719076127.db2.gz OGIGJODYUYCGGE-QFBILLFUSA-N 1 1 435.902 4.167 20 0 IIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623557 719076147 /nfs/dbraw/zinc/07/61/47/719076147.db2.gz JSEOWYLFKGMLLG-WMZOPIPTSA-N 1 1 435.902 4.167 20 0 IIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@@H]3C2)cc1 ZINC001164622285 719102890 /nfs/dbraw/zinc/10/28/90/719102890.db2.gz BPUZZBJZTZIGDD-LADGPHEKSA-N 1 1 442.563 4.406 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164651206 719315002 /nfs/dbraw/zinc/31/50/02/719315002.db2.gz IEYWRYYXXNJZDD-UHFFFAOYSA-N 1 1 444.942 4.463 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)NC(C)(C)C)cn2)CC3)cs1 ZINC001164693840 719809006 /nfs/dbraw/zinc/80/90/06/719809006.db2.gz RNHHZJDYPAMMAE-UHFFFAOYSA-N 1 1 427.618 4.010 20 0 IIADMO Fc1ccc(Oc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164707569 719899489 /nfs/dbraw/zinc/89/94/89/719899489.db2.gz UJXKWAYHYHNXRK-UHFFFAOYSA-N 1 1 440.544 4.341 20 0 IIADMO Fc1ccc(Oc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164707569 719899491 /nfs/dbraw/zinc/89/94/91/719899491.db2.gz UJXKWAYHYHNXRK-UHFFFAOYSA-N 1 1 440.544 4.341 20 0 IIADMO CCc1nc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164707699 719899798 /nfs/dbraw/zinc/89/97/98/719899798.db2.gz VHQUQCDWYWKTJJ-UHFFFAOYSA-N 1 1 427.401 4.279 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164712531 720100727 /nfs/dbraw/zinc/10/07/27/720100727.db2.gz WTMDAFLNVBPGKS-QHCPKHFHSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164709960 720102797 /nfs/dbraw/zinc/10/27/97/720102797.db2.gz DIJHPSXYDDKIRS-QFIPXVFZSA-N 1 1 445.567 4.171 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164711532 720104892 /nfs/dbraw/zinc/10/48/92/720104892.db2.gz QKPWXQSBKPKJTD-GOSISDBHSA-N 1 1 425.964 4.119 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164714901 720110737 /nfs/dbraw/zinc/11/07/37/720110737.db2.gz DUMBHHGMPRXCSU-KRWDZBQOSA-N 1 1 444.004 4.247 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164719096 720114432 /nfs/dbraw/zinc/11/44/32/720114432.db2.gz VYZZAGFVDJJGFM-FQEVSTJZSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164719111 720127022 /nfs/dbraw/zinc/12/70/22/720127022.db2.gz WHCDKLUABNPDTP-HXUWFJFHSA-N 1 1 435.597 4.108 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164716917 720127288 /nfs/dbraw/zinc/12/72/88/720127288.db2.gz LLYMMSDYHPXQMT-QFIPXVFZSA-N 1 1 446.595 4.454 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164809699 720135742 /nfs/dbraw/zinc/13/57/42/720135742.db2.gz IGNREWGLIYUVCY-RXVVDRJESA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811589 720138495 /nfs/dbraw/zinc/13/84/95/720138495.db2.gz MRMSQJYUKKSEDQ-HRAATJIYSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817471 720153707 /nfs/dbraw/zinc/15/37/07/720153707.db2.gz PNWJYUYZHFYTIM-BWKNWUBXSA-N 1 1 442.003 4.499 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001164820253 720167137 /nfs/dbraw/zinc/16/71/37/720167137.db2.gz ZWBFKWFDJRPTOE-CLHVYKLBSA-N 1 1 449.643 4.193 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001164820262 720167504 /nfs/dbraw/zinc/16/75/04/720167504.db2.gz ZWBFKWFDJRPTOE-YRTUYQHASA-N 1 1 449.643 4.193 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817119 720181043 /nfs/dbraw/zinc/18/10/43/720181043.db2.gz OAQWYJMGXGXGHI-GAJHUEQPSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164817122 720181359 /nfs/dbraw/zinc/18/13/59/720181359.db2.gz OAQWYJMGXGXGHI-UZUQRXQVSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C)C2 ZINC001164810305 720198252 /nfs/dbraw/zinc/19/82/52/720198252.db2.gz BRQCBNVJYIMPPI-YADARESESA-N 1 1 442.991 4.415 20 0 IIADMO C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@@]4(CCN(c5ccccc5)C4)C3)c2)CC1 ZINC001164828236 720396080 /nfs/dbraw/zinc/39/60/80/720396080.db2.gz JCMYHSBLGRADRX-XMMPIXPASA-N 1 1 442.554 4.297 20 0 IIADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164834378 720526115 /nfs/dbraw/zinc/52/61/15/720526115.db2.gz FTNMDXVAQHPOLA-JFIYKMOQSA-N 1 1 431.009 4.227 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834999 720539257 /nfs/dbraw/zinc/53/92/57/720539257.db2.gz GOJVQSOZTKDMAB-OHUGHZGNSA-N 1 1 441.583 4.199 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(-c4cccc(Cl)n4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835822 720547143 /nfs/dbraw/zinc/54/71/43/720547143.db2.gz HYXRTFLQVNMNPO-XQBPLPMBSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840745 720571084 /nfs/dbraw/zinc/57/10/84/720571084.db2.gz SRPRATADLFWYMO-SFYKDHMMSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837619 720645066 /nfs/dbraw/zinc/64/50/66/720645066.db2.gz DKMJPEMJEIZQCE-YESZJQIVSA-N 1 1 435.403 4.235 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164842711 720668280 /nfs/dbraw/zinc/66/82/80/720668280.db2.gz TYQTYTXZCNTECG-NRFANRHFSA-N 1 1 449.986 4.452 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164844536 720681669 /nfs/dbraw/zinc/68/16/69/720681669.db2.gz SVKKBHDHKVCAQD-NRFANRHFSA-N 1 1 449.986 4.452 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164843386 720684637 /nfs/dbraw/zinc/68/46/37/720684637.db2.gz PCIHSAJKNAHIPW-IBGZPJMESA-N 1 1 426.992 4.269 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164840414 720707523 /nfs/dbraw/zinc/70/75/23/720707523.db2.gz QNUIHVAMVFVTAC-LJQANCHMSA-N 1 1 439.991 4.434 20 0 IIADMO COC(=O)c1ccc2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164836412 720708494 /nfs/dbraw/zinc/70/84/94/720708494.db2.gz ACFIIPMUOGFPJT-XMMPIXPASA-N 1 1 445.563 4.281 20 0 IIADMO COC(=O)c1cccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc21 ZINC001164836436 720721624 /nfs/dbraw/zinc/72/16/24/720721624.db2.gz AJVIJNJCGDPVRF-OAQYLSRUSA-N 1 1 445.563 4.281 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164845092 720774322 /nfs/dbraw/zinc/77/43/22/720774322.db2.gz DNYUJWPNUQUIBQ-BDTNDASRSA-N 1 1 442.991 4.069 20 0 IIADMO Fc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753370 720873205 /nfs/dbraw/zinc/87/32/05/720873205.db2.gz PENRHTGEVUHFQV-XXBNENTESA-N 1 1 430.955 4.024 20 0 IIADMO Fc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753361 720873594 /nfs/dbraw/zinc/87/35/94/720873594.db2.gz PENRHTGEVUHFQV-AUSIDOKSSA-N 1 1 430.955 4.024 20 0 IIADMO c1ccc2c(c1)ccnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751497 720875259 /nfs/dbraw/zinc/87/52/59/720875259.db2.gz KLBWTGGJTNNZAM-RPLLCQBOSA-N 1 1 428.580 4.385 20 0 IIADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164852998 720875729 /nfs/dbraw/zinc/87/57/29/720875729.db2.gz BCCVSGHIIYSQFQ-HFZDXXHNSA-N 1 1 447.579 4.084 20 0 IIADMO Cc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753988 720878473 /nfs/dbraw/zinc/87/84/73/720878473.db2.gz QQGCZDVBTJGRKV-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164750689 720884671 /nfs/dbraw/zinc/88/46/71/720884671.db2.gz BPOLQNRFJJAOIG-URXFXBBRSA-N 1 1 426.992 4.194 20 0 IIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757462 720885141 /nfs/dbraw/zinc/88/51/41/720885141.db2.gz VBKFUVOTYSLZON-SQHAQQRYSA-N 1 1 432.612 4.111 20 0 IIADMO Cc1cccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164756831 720885477 /nfs/dbraw/zinc/88/54/77/720885477.db2.gz RHWUEKCQOJPVII-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755088 720886160 /nfs/dbraw/zinc/88/61/60/720886160.db2.gz KQCSTJGOIUOLBP-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO F[C@H](c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757907 720889096 /nfs/dbraw/zinc/88/90/96/720889096.db2.gz WJRVPGHMFQTGDQ-NHTMILBNSA-N 1 1 444.982 4.349 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@H]2C ZINC001164854861 720927370 /nfs/dbraw/zinc/92/73/70/720927370.db2.gz GKJOPHGROJNQTK-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CSCc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750127 720929763 /nfs/dbraw/zinc/92/97/63/720929763.db2.gz JGDQUCQOGAKVFZ-NOZRDPDXSA-N 1 1 438.641 4.095 20 0 IIADMO COc1ccc(Cc2c(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164863115 721017576 /nfs/dbraw/zinc/01/75/76/721017576.db2.gz SYRPYQJTEYVXJR-FQEVSTJZSA-N 1 1 448.615 4.311 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771006 721101816 /nfs/dbraw/zinc/10/18/16/721101816.db2.gz QVPINARJVROTDN-RYUDHWBXSA-N 1 1 435.186 4.387 20 0 IIADMO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5C[N@@H+](Cc6cnn(C)c6)CC[C@@H]5C4)c23)cc1 ZINC001164767294 721114531 /nfs/dbraw/zinc/11/45/31/721114531.db2.gz MINJFTBTJONJJG-RTWAWAEBSA-N 1 1 444.608 4.359 20 0 IIADMO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cs1 ZINC001164877029 721149954 /nfs/dbraw/zinc/14/99/54/721149954.db2.gz OARNFTGJGGXRFV-LEWJYISDSA-N 1 1 443.576 4.233 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761643 721156209 /nfs/dbraw/zinc/15/62/09/721156209.db2.gz ABXQCZPRFOXSDD-QZTJIDSGSA-N 1 1 431.918 4.125 20 0 IIADMO Clc1ccc(Cl)c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164872205 721180689 /nfs/dbraw/zinc/18/06/89/721180689.db2.gz GUQOSNHWWCIZFI-SJORKVTESA-N 1 1 429.351 4.416 20 0 IIADMO Fc1ccc(F)c2c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164867865 721191449 /nfs/dbraw/zinc/19/14/49/721191449.db2.gz ITGCIXCODQMQQV-HOTGVXAUSA-N 1 1 430.886 4.041 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772369 721204184 /nfs/dbraw/zinc/20/41/84/721204184.db2.gz TVVTVAGKOSTONY-UYAOXDASSA-N 1 1 430.581 4.050 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759446 721248650 /nfs/dbraw/zinc/24/86/50/721248650.db2.gz AJGPTADYBIQKNA-ZWKOTPCHSA-N 1 1 449.977 4.241 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164877541 721327929 /nfs/dbraw/zinc/32/79/29/721327929.db2.gz VKVSUJIPTLIUOM-UHFFFAOYSA-N 1 1 439.869 4.115 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778858 721332866 /nfs/dbraw/zinc/33/28/66/721332866.db2.gz ZJCZSEASZZAMSV-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778858 721332867 /nfs/dbraw/zinc/33/28/67/721332867.db2.gz ZJCZSEASZZAMSV-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777337 721332885 /nfs/dbraw/zinc/33/28/85/721332885.db2.gz MAYWAEOFKGLPIL-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777337 721332887 /nfs/dbraw/zinc/33/28/87/721332887.db2.gz MAYWAEOFKGLPIL-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777428 721352147 /nfs/dbraw/zinc/35/21/47/721352147.db2.gz GYPUUNPVCXSZOD-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164789194 721401848 /nfs/dbraw/zinc/40/18/48/721401848.db2.gz UCHOHGSEBMNCNY-HZPDHXFCSA-N 1 1 447.942 4.367 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164789590 721433475 /nfs/dbraw/zinc/43/34/75/721433475.db2.gz VUDIKMKNFZXQRO-HOTGVXAUSA-N 1 1 447.942 4.367 20 0 IIADMO Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccc(C[N@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785067 721444887 /nfs/dbraw/zinc/44/48/87/721444887.db2.gz RLGMVRKJSLQYTB-YKSBVNFPSA-N 1 1 442.629 4.033 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164787802 721453053 /nfs/dbraw/zinc/45/30/53/721453053.db2.gz QPXGQQPGWRNHPK-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164786914 721454765 /nfs/dbraw/zinc/45/47/65/721454765.db2.gz OQRDWMIYJRRLRP-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164790078 721461453 /nfs/dbraw/zinc/46/14/53/721461453.db2.gz ZOSFIDHOUVEFFG-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164784960 721462498 /nfs/dbraw/zinc/46/24/98/721462498.db2.gz LAZKBEXLLZGUBL-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164889716 721470461 /nfs/dbraw/zinc/47/04/61/721470461.db2.gz IDZUFTZIMCQUCS-QPPBQGQZSA-N 1 1 446.599 4.073 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164901989 721491236 /nfs/dbraw/zinc/49/12/36/721491236.db2.gz XWSVFRHSIXKCHW-GMAHTHKFSA-N 1 1 440.632 4.063 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164792501 721494526 /nfs/dbraw/zinc/49/45/26/721494526.db2.gz PUXOESDJKZRPHX-UHFFFAOYSA-N 1 1 436.934 4.478 20 0 IIADMO COC(=O)c1ccc2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164795453 721499231 /nfs/dbraw/zinc/49/92/31/721499231.db2.gz HLJGAVISDUOKFS-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164796402 721501322 /nfs/dbraw/zinc/50/13/22/721501322.db2.gz UUEKSXUXPIKVKB-UHFFFAOYSA-N 1 1 446.933 4.432 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@H+]3C2)c1 ZINC001164907138 721541667 /nfs/dbraw/zinc/54/16/67/721541667.db2.gz MGHPCJDWMMWTOT-IEBWSBKVSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164803034 721553250 /nfs/dbraw/zinc/55/32/50/721553250.db2.gz HLVGJNRCQWZGFT-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164803034 721553253 /nfs/dbraw/zinc/55/32/53/721553253.db2.gz HLVGJNRCQWZGFT-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164909170 721555217 /nfs/dbraw/zinc/55/52/17/721555217.db2.gz SHJXZPOTTVHNEB-NVXWUHKLSA-N 1 1 438.881 4.033 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805428 721557240 /nfs/dbraw/zinc/55/72/40/721557240.db2.gz NUSCRHWFIQIOBG-RKVPGOIHSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805428 721557242 /nfs/dbraw/zinc/55/72/42/721557242.db2.gz NUSCRHWFIQIOBG-RKVPGOIHSA-N 1 1 427.763 4.305 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164905417 721559263 /nfs/dbraw/zinc/55/92/63/721559263.db2.gz HGNBWSVISNLSGL-MJGOQNOKSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164908662 721565765 /nfs/dbraw/zinc/56/57/65/721565765.db2.gz RLKUTPIEGXJJLY-FPOVZHCZSA-N 1 1 436.556 4.250 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808321 721581720 /nfs/dbraw/zinc/58/17/20/721581720.db2.gz QKVHCWPOONYGRU-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808321 721581721 /nfs/dbraw/zinc/58/17/21/721581721.db2.gz QKVHCWPOONYGRU-WMTXJRDZSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164806195 721591369 /nfs/dbraw/zinc/59/13/69/721591369.db2.gz MGGOQULJVQIKQB-SBHAEUEKSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164806195 721591372 /nfs/dbraw/zinc/59/13/72/721591372.db2.gz MGGOQULJVQIKQB-SBHAEUEKSA-N 1 1 448.945 4.118 20 0 IIADMO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)c1 ZINC001164800702 721601690 /nfs/dbraw/zinc/60/16/90/721601690.db2.gz MPXPUBMJVSAXIG-BKMJKUGQSA-N 1 1 436.600 4.081 20 0 IIADMO FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905504 721711194 /nfs/dbraw/zinc/71/11/94/721711194.db2.gz GZRPXGWHFHLWEX-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913142 721726804 /nfs/dbraw/zinc/72/68/04/721726804.db2.gz UJILRRKVRDLPKU-NRFANRHFSA-N 1 1 433.934 4.449 20 0 IIADMO FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910574 721735471 /nfs/dbraw/zinc/73/54/71/721735471.db2.gz GLTODQAKQVLDBZ-GOSISDBHSA-N 1 1 444.860 4.292 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164910018 721748149 /nfs/dbraw/zinc/74/81/49/721748149.db2.gz YEIFHWHIILSMRC-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164910018 721748156 /nfs/dbraw/zinc/74/81/56/721748156.db2.gz YEIFHWHIILSMRC-UHFFFAOYSA-N 1 1 441.535 4.238 20 0 IIADMO COc1ccc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)n1 ZINC001164909617 721753302 /nfs/dbraw/zinc/75/33/02/721753302.db2.gz JZRZSFYBXCCYNU-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO COc1ccc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)n1 ZINC001164909617 721753308 /nfs/dbraw/zinc/75/33/08/721753308.db2.gz JZRZSFYBXCCYNU-UHFFFAOYSA-N 1 1 448.901 4.471 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911268 721757916 /nfs/dbraw/zinc/75/79/16/721757916.db2.gz UWYNHOCSDWYNPY-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911268 721757921 /nfs/dbraw/zinc/75/79/21/721757921.db2.gz UWYNHOCSDWYNPY-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164910690 721760097 /nfs/dbraw/zinc/76/00/97/721760097.db2.gz QAIVOHJSUAUBPT-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164910690 721760099 /nfs/dbraw/zinc/76/00/99/721760099.db2.gz QAIVOHJSUAUBPT-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020275 721799573 /nfs/dbraw/zinc/79/95/73/721799573.db2.gz DVAWBTKPPWPBSO-DBVUQKKJSA-N 1 1 428.964 4.044 20 0 IIADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1Cl ZINC001165022116 721802278 /nfs/dbraw/zinc/80/22/78/721802278.db2.gz HZNZMZWJZPHPBY-NBHGPNQESA-N 1 1 428.964 4.044 20 0 IIADMO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1Cl ZINC001165022118 721802358 /nfs/dbraw/zinc/80/23/58/721802358.db2.gz HZNZMZWJZPHPBY-SCWSEQNSSA-N 1 1 428.964 4.044 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]21 ZINC001165023384 721803792 /nfs/dbraw/zinc/80/37/92/721803792.db2.gz JSKNBONLKNFBAS-STZQEDGTSA-N 1 1 434.975 4.324 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165025908 721809341 /nfs/dbraw/zinc/80/93/41/721809341.db2.gz ODYNQTNVCMHZNJ-ZTCOLXNVSA-N 1 1 430.552 4.153 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028229 721811512 /nfs/dbraw/zinc/81/15/12/721811512.db2.gz WSENLEGRKPHJDZ-IOMROCGXSA-N 1 1 442.991 4.352 20 0 IIADMO COc1cc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165022743 721812882 /nfs/dbraw/zinc/81/28/82/721812882.db2.gz GZNVABMZRVHLJK-ZEYPLWLESA-N 1 1 447.583 4.087 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165026082 721820393 /nfs/dbraw/zinc/82/03/93/721820393.db2.gz PDHHJUMFLSBCBT-BBVWWWHTSA-N 1 1 442.611 4.342 20 0 IIADMO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027060 721822139 /nfs/dbraw/zinc/82/21/39/721822139.db2.gz RLRAZSKXMBOAFM-OYDLWJJNSA-N 1 1 430.552 4.153 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2)C1 ZINC001165027042 721823485 /nfs/dbraw/zinc/82/34/85/721823485.db2.gz RFBUPNQLBANWMX-VQPAQMSKSA-N 1 1 447.627 4.086 20 0 IIADMO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165025223 721824357 /nfs/dbraw/zinc/82/43/57/721824357.db2.gz MGJFADONTKJYGM-QUURXOELSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165026133 721825582 /nfs/dbraw/zinc/82/55/82/721825582.db2.gz OFEQIUFAMBTSAY-NGYIFUPDSA-N 1 1 429.568 4.284 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027527 721825898 /nfs/dbraw/zinc/82/58/98/721825898.db2.gz SMVXCBFXXMIRLX-TZYHBYERSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027527 721825899 /nfs/dbraw/zinc/82/58/99/721825899.db2.gz SMVXCBFXXMIRLX-TZYHBYERSA-N 1 1 432.568 4.384 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@@H]21 ZINC001165029480 721828120 /nfs/dbraw/zinc/82/81/20/721828120.db2.gz WXVRYIMJVWERCX-GRYUFTJMSA-N 1 1 440.595 4.159 20 0 IIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc2Cl)cc1 ZINC001165045041 721922189 /nfs/dbraw/zinc/92/21/89/721922189.db2.gz YKMSTMSFLAPYEB-GOSISDBHSA-N 1 1 425.882 4.387 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)n2)c1 ZINC001164940649 721929018 /nfs/dbraw/zinc/92/90/18/721929018.db2.gz VKQMFRFDLHVQIB-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO COc1ccccc1-c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164940709 721931361 /nfs/dbraw/zinc/93/13/61/721931361.db2.gz XZQVTFFDJCQVCD-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952160 722015606 /nfs/dbraw/zinc/01/56/06/722015606.db2.gz IFYMLGAHWLDHKG-UHFFFAOYSA-N 1 1 428.964 4.108 20 0 IIADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1)C1CC1 ZINC001164955839 722021421 /nfs/dbraw/zinc/02/14/21/722021421.db2.gz OSRVXVHHTMZWTG-HSZRJFAPSA-N 1 1 434.584 4.026 20 0 IIADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001164964837 722054304 /nfs/dbraw/zinc/05/43/04/722054304.db2.gz YICYGOOHQRAUJN-UHFFFAOYSA-N 1 1 444.004 4.167 20 0 IIADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963296 722059312 /nfs/dbraw/zinc/05/93/12/722059312.db2.gz VVUJMJWBDFTKEO-UHFFFAOYSA-N 1 1 444.023 4.250 20 0 IIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985258 722101579 /nfs/dbraw/zinc/10/15/79/722101579.db2.gz VUCLJFFBPZJSFZ-QAPCUYQASA-N 1 1 443.325 4.056 20 0 IIADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)no1 ZINC001164995394 722207688 /nfs/dbraw/zinc/20/76/88/722207688.db2.gz NMTJNJVMUSUGTJ-XMMPIXPASA-N 1 1 435.503 4.014 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164407587 718858364 /nfs/dbraw/zinc/85/83/64/718858364.db2.gz YZEZLNZTOWJIDU-ZWKOTPCHSA-N 1 1 433.581 4.076 20 0 IIADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164424761 718928185 /nfs/dbraw/zinc/92/81/85/718928185.db2.gz PISIPHGDUIBFNX-HOTGVXAUSA-N 1 1 434.556 4.026 20 0 IIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618471 719077514 /nfs/dbraw/zinc/07/75/14/719077514.db2.gz AQBOBJIXIOOIQD-IRXDYDNUSA-N 1 1 447.004 4.129 20 0 IIADMO CCOC(Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OCC ZINC001164619194 719078738 /nfs/dbraw/zinc/07/87/38/719078738.db2.gz CJOHUIMUFLNDCM-FPOVZHCZSA-N 1 1 445.007 4.172 20 0 IIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629637 719083400 /nfs/dbraw/zinc/08/34/00/719083400.db2.gz YIJIAFPYLMNHAZ-TZIWHRDSSA-N 1 1 426.992 4.318 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)nc1 ZINC001164650532 719295502 /nfs/dbraw/zinc/29/55/02/719295502.db2.gz IONSTFSVFBIDKI-GWZVJQKXSA-N 1 1 436.600 4.367 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4ccc(F)cc42)CC3)cc1 ZINC001164673746 719496373 /nfs/dbraw/zinc/49/63/73/719496373.db2.gz RALPPMBXZLCIAF-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4ccc(F)cc42)CC3)cc1 ZINC001164673746 719496381 /nfs/dbraw/zinc/49/63/81/719496381.db2.gz RALPPMBXZLCIAF-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4cc(Cl)ccc42)CC3)cc1 ZINC001164672160 719503026 /nfs/dbraw/zinc/50/30/26/719503026.db2.gz GHOKQJMXKCGLDD-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4cc(Cl)ccc42)CC3)cc1 ZINC001164672160 719503031 /nfs/dbraw/zinc/50/30/31/719503031.db2.gz GHOKQJMXKCGLDD-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO CSc1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164677889 719530461 /nfs/dbraw/zinc/53/04/61/719530461.db2.gz HYMPUKFANKXWPV-UHFFFAOYSA-N 1 1 438.572 4.362 20 0 IIADMO CSc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164677889 719530463 /nfs/dbraw/zinc/53/04/63/719530463.db2.gz HYMPUKFANKXWPV-UHFFFAOYSA-N 1 1 438.572 4.362 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)cs1 ZINC001164693096 719815361 /nfs/dbraw/zinc/81/53/61/719815361.db2.gz ULEAZELNATXHTI-UHFFFAOYSA-N 1 1 446.624 4.427 20 0 IIADMO CCCSc1ncnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1OC ZINC001164700674 719816283 /nfs/dbraw/zinc/81/62/83/719816283.db2.gz LHHZPSZQQXFJKY-UHFFFAOYSA-N 1 1 433.647 4.387 20 0 IIADMO Fc1cccc(Oc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164699027 719896345 /nfs/dbraw/zinc/89/63/45/719896345.db2.gz VUQOCZKLVIBXOY-UHFFFAOYSA-N 1 1 440.544 4.341 20 0 IIADMO Fc1cccc(Oc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164699027 719896347 /nfs/dbraw/zinc/89/63/47/719896347.db2.gz VUQOCZKLVIBXOY-UHFFFAOYSA-N 1 1 440.544 4.341 20 0 IIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)c1 ZINC001164698971 719897976 /nfs/dbraw/zinc/89/79/76/719897976.db2.gz UYKZVEFWLFLHCE-UHFFFAOYSA-N 1 1 426.611 4.113 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810440 720101960 /nfs/dbraw/zinc/10/19/60/720101960.db2.gz JTDNWVQTMODSNH-AMGIVPHBSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164813911 720110262 /nfs/dbraw/zinc/11/02/62/720110262.db2.gz RPIUFLGVZYIMBC-WXVAWEFUSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164718066 720111351 /nfs/dbraw/zinc/11/13/51/720111351.db2.gz RJRAJZCSKBDCOF-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164714032 720144930 /nfs/dbraw/zinc/14/49/30/720144930.db2.gz VLLUTLYOHOIXLU-HXUWFJFHSA-N 1 1 435.597 4.108 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164711119 720153299 /nfs/dbraw/zinc/15/32/99/720153299.db2.gz FMWULYLRNUBSSH-LJQANCHMSA-N 1 1 429.996 4.156 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164817394 720157195 /nfs/dbraw/zinc/15/71/95/720157195.db2.gz PFSVUSVUNLVYHB-DNVCBOLYSA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819050 720175065 /nfs/dbraw/zinc/17/50/65/720175065.db2.gz VSRAIEQAPCPTFM-RDPSFJRHSA-N 1 1 426.992 4.290 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819052 720176162 /nfs/dbraw/zinc/17/61/62/720176162.db2.gz VSRAIEQAPCPTFM-YKSBVNFPSA-N 1 1 426.992 4.290 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164818226 720180704 /nfs/dbraw/zinc/18/07/04/720180704.db2.gz SHXXLGYIFFXSOO-MBSDFSHPSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812382 720191234 /nfs/dbraw/zinc/19/12/34/720191234.db2.gz ACLCCZNQTJWDPS-NYHFZMIOSA-N 1 1 436.934 4.406 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813485 720197742 /nfs/dbraw/zinc/19/77/42/720197742.db2.gz QAGVLRSPCZFWIY-UZUQRXQVSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810789 720198234 /nfs/dbraw/zinc/19/82/34/720198234.db2.gz CPNISAWEXRPCCG-NTKDMRAZSA-N 1 1 442.991 4.415 20 0 IIADMO Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821740 720389857 /nfs/dbraw/zinc/38/98/57/720389857.db2.gz ILTHLGQBMDWOGA-SBHAEUEKSA-N 1 1 449.020 4.049 20 0 IIADMO Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821742 720389923 /nfs/dbraw/zinc/38/99/23/720389923.db2.gz ILTHLGQBMDWOGA-SFHLNBCPSA-N 1 1 449.020 4.049 20 0 IIADMO O[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]1Cc1ccccc1 ZINC001164830403 720491641 /nfs/dbraw/zinc/49/16/41/720491641.db2.gz BJPBHLPVDCKEHK-RTWAWAEBSA-N 1 1 448.636 4.348 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839622 720542314 /nfs/dbraw/zinc/54/23/14/720542314.db2.gz QWPFUXIAYLBMLL-JBYIUTFZSA-N 1 1 439.991 4.471 20 0 IIADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838594 720545257 /nfs/dbraw/zinc/54/52/57/720545257.db2.gz ORRAOUGBRGHMIK-LQBOVUBWSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840742 720568048 /nfs/dbraw/zinc/56/80/48/720568048.db2.gz SRPRATADLFWYMO-SELNLUPBSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836810 720633581 /nfs/dbraw/zinc/63/35/81/720633581.db2.gz GYHOCEMWAOFMAW-OXFYSEKESA-N 1 1 444.505 4.281 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164841753 720672425 /nfs/dbraw/zinc/67/24/25/720672425.db2.gz PVNUPAWRKJDHBC-IBGZPJMESA-N 1 1 426.992 4.269 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164844491 720680922 /nfs/dbraw/zinc/68/09/22/720680922.db2.gz SJQQNDOFXFOEAO-QGZVFWFLSA-N 1 1 431.005 4.038 20 0 IIADMO CCOC(=O)c1c(C)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164839938 720697793 /nfs/dbraw/zinc/69/77/93/720697793.db2.gz CYLDVZZXMWACTD-QFIPXVFZSA-N 1 1 437.584 4.135 20 0 IIADMO COc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(C)nc2c1 ZINC001164841641 720716827 /nfs/dbraw/zinc/71/68/27/720716827.db2.gz VFUHZURGAISNJU-OAQYLSRUSA-N 1 1 432.568 4.207 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164837904 720729096 /nfs/dbraw/zinc/72/90/96/720729096.db2.gz OIBVHDWDTWXYEN-OAQYLSRUSA-N 1 1 431.584 4.485 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCC[C@]12CCC(=O)N2 ZINC001164844688 720756211 /nfs/dbraw/zinc/75/62/11/720756211.db2.gz CLIIIYMSRVOFQE-CLOONOSVSA-N 1 1 449.624 4.448 20 0 IIADMO COC[C@]12CCC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164844628 720792080 /nfs/dbraw/zinc/79/20/80/720792080.db2.gz CKEDMQIOWGKETQ-BXKMTCNYSA-N 1 1 426.630 4.419 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164744581 720819064 /nfs/dbraw/zinc/81/90/64/720819064.db2.gz VHVYFIUQBQAZKH-IJEWVQPXSA-N 1 1 441.794 4.013 20 0 IIADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164851029 720827815 /nfs/dbraw/zinc/82/78/15/720827815.db2.gz WEWDSJSJDYJATE-YADARESESA-N 1 1 444.645 4.316 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742959 720840981 /nfs/dbraw/zinc/84/09/81/720840981.db2.gz HOWMMARTIWGPOS-CNNODRBYSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1C ZINC001164745781 720849870 /nfs/dbraw/zinc/84/98/70/720849870.db2.gz NJWZEDAMRODZLE-WPFOTENUSA-N 1 1 430.600 4.131 20 0 IIADMO Cc1csc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164752245 720869614 /nfs/dbraw/zinc/86/96/14/720869614.db2.gz MJMYNKVBQVDSHG-BWKNWUBXSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751682 720871940 /nfs/dbraw/zinc/87/19/40/720871940.db2.gz LWPDTEICPXOIBZ-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO Fc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750763 720879323 /nfs/dbraw/zinc/87/93/23/720879323.db2.gz JRSMLOHDQPCTQP-CVDCTZTESA-N 1 1 430.955 4.024 20 0 IIADMO CSc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164747179 720906259 /nfs/dbraw/zinc/90/62/59/720906259.db2.gz BZALKGXSNDVNCY-RCZVLFRGSA-N 1 1 438.641 4.262 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@H]2C ZINC001164857198 721006589 /nfs/dbraw/zinc/00/65/89/721006589.db2.gz DAASVDXJSXWOCI-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771192 721056093 /nfs/dbraw/zinc/05/60/93/721056093.db2.gz LXARDIPFBUQSDI-WXFUMESZSA-N 1 1 433.600 4.102 20 0 IIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865533 721077468 /nfs/dbraw/zinc/07/74/68/721077468.db2.gz MLSXUSGZMNFOJV-WOJBJXKFSA-N 1 1 444.913 4.308 20 0 IIADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879453 721166757 /nfs/dbraw/zinc/16/67/57/721166757.db2.gz SGNQNCCRFZUMHW-VQTJNVASSA-N 1 1 444.913 4.308 20 0 IIADMO Clc1ccc(Cl)c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc12 ZINC001164872201 721181278 /nfs/dbraw/zinc/18/12/78/721181278.db2.gz GUQOSNHWWCIZFI-IAGOWNOFSA-N 1 1 429.351 4.416 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164878847 721259953 /nfs/dbraw/zinc/25/99/53/721259953.db2.gz VTMMUMUSWGULBI-GBXCKJPGSA-N 1 1 427.976 4.414 20 0 IIADMO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164777682 721326547 /nfs/dbraw/zinc/32/65/47/721326547.db2.gz PFDIWTJHGZSDFP-GOSISDBHSA-N 1 1 446.954 4.072 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164777069 721333209 /nfs/dbraw/zinc/33/32/09/721333209.db2.gz LVCMVHISWAWAQA-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164777069 721333214 /nfs/dbraw/zinc/33/32/14/721333214.db2.gz LVCMVHISWAWAQA-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc(Cl)cc43)C2)C1 ZINC001164780028 721339752 /nfs/dbraw/zinc/33/97/52/721339752.db2.gz YOLIUXDUASXINC-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164779040 721353662 /nfs/dbraw/zinc/35/36/62/721353662.db2.gz PJXWSPOSYGYFDB-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164779040 721353666 /nfs/dbraw/zinc/35/36/66/721353666.db2.gz PJXWSPOSYGYFDB-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO O=C1C[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884700 721354876 /nfs/dbraw/zinc/35/48/76/721354876.db2.gz WGJCKXQCOUIKOX-XZOQPEGZSA-N 1 1 430.577 4.086 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1 ZINC001164787744 721355844 /nfs/dbraw/zinc/35/58/44/721355844.db2.gz ZQBJFQDADJIOJF-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1 ZINC001164787744 721355849 /nfs/dbraw/zinc/35/58/49/721355849.db2.gz ZQBJFQDADJIOJF-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cl)cc3Cl)C2)C1 ZINC001164786026 721362909 /nfs/dbraw/zinc/36/29/09/721362909.db2.gz UNAYBSYLRSYGNR-OAQYLSRUSA-N 1 1 439.387 4.421 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cl)cc3Cl)C2)C1 ZINC001164786026 721362912 /nfs/dbraw/zinc/36/29/12/721362912.db2.gz UNAYBSYLRSYGNR-OAQYLSRUSA-N 1 1 439.387 4.421 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3C)C2)C1 ZINC001164786111 721363385 /nfs/dbraw/zinc/36/33/85/721363385.db2.gz WGIREJZHKTXSHH-NRFANRHFSA-N 1 1 439.387 4.421 20 0 IIADMO CSc1cc(Cl)cnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164784369 721363665 /nfs/dbraw/zinc/36/36/65/721363665.db2.gz RKSHSGMJVJVDIP-NRFANRHFSA-N 1 1 437.009 4.181 20 0 IIADMO CSc1cc(Cl)cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164784369 721363672 /nfs/dbraw/zinc/36/36/72/721363672.db2.gz RKSHSGMJVJVDIP-NRFANRHFSA-N 1 1 437.009 4.181 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)C1 ZINC001164780906 721364995 /nfs/dbraw/zinc/36/49/95/721364995.db2.gz IRCKLGZVRSJITP-AREMUKBSSA-N 1 1 447.583 4.176 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)C1 ZINC001164780906 721365000 /nfs/dbraw/zinc/36/50/00/721365000.db2.gz IRCKLGZVRSJITP-AREMUKBSSA-N 1 1 447.583 4.176 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790845 721425292 /nfs/dbraw/zinc/42/52/92/721425292.db2.gz YIOFNXWTGNVLGJ-HUUCEWRRSA-N 1 1 442.972 4.090 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164791021 721425663 /nfs/dbraw/zinc/42/56/63/721425663.db2.gz ZANXYLKTSLNXQH-QYZOEREBSA-N 1 1 434.613 4.033 20 0 IIADMO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786607 721431479 /nfs/dbraw/zinc/43/14/79/721431479.db2.gz PDGXZVGOYNHLKU-KDURUIRLSA-N 1 1 443.576 4.330 20 0 IIADMO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786607 721431482 /nfs/dbraw/zinc/43/14/82/721431482.db2.gz PDGXZVGOYNHLKU-KDURUIRLSA-N 1 1 443.576 4.330 20 0 IIADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164785530 721433361 /nfs/dbraw/zinc/43/33/61/721433361.db2.gz NNAAHWQNOWRTOB-SFTDATJTSA-N 1 1 446.624 4.159 20 0 IIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784210 721437106 /nfs/dbraw/zinc/43/71/06/721437106.db2.gz KVIGBYPMQFSHAM-HZPDHXFCSA-N 1 1 427.961 4.255 20 0 IIADMO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccc(C[N@H+](C)C4CC4)cn2)CCO3)cs1 ZINC001164785049 721444994 /nfs/dbraw/zinc/44/49/94/721444994.db2.gz RLGMVRKJSLQYTB-GBXCKJPGSA-N 1 1 442.629 4.033 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884329 721447060 /nfs/dbraw/zinc/44/70/60/721447060.db2.gz ASCGMSYXRFHVQH-FDDCHVKYSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164787796 721453532 /nfs/dbraw/zinc/45/35/32/721453532.db2.gz QPXGQQPGWRNHPK-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164793820 721491414 /nfs/dbraw/zinc/49/14/14/721491414.db2.gz XOHUBKMYJAHHPC-UHFFFAOYSA-N 1 1 434.975 4.468 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792309 721493981 /nfs/dbraw/zinc/49/39/81/721493981.db2.gz NWUFXRGQIUXDQX-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164796356 721502431 /nfs/dbraw/zinc/50/24/31/721502431.db2.gz RBALVXSNBJWVPO-UHFFFAOYSA-N 1 1 428.584 4.431 20 0 IIADMO CCCSc1ncnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164796002 721503782 /nfs/dbraw/zinc/50/37/82/721503782.db2.gz PLTOECFUNJSFED-UHFFFAOYSA-N 1 1 427.618 4.263 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CC[N@H+]3C2)c1 ZINC001164908148 721528888 /nfs/dbraw/zinc/52/88/88/721528888.db2.gz PCNBLLASWALOSG-ZFWWWQNUSA-N 1 1 434.849 4.042 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810586 721529302 /nfs/dbraw/zinc/52/93/02/721529302.db2.gz XHPPJAHDIUQPHD-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810586 721529307 /nfs/dbraw/zinc/52/93/07/721529307.db2.gz XHPPJAHDIUQPHD-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810571 721529346 /nfs/dbraw/zinc/52/93/46/721529346.db2.gz XHPPJAHDIUQPHD-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810571 721529350 /nfs/dbraw/zinc/52/93/50/721529350.db2.gz XHPPJAHDIUQPHD-JZXOWHBKSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164806120 721533297 /nfs/dbraw/zinc/53/32/97/721533297.db2.gz OBWDGYGZVCDXDP-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164806120 721533300 /nfs/dbraw/zinc/53/33/00/721533300.db2.gz OBWDGYGZVCDXDP-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164905412 721559122 /nfs/dbraw/zinc/55/91/22/721559122.db2.gz HGNBWSVISNLSGL-HKUYNNGSSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164910322 721560943 /nfs/dbraw/zinc/56/09/43/721560943.db2.gz WHDCVOPWRZMAFA-RDJZCZTQSA-N 1 1 433.314 4.418 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800409 721569035 /nfs/dbraw/zinc/56/90/35/721569035.db2.gz FLJOHTJCFFVWOV-NJYVYQBISA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800409 721569037 /nfs/dbraw/zinc/56/90/37/721569037.db2.gz FLJOHTJCFFVWOV-NJYVYQBISA-N 1 1 444.366 4.200 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805435 721576388 /nfs/dbraw/zinc/57/63/88/721576388.db2.gz NVHNCCPKOUDWKR-SFYKDHMMSA-N 1 1 449.624 4.006 20 0 IIADMO CCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805435 721576390 /nfs/dbraw/zinc/57/63/90/721576390.db2.gz NVHNCCPKOUDWKR-SFYKDHMMSA-N 1 1 449.624 4.006 20 0 IIADMO Cc1sc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908345 721586847 /nfs/dbraw/zinc/58/68/47/721586847.db2.gz YKGGAAITKFXFAX-OAQYLSRUSA-N 1 1 429.540 4.441 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164800055 721590633 /nfs/dbraw/zinc/59/06/33/721590633.db2.gz BKTUCLNFQZKZQS-UEXGIBASSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164800055 721590634 /nfs/dbraw/zinc/59/06/34/721590634.db2.gz BKTUCLNFQZKZQS-UEXGIBASSA-N 1 1 444.366 4.200 20 0 IIADMO FC1(F)CCN(c2nccc3cc(Cl)ncc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904770 721696546 /nfs/dbraw/zinc/69/65/46/721696546.db2.gz GIWGCOSDRRMMRZ-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO CSc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913841 721734788 /nfs/dbraw/zinc/73/47/88/721734788.db2.gz YVWQRXYGUSMBBF-JOCHJYFZSA-N 1 1 441.551 4.484 20 0 IIADMO CSc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912685 721736705 /nfs/dbraw/zinc/73/67/05/721736705.db2.gz PKJKVLBPJMSLTI-IBGZPJMESA-N 1 1 437.585 4.053 20 0 IIADMO CCCSc1ncnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164913111 721737170 /nfs/dbraw/zinc/73/71/70/721737170.db2.gz SZTDITNSLADHGH-NRFANRHFSA-N 1 1 449.571 4.120 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164910005 721750708 /nfs/dbraw/zinc/75/07/08/721750708.db2.gz XMICFVVCPCLMNZ-UHFFFAOYSA-N 1 1 439.947 4.078 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164910005 721750713 /nfs/dbraw/zinc/75/07/13/721750713.db2.gz XMICFVVCPCLMNZ-UHFFFAOYSA-N 1 1 439.947 4.078 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164909006 721753214 /nfs/dbraw/zinc/75/32/14/721753214.db2.gz BWWQNHQQVLJIGQ-UHFFFAOYSA-N 1 1 448.901 4.385 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164909006 721753217 /nfs/dbraw/zinc/75/32/17/721753217.db2.gz BWWQNHQQVLJIGQ-UHFFFAOYSA-N 1 1 448.901 4.385 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(N3CCCCCC3)n1)C2 ZINC001164912215 721763716 /nfs/dbraw/zinc/76/37/16/721763716.db2.gz VNIQSSCYRZQQQW-UHFFFAOYSA-N 1 1 432.572 4.040 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(N3CCCCCC3)n1)C2 ZINC001164912215 721763717 /nfs/dbraw/zinc/76/37/17/721763717.db2.gz VNIQSSCYRZQQQW-UHFFFAOYSA-N 1 1 432.572 4.040 20 0 IIADMO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001165027308 721802268 /nfs/dbraw/zinc/80/22/68/721802268.db2.gz VLIXZNKCKKUIMZ-FTBPSBKWSA-N 1 1 443.595 4.422 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@H]21 ZINC001165025804 721804983 /nfs/dbraw/zinc/80/49/83/721804983.db2.gz PFELISZSOLDGGG-GMKZXUHWSA-N 1 1 429.568 4.188 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001165025396 721808102 /nfs/dbraw/zinc/80/81/02/721808102.db2.gz NXXTULQXWLMTSR-CEWLAPEOSA-N 1 1 434.975 4.324 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165025902 721808963 /nfs/dbraw/zinc/80/89/63/721808963.db2.gz ODYNQTNVCMHZNJ-NKKJXINNSA-N 1 1 430.552 4.153 20 0 IIADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1)C1CC1 ZINC001165018871 721822487 /nfs/dbraw/zinc/82/24/87/721822487.db2.gz AOLZKMFUBHKVNH-LFBFJMOVSA-N 1 1 448.611 4.270 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001165025738 721824590 /nfs/dbraw/zinc/82/45/90/721824590.db2.gz NOTOHVMHVDJTJJ-QKYXUNIQSA-N 1 1 447.961 4.296 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027525 721825877 /nfs/dbraw/zinc/82/58/77/721825877.db2.gz SMVXCBFXXMIRLX-OFAXGOBFSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027525 721825878 /nfs/dbraw/zinc/82/58/78/721825878.db2.gz SMVXCBFXXMIRLX-OFAXGOBFSA-N 1 1 432.568 4.384 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931233 721856162 /nfs/dbraw/zinc/85/61/62/721856162.db2.gz UJSRPRKFZBQDGA-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931233 721856165 /nfs/dbraw/zinc/85/61/65/721856165.db2.gz UJSRPRKFZBQDGA-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927152 721856375 /nfs/dbraw/zinc/85/63/75/721856375.db2.gz JNZGMEMPSNQWST-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164927152 721856378 /nfs/dbraw/zinc/85/63/78/721856378.db2.gz JNZGMEMPSNQWST-YADHBBJMSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927444 721864254 /nfs/dbraw/zinc/86/42/54/721864254.db2.gz VRDVCLZTFWRFBP-YADHBBJMSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164927444 721864256 /nfs/dbraw/zinc/86/42/56/721864256.db2.gz VRDVCLZTFWRFBP-YADHBBJMSA-N 1 1 449.002 4.074 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933018 721885760 /nfs/dbraw/zinc/88/57/60/721885760.db2.gz KVGKIPUPECEKDS-DQEYMECFSA-N 1 1 429.568 4.151 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933018 721885761 /nfs/dbraw/zinc/88/57/61/721885761.db2.gz KVGKIPUPECEKDS-DQEYMECFSA-N 1 1 429.568 4.151 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164938893 721925461 /nfs/dbraw/zinc/92/54/61/721925461.db2.gz AAJWTPDFUCFJIP-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO COC(=O)c1ccc2cc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ncc2c1 ZINC001164940194 721930550 /nfs/dbraw/zinc/93/05/50/721930550.db2.gz RMVJOWSFNHCKDK-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C4)OCCO5)c23)c1 ZINC001165047786 721985706 /nfs/dbraw/zinc/98/57/06/721985706.db2.gz PWTOQYYNFYGRCX-UHFFFAOYSA-N 1 1 442.610 4.359 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)c2c1C ZINC001165052052 721993652 /nfs/dbraw/zinc/99/36/52/721993652.db2.gz QDERHCPNELEJML-QGZVFWFLSA-N 1 1 430.618 4.462 20 0 IIADMO CCOC(=O)c1cc2c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164956193 722019481 /nfs/dbraw/zinc/01/94/81/722019481.db2.gz XUSGKEBCQNQYKP-UHFFFAOYSA-N 1 1 447.583 4.244 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963077 722056110 /nfs/dbraw/zinc/05/61/10/722056110.db2.gz HAPMOMUTPZAMJI-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960710 722057824 /nfs/dbraw/zinc/05/78/24/722057824.db2.gz IPLIFESHLTYSFI-UHFFFAOYSA-N 1 1 443.551 4.198 20 0 IIADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976372 722116675 /nfs/dbraw/zinc/11/66/75/722116675.db2.gz LMCAVLOAYCXJFY-OXJNMPFZSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1ccc(F)c2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975319 722156950 /nfs/dbraw/zinc/15/69/50/722156950.db2.gz SHSCPZJOKWWIDQ-JXFKEZNVSA-N 1 1 444.913 4.289 20 0 IIADMO CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995733 722197081 /nfs/dbraw/zinc/19/70/81/722197081.db2.gz XKSQLEUSAUHEIR-QHCPKHFHSA-N 1 1 427.524 4.208 20 0 IIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995937 722207843 /nfs/dbraw/zinc/20/78/43/722207843.db2.gz QEPMOLQBYVHOHS-FNZWTVRRSA-N 1 1 436.575 4.338 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164995971 722207987 /nfs/dbraw/zinc/20/79/87/722207987.db2.gz QSFMLDHBOWRCSP-AREMUKBSSA-N 1 1 436.575 4.338 20 0 IIADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001460693257 1126191704 /nfs/dbraw/zinc/19/17/04/1126191704.db2.gz DLNDHRYGUTXHHX-JOCHJYFZSA-N 1 1 432.973 4.467 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001620625281 1126242351 /nfs/dbraw/zinc/24/23/51/1126242351.db2.gz PWEOPENVTJKDMR-JOCHJYFZSA-N 1 1 431.508 4.189 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164401474 718858348 /nfs/dbraw/zinc/85/83/48/718858348.db2.gz FDPOKPRTZWZNKC-RTBURBONSA-N 1 1 447.608 4.466 20 0 IIADMO CCOC(Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OCC ZINC001164619189 719078435 /nfs/dbraw/zinc/07/84/35/719078435.db2.gz CJOHUIMUFLNDCM-CTNGQTDRSA-N 1 1 445.007 4.172 20 0 IIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624942 719107804 /nfs/dbraw/zinc/10/78/04/719107804.db2.gz FPXQGWUYEVLRJD-MSOLQXFVSA-N 1 1 445.901 4.431 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164683060 719707481 /nfs/dbraw/zinc/70/74/81/719707481.db2.gz IBAGEUYLFKUKBF-UHFFFAOYSA-N 1 1 448.945 4.128 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(C)n2)CC3)cs1 ZINC001164690825 719805491 /nfs/dbraw/zinc/80/54/91/719805491.db2.gz AHEKESKPZSJYBD-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(C)n2)CC3)cs1 ZINC001164690825 719805492 /nfs/dbraw/zinc/80/54/92/719805492.db2.gz AHEKESKPZSJYBD-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164693013 719807248 /nfs/dbraw/zinc/80/72/48/719807248.db2.gz OXVPNSWYNUUJCR-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cnc(OCc4ccccc4)cn2)CC3)cs1 ZINC001164692058 719811748 /nfs/dbraw/zinc/81/17/48/719811748.db2.gz KZQZOSUCCLSFLF-UHFFFAOYSA-N 1 1 435.597 4.456 20 0 IIADMO CCOC(=O)c1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ccc1Cl ZINC001164692816 719812166 /nfs/dbraw/zinc/81/21/66/719812166.db2.gz SFHRHFVDIXTAAT-UHFFFAOYSA-N 1 1 434.993 4.312 20 0 IIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(C)nnc2Cl)CC3)cs1 ZINC001164691261 719813778 /nfs/dbraw/zinc/81/37/78/719813778.db2.gz CAGKEEMWIFOJFC-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(C)nnc2Cl)CC3)cs1 ZINC001164691261 719813779 /nfs/dbraw/zinc/81/37/79/719813779.db2.gz CAGKEEMWIFOJFC-UHFFFAOYSA-N 1 1 427.952 4.383 20 0 IIADMO Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694608 719886744 /nfs/dbraw/zinc/88/67/44/719886744.db2.gz AXNCZAJWHFUOMZ-UHFFFAOYSA-N 1 1 431.911 4.352 20 0 IIADMO FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695263 719889982 /nfs/dbraw/zinc/88/99/82/719889982.db2.gz KIRQLLWSSCAAGD-UHFFFAOYSA-N 1 1 429.920 4.093 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164699010 719896126 /nfs/dbraw/zinc/89/61/26/719896126.db2.gz VLJYCZNHNOTTKQ-UHFFFAOYSA-N 1 1 449.624 4.143 20 0 IIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164699010 719896128 /nfs/dbraw/zinc/89/61/28/719896128.db2.gz VLJYCZNHNOTTKQ-UHFFFAOYSA-N 1 1 449.624 4.143 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2)n1 ZINC001164707125 719901313 /nfs/dbraw/zinc/90/13/13/719901313.db2.gz NWQZGADBEYQBSY-UHFFFAOYSA-N 1 1 439.585 4.188 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164710732 720102672 /nfs/dbraw/zinc/10/26/72/720102672.db2.gz LMMRIOJSYVNBIK-FQEVSTJZSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164810442 720103078 /nfs/dbraw/zinc/10/30/78/720103078.db2.gz JTDNWVQTMODSNH-CUNXSJBXSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164719599 720109571 /nfs/dbraw/zinc/10/95/71/720109571.db2.gz ZKJHSYHSDBJQQR-FQEVSTJZSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164814902 720113625 /nfs/dbraw/zinc/11/36/25/720113625.db2.gz TYKNDWBAFXDWIX-READRUSDSA-N 1 1 426.630 4.001 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164717349 720113837 /nfs/dbraw/zinc/11/38/37/720113837.db2.gz NMEKZYOLZRHOGN-OAQYLSRUSA-N 1 1 437.975 4.186 20 0 IIADMO CCc1c(Cl)nnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1CC ZINC001164717407 720120664 /nfs/dbraw/zinc/12/06/64/720120664.db2.gz ONEZIEDWISHRSY-IBGZPJMESA-N 1 1 444.023 4.157 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164718590 720125259 /nfs/dbraw/zinc/12/52/59/720125259.db2.gz SYBULGIAESZUTM-JOCHJYFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164711199 720136313 /nfs/dbraw/zinc/13/63/13/720136313.db2.gz FZJYKFBVXUKNTN-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813696 720167303 /nfs/dbraw/zinc/16/73/03/720167303.db2.gz DMRXKGBDBQLAME-SBUREZEXSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812404 720170905 /nfs/dbraw/zinc/17/09/05/720170905.db2.gz AKCPOEODLURVAD-UQBPGWFLSA-N 1 1 440.657 4.453 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)C2 ZINC001164812403 720170959 /nfs/dbraw/zinc/17/09/59/720170959.db2.gz AKCPOEODLURVAD-KBMIEXCESA-N 1 1 440.657 4.453 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818450 720178801 /nfs/dbraw/zinc/17/88/01/720178801.db2.gz SVCGEMYDMDQKFP-MBSDFSHPSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816683 720182141 /nfs/dbraw/zinc/18/21/41/720182141.db2.gz MEEMXTLBMGDLKX-CUNXSJBXSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814148 720202360 /nfs/dbraw/zinc/20/23/60/720202360.db2.gz SYQIJZLRJDDRKV-QUCCMNQESA-N 1 1 425.951 4.040 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725757 720427920 /nfs/dbraw/zinc/42/79/20/720427920.db2.gz AXMTXOXXAFRHLU-ZEQRLZLVSA-N 1 1 428.536 4.092 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164725743 720428058 /nfs/dbraw/zinc/42/80/58/720428058.db2.gz AXMTXOXXAFRHLU-BJKOFHAPSA-N 1 1 428.536 4.092 20 0 IIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725730 720439457 /nfs/dbraw/zinc/43/94/57/720439457.db2.gz AWCHEQHXZBRGCF-SFTDATJTSA-N 1 1 448.640 4.152 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726894 720444512 /nfs/dbraw/zinc/44/45/12/720444512.db2.gz CGFFSTSJMBTVGM-RBUKOAKNSA-N 1 1 425.895 4.310 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727000 720447120 /nfs/dbraw/zinc/44/71/20/720447120.db2.gz CPEYLBMNWKTVIG-ZWKOTPCHSA-N 1 1 431.874 4.183 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727000 720447128 /nfs/dbraw/zinc/44/71/28/720447128.db2.gz CPEYLBMNWKTVIG-ZWKOTPCHSA-N 1 1 431.874 4.183 20 0 IIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164729623 720479664 /nfs/dbraw/zinc/47/96/64/720479664.db2.gz SAIAXVPHNQNLFP-VQTJNVASSA-N 1 1 437.931 4.179 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731591 720497511 /nfs/dbraw/zinc/49/75/11/720497511.db2.gz WPIRSQDRSGJYMX-SBUREZEXSA-N 1 1 433.955 4.329 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731591 720497512 /nfs/dbraw/zinc/49/75/12/720497512.db2.gz WPIRSQDRSGJYMX-SBUREZEXSA-N 1 1 433.955 4.329 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834386 720506691 /nfs/dbraw/zinc/50/66/91/720506691.db2.gz FVFRHHXODGRZJR-CMKODMSKSA-N 1 1 439.991 4.471 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834392 720506710 /nfs/dbraw/zinc/50/67/10/720506710.db2.gz FVFRHHXODGRZJR-WSTZPKSXSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)CC[C@@H]21 ZINC001164841259 720522161 /nfs/dbraw/zinc/52/21/61/720522161.db2.gz XYXORXHHKUVBRO-FKBYEOEOSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841534 720641108 /nfs/dbraw/zinc/64/11/08/720641108.db2.gz SPZNOUGBKFWOID-TXTKFYIRSA-N 1 1 434.563 4.165 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164837048 720711952 /nfs/dbraw/zinc/71/19/52/720711952.db2.gz DBYZVMMGGAASRK-IBGZPJMESA-N 1 1 434.609 4.440 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164840335 720720501 /nfs/dbraw/zinc/72/05/01/720720501.db2.gz PMJOAMCNKVCTDP-QHCPKHFHSA-N 1 1 435.616 4.117 20 0 IIADMO CC[C@@H]1N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCC[C@]12CCC(=O)N2 ZINC001164844689 720756835 /nfs/dbraw/zinc/75/68/35/720756835.db2.gz CLIIIYMSRVOFQE-DFBJGRDBSA-N 1 1 449.624 4.448 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164745215 720838306 /nfs/dbraw/zinc/83/83/06/720838306.db2.gz MWTWPNBYLVJTPM-JAXLGGSGSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751675 720871988 /nfs/dbraw/zinc/87/19/88/720871988.db2.gz LWPDTEICPXOIBZ-QPPBQGQZSA-N 1 1 426.992 4.194 20 0 IIADMO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754865 720873605 /nfs/dbraw/zinc/87/36/05/720873605.db2.gz UFEJELRHYQBNIL-ZEQKJWHPSA-N 1 1 435.616 4.059 20 0 IIADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853001 720875976 /nfs/dbraw/zinc/87/59/76/720875976.db2.gz BCCVSGHIIYSQFQ-RLWLMLJZSA-N 1 1 447.579 4.084 20 0 IIADMO c1ccc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164752933 720877882 /nfs/dbraw/zinc/87/78/82/720877882.db2.gz NNAIDNHPDQCQSL-VPUSJEBWSA-N 1 1 428.580 4.385 20 0 IIADMO c1cc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2s1 ZINC001164751593 720896094 /nfs/dbraw/zinc/89/60/94/720896094.db2.gz COSIGAVQCGOTAQ-DHLKQENFSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164752297 720909007 /nfs/dbraw/zinc/90/90/07/720909007.db2.gz NVJKYFFMUHZTJB-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946448 /nfs/dbraw/zinc/94/64/48/720946448.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 1 1 444.627 4.258 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946457 /nfs/dbraw/zinc/94/64/57/720946457.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 1 1 444.627 4.258 20 0 IIADMO CCOc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OCC ZINC001164856973 720962520 /nfs/dbraw/zinc/96/25/20/720962520.db2.gz DFKLUAUAWZHERR-QGZVFWFLSA-N 1 1 438.576 4.045 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862587 720973588 /nfs/dbraw/zinc/97/35/88/720973588.db2.gz TUSXSHAZQUGSIU-OAHLLOKOSA-N 1 1 433.984 4.308 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@@H]2C ZINC001164864194 720977065 /nfs/dbraw/zinc/97/70/65/720977065.db2.gz ZGIDWXFHUWXCJX-CQSZACIVSA-N 1 1 445.930 4.074 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164861904 720996201 /nfs/dbraw/zinc/99/62/01/720996201.db2.gz RAZCURRVKKKIJM-LJQANCHMSA-N 1 1 447.583 4.462 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@@H]2C ZINC001164859509 721019600 /nfs/dbraw/zinc/01/96/00/721019600.db2.gz IUZPXHVRNGGFQG-GFCCVEGCSA-N 1 1 434.318 4.431 20 0 IIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865531 721078153 /nfs/dbraw/zinc/07/81/53/721078153.db2.gz MLSXUSGZMNFOJV-UXHICEINSA-N 1 1 444.913 4.308 20 0 IIADMO Clc1ccc2ccc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880449 721179495 /nfs/dbraw/zinc/17/94/95/721179495.db2.gz WRWJLQXFKQCNCA-ZWKOTPCHSA-N 1 1 429.351 4.416 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776745 721341949 /nfs/dbraw/zinc/34/19/49/721341949.db2.gz CMDRTQKGXLVTCD-NRFANRHFSA-N 1 1 447.992 4.069 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779761 721348694 /nfs/dbraw/zinc/34/86/94/721348694.db2.gz VVQCUZJMZDSLLK-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779761 721348696 /nfs/dbraw/zinc/34/86/96/721348696.db2.gz VVQCUZJMZDSLLK-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO CSc1ccnc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780101 721356775 /nfs/dbraw/zinc/35/67/75/721356775.db2.gz DGYMDKMCCLSIQO-NRFANRHFSA-N 1 1 437.009 4.181 20 0 IIADMO CSc1ccnc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780101 721356777 /nfs/dbraw/zinc/35/67/77/721356777.db2.gz DGYMDKMCCLSIQO-NRFANRHFSA-N 1 1 437.009 4.181 20 0 IIADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164784941 721408220 /nfs/dbraw/zinc/40/82/20/721408220.db2.gz LXSZRNBZKVRHAI-OYRHEFFESA-N 1 1 440.576 4.230 20 0 IIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@H]3C2)n1 ZINC001164784941 721408223 /nfs/dbraw/zinc/40/82/23/721408223.db2.gz LXSZRNBZKVRHAI-OYRHEFFESA-N 1 1 440.576 4.230 20 0 IIADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)n1 ZINC001164787205 721421078 /nfs/dbraw/zinc/42/10/78/721421078.db2.gz PRHRPLSQAADICT-FGZHOGPDSA-N 1 1 448.592 4.209 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791018 721426053 /nfs/dbraw/zinc/42/60/53/721426053.db2.gz ZANXYLKTSLNXQH-QRVBRYPASA-N 1 1 434.613 4.033 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791018 721426056 /nfs/dbraw/zinc/42/60/56/721426056.db2.gz ZANXYLKTSLNXQH-QRVBRYPASA-N 1 1 434.613 4.033 20 0 IIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164782540 721436212 /nfs/dbraw/zinc/43/62/12/721436212.db2.gz GLYPMZFHDLPYRJ-HOTGVXAUSA-N 1 1 427.961 4.255 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc(Cl)ccc3n1)CC2 ZINC001164787873 721456084 /nfs/dbraw/zinc/45/60/84/721456084.db2.gz SRYPJILQKFABTN-FQEVSTJZSA-N 1 1 445.007 4.017 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888232 721465277 /nfs/dbraw/zinc/46/52/77/721465277.db2.gz FKXUPJXDGQVQDM-MOPGFXCFSA-N 1 1 443.661 4.233 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793353 721488315 /nfs/dbraw/zinc/48/83/15/721488315.db2.gz QRBSOWVBNANLDQ-LFAGZIFBSA-N 1 1 440.563 4.085 20 0 IIADMO COc1cccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)c1 ZINC001164795005 721501045 /nfs/dbraw/zinc/50/10/45/721501045.db2.gz AADWCVVGHTUPKA-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1 ZINC001164895616 721505086 /nfs/dbraw/zinc/50/50/86/721505086.db2.gz DFWHUHQUVYUYKC-PKTZIBPZSA-N 1 1 433.600 4.056 20 0 IIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795588 721505630 /nfs/dbraw/zinc/50/56/30/721505630.db2.gz LZRUYGLQMLPUAE-WXVAWEFUSA-N 1 1 441.579 4.115 20 0 IIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795588 721505637 /nfs/dbraw/zinc/50/56/37/721505637.db2.gz LZRUYGLQMLPUAE-WXVAWEFUSA-N 1 1 441.579 4.115 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164795188 721526082 /nfs/dbraw/zinc/52/60/82/721526082.db2.gz LLNGMVULEQPCOW-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164795188 721526085 /nfs/dbraw/zinc/52/60/85/721526085.db2.gz LLNGMVULEQPCOW-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164809013 721531831 /nfs/dbraw/zinc/53/18/31/721531831.db2.gz TZGYPJMUVHABKD-LMMKCTJWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164809013 721531833 /nfs/dbraw/zinc/53/18/33/721531833.db2.gz TZGYPJMUVHABKD-LMMKCTJWSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@H]12 ZINC001164805324 721541161 /nfs/dbraw/zinc/54/11/61/721541161.db2.gz LRCDRANNAFEDFM-ZVDOUQERSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@H]12 ZINC001164805324 721541162 /nfs/dbraw/zinc/54/11/62/721541162.db2.gz LRCDRANNAFEDFM-ZVDOUQERSA-N 1 1 437.613 4.252 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800671 721541892 /nfs/dbraw/zinc/54/18/92/721541892.db2.gz DCKKEDVAXWNXAQ-SJBKTWHCSA-N 1 1 426.923 4.291 20 0 IIADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810499 721554871 /nfs/dbraw/zinc/55/48/71/721554871.db2.gz YNJWFHKOGZJWOL-FUPPJEDESA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164808033 721555636 /nfs/dbraw/zinc/55/56/36/721555636.db2.gz UMGSWTJZWNQKGT-VSKRKVRLSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164808033 721555638 /nfs/dbraw/zinc/55/56/38/721555638.db2.gz UMGSWTJZWNQKGT-VSKRKVRLSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164910332 721560829 /nfs/dbraw/zinc/56/08/29/721560829.db2.gz WHDCVOPWRZMAFA-WBVHZDCISA-N 1 1 433.314 4.418 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164805837 721567493 /nfs/dbraw/zinc/56/74/93/721567493.db2.gz PCGKNDJLVYRFKR-FUDKSRODSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@H]12 ZINC001164806042 721573110 /nfs/dbraw/zinc/57/31/10/721573110.db2.gz PEXRAFRHOWRTOG-SJBKTWHCSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@H]12 ZINC001164806042 721573113 /nfs/dbraw/zinc/57/31/13/721573113.db2.gz PEXRAFRHOWRTOG-SJBKTWHCSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164800080 721588829 /nfs/dbraw/zinc/58/88/29/721588829.db2.gz BNZHWPOKHKHLSI-VIZSFHNOSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164805024 721590915 /nfs/dbraw/zinc/59/09/15/721590915.db2.gz JZRMVOSYMJYNAE-SFHLNBCPSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164805024 721590917 /nfs/dbraw/zinc/59/09/17/721590917.db2.gz JZRMVOSYMJYNAE-SFHLNBCPSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@H]12 ZINC001164806198 721591457 /nfs/dbraw/zinc/59/14/57/721591457.db2.gz MGGOQULJVQIKQB-ZVDOUQERSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@H]12 ZINC001164806198 721591458 /nfs/dbraw/zinc/59/14/58/721591458.db2.gz MGGOQULJVQIKQB-ZVDOUQERSA-N 1 1 448.945 4.118 20 0 IIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164903762 721697280 /nfs/dbraw/zinc/69/72/80/721697280.db2.gz CCLCGOFRKHVZBI-FQEVSTJZSA-N 1 1 432.906 4.052 20 0 IIADMO FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906134 721698594 /nfs/dbraw/zinc/69/85/94/721698594.db2.gz LTLPLKMALJOGPJ-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905448 721700748 /nfs/dbraw/zinc/70/07/48/721700748.db2.gz JICYZCWXIVJGPQ-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165009484 721726711 /nfs/dbraw/zinc/72/67/11/721726711.db2.gz XGKSUVMFSMAZMM-DEOSSOPVSA-N 1 1 441.645 4.131 20 0 IIADMO FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911233 721732459 /nfs/dbraw/zinc/73/24/59/721732459.db2.gz JAUVTWQIRZFRPU-HSZRJFAPSA-N 1 1 437.494 4.402 20 0 IIADMO COc1cc(C)c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164912693 721739366 /nfs/dbraw/zinc/73/93/66/721739366.db2.gz PMPRQZZITYCKJX-HSZRJFAPSA-N 1 1 439.510 4.080 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSC3)C2 ZINC001164907852 721751586 /nfs/dbraw/zinc/75/15/86/721751586.db2.gz BULTTYXSYVWRBJ-UHFFFAOYSA-N 1 1 427.961 4.060 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSC3)C2 ZINC001164907852 721751593 /nfs/dbraw/zinc/75/15/93/721751593.db2.gz BULTTYXSYVWRBJ-UHFFFAOYSA-N 1 1 427.961 4.060 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164907857 721752410 /nfs/dbraw/zinc/75/24/10/721752410.db2.gz BUVURUGAFDHWME-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COC(=O)c1ccc2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164907857 721752420 /nfs/dbraw/zinc/75/24/20/721752420.db2.gz BUVURUGAFDHWME-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028232 721811566 /nfs/dbraw/zinc/81/15/66/721811566.db2.gz WSENLEGRKPHJDZ-WMQCIHAUSA-N 1 1 442.991 4.352 20 0 IIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165025680 721823632 /nfs/dbraw/zinc/82/36/32/721823632.db2.gz NJRPPYPLWAJCGC-QUURXOELSA-N 1 1 429.568 4.284 20 0 IIADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019939 721825622 /nfs/dbraw/zinc/82/56/22/721825622.db2.gz CNXYFBVDEIYCQX-BPUDTRNYSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001165024434 721825908 /nfs/dbraw/zinc/82/59/08/721825908.db2.gz JVQAVYVCBJFCPQ-YXJHDRRASA-N 1 1 446.933 4.288 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921537 721872760 /nfs/dbraw/zinc/87/27/60/721872760.db2.gz DDYVTVSPCLYLKU-QZTJIDSGSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921537 721872761 /nfs/dbraw/zinc/87/27/61/721872761.db2.gz DDYVTVSPCLYLKU-QZTJIDSGSA-N 1 1 428.005 4.226 20 0 IIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165043591 721922162 /nfs/dbraw/zinc/92/21/62/721922162.db2.gz MQVHSRUFSBILQM-GOSISDBHSA-N 1 1 425.882 4.387 20 0 IIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2Cl)cc1 ZINC001165045044 721922398 /nfs/dbraw/zinc/92/23/98/721922398.db2.gz YKMSTMSFLAPYEB-SFHVURJKSA-N 1 1 425.882 4.387 20 0 IIADMO CCc1c(Cl)nnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1CC ZINC001164938897 721926664 /nfs/dbraw/zinc/92/66/64/721926664.db2.gz AFHBCRBTUNZHGY-UHFFFAOYSA-N 1 1 429.008 4.435 20 0 IIADMO COc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc(C)c2c1 ZINC001164938649 721927916 /nfs/dbraw/zinc/92/79/16/721927916.db2.gz CQXJFCCJTSVIKI-UHFFFAOYSA-N 1 1 432.568 4.127 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)s1 ZINC001164940663 721932432 /nfs/dbraw/zinc/93/24/32/721932432.db2.gz WGQHWFQIJZCUQP-UHFFFAOYSA-N 1 1 449.624 4.397 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164942327 721933024 /nfs/dbraw/zinc/93/30/24/721933024.db2.gz LNFOJAKISBRMQO-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO COC(=O)CCN(Cc1ccco1)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001165050750 721982676 /nfs/dbraw/zinc/98/26/76/721982676.db2.gz WOMZCGRFLGZUJX-UHFFFAOYSA-N 1 1 428.558 4.067 20 0 IIADMO CCN(CCC(N)=O)c1nc(C[NH+]2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC001165047789 721984227 /nfs/dbraw/zinc/98/42/27/721984227.db2.gz PXYTUXKPAXPGJG-UHFFFAOYSA-N 1 1 443.642 4.353 20 0 IIADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955896 722018812 /nfs/dbraw/zinc/01/88/12/722018812.db2.gz RQFQICQFRFOYLP-UHFFFAOYSA-N 1 1 442.007 4.151 20 0 IIADMO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164972371 722091557 /nfs/dbraw/zinc/09/15/57/722091557.db2.gz GPBVLCILUFWUBR-IBGZPJMESA-N 1 1 431.024 4.244 20 0 IIADMO Clc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980725 722099652 /nfs/dbraw/zinc/09/96/52/722099652.db2.gz KAPJTMXTYGNODG-OXJNMPFZSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985264 722107993 /nfs/dbraw/zinc/10/79/93/722107993.db2.gz VWIYKHXREHYYGY-VGOFRKELSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970911 722112494 /nfs/dbraw/zinc/11/24/94/722112494.db2.gz AMFFNPNXLJBSEE-VQIMIIECSA-N 1 1 444.366 4.059 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973063 722116585 /nfs/dbraw/zinc/11/65/85/722116585.db2.gz GGVKOOJKJDEAIW-MBSDFSHPSA-N 1 1 438.959 4.019 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976089 722145272 /nfs/dbraw/zinc/14/52/72/722145272.db2.gz HAXNIRSPULDYLY-VXKWHMMOSA-N 1 1 449.986 4.228 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974682 722159139 /nfs/dbraw/zinc/15/91/39/722159139.db2.gz OWUMDDJHXCVMKJ-FDDCHVKYSA-N 1 1 438.959 4.019 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994349 722211212 /nfs/dbraw/zinc/21/12/12/722211212.db2.gz AXEQBHVSQFNOCA-FQEVSTJZSA-N 1 1 433.318 4.111 20 0 IIADMO Cc1cc(-c2noc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1F ZINC001308118941 1126164060 /nfs/dbraw/zinc/16/40/60/1126164060.db2.gz WQZAPMDHYXZENY-HXUWFJFHSA-N 1 1 434.309 4.030 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001620625282 1126242280 /nfs/dbraw/zinc/24/22/80/1126242280.db2.gz PWEOPENVTJKDMR-QFIPXVFZSA-N 1 1 431.508 4.189 20 0 IIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621035 719078689 /nfs/dbraw/zinc/07/86/89/719078689.db2.gz GLKICGUHCQUPCT-RXVVDRJESA-N 1 1 436.943 4.171 20 0 IIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624930 719084517 /nfs/dbraw/zinc/08/45/17/719084517.db2.gz MAFZNTIUGURWFF-FYYLOGMGSA-N 1 1 442.542 4.115 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164650969 719317471 /nfs/dbraw/zinc/31/74/71/719317471.db2.gz FFNZTFMKHRKSSL-UHFFFAOYSA-N 1 1 434.318 4.215 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4ccc(Cl)cc42)CC3)cc1 ZINC001164674512 719498580 /nfs/dbraw/zinc/49/85/80/719498580.db2.gz YSRMIQKLXUJIKE-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4ccc(Cl)cc42)CC3)cc1 ZINC001164674512 719498584 /nfs/dbraw/zinc/49/85/84/719498584.db2.gz YSRMIQKLXUJIKE-UHFFFAOYSA-N 1 1 426.923 4.294 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(F)cc4ncnc(Cl)c42)CC3)cc1 ZINC001164673374 719520398 /nfs/dbraw/zinc/52/03/98/719520398.db2.gz QQAQDEBTFFLBIW-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(F)cc4ncnc(Cl)c42)CC3)cc1 ZINC001164673374 719520403 /nfs/dbraw/zinc/52/04/03/719520403.db2.gz QQAQDEBTFFLBIW-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccnc(NC(=O)OC(C)(C)C)n2)CC3)cs1 ZINC001164692475 719806331 /nfs/dbraw/zinc/80/63/31/719806331.db2.gz HWHNRVHHMMVZOI-UHFFFAOYSA-N 1 1 444.605 4.224 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164694524 719809258 /nfs/dbraw/zinc/80/92/58/719809258.db2.gz ZLVUTURUGCYKSA-UHFFFAOYSA-N 1 1 434.993 4.312 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692186 719814793 /nfs/dbraw/zinc/81/47/93/719814793.db2.gz NIBRGTDFXBRPBU-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164711695 720104610 /nfs/dbraw/zinc/10/46/10/720104610.db2.gz SRBKQCXQSORQCJ-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164814906 720113403 /nfs/dbraw/zinc/11/34/03/720113403.db2.gz TYKNDWBAFXDWIX-YLNUKYHNSA-N 1 1 426.630 4.001 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164712203 720139339 /nfs/dbraw/zinc/13/93/39/720139339.db2.gz KWFFMNTZPZDWIW-XMMPIXPASA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164712592 720151338 /nfs/dbraw/zinc/15/13/38/720151338.db2.gz NSFONLXDMNYNHU-QHCPKHFHSA-N 1 1 436.600 4.053 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)C2 ZINC001164810745 720207226 /nfs/dbraw/zinc/20/72/26/720207226.db2.gz CKWLYJVTUWDSIO-HXOBKFHXSA-N 1 1 433.955 4.221 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816827 720259479 /nfs/dbraw/zinc/25/94/79/720259479.db2.gz MYHUHLAXBIYAJQ-FSSWDIPSSA-N 1 1 439.629 4.163 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164735724 720436958 /nfs/dbraw/zinc/43/69/58/720436958.db2.gz YCEWAZLJROIKRZ-QZTJIDSGSA-N 1 1 425.895 4.310 20 0 IIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164727091 720437412 /nfs/dbraw/zinc/43/74/12/720437412.db2.gz DBEZNSIQAUOFAP-BJKOFHAPSA-N 1 1 438.579 4.345 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733275 720503685 /nfs/dbraw/zinc/50/36/85/720503685.db2.gz ZOICGZKGASCXPF-PLXFJCCSSA-N 1 1 449.599 4.038 20 0 IIADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164834384 720526645 /nfs/dbraw/zinc/52/66/45/720526645.db2.gz FTNMDXVAQHPOLA-XYJFISCASA-N 1 1 431.009 4.227 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]21 ZINC001164834562 720533982 /nfs/dbraw/zinc/53/39/82/720533982.db2.gz DUSSLJNEDMRFPO-SIFCLUCFSA-N 1 1 446.933 4.136 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)n1 ZINC001164736414 720539279 /nfs/dbraw/zinc/53/92/79/720539279.db2.gz XUZNKDDHCNNVNW-YKSBVNFPSA-N 1 1 442.991 4.180 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835817 720552155 /nfs/dbraw/zinc/55/21/55/720552155.db2.gz HWPGYCUAMJKFMB-RRPUWOKSSA-N 1 1 433.604 4.121 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835815 720552845 /nfs/dbraw/zinc/55/28/45/720552845.db2.gz HWPGYCUAMJKFMB-IEIRFRATSA-N 1 1 433.604 4.121 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]21 ZINC001164835927 720598983 /nfs/dbraw/zinc/59/89/83/720598983.db2.gz CSSQZMDAHCOGSB-HJOGWXRNSA-N 1 1 431.584 4.235 20 0 IIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164842884 720599660 /nfs/dbraw/zinc/59/96/60/720599660.db2.gz WFEMKFJFGZFAJY-NLWGTHIKSA-N 1 1 436.629 4.063 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840250 720618963 /nfs/dbraw/zinc/61/89/63/720618963.db2.gz PKTHKZPEWFAENY-ABSDTBQOSA-N 1 1 426.515 4.142 20 0 IIADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164835937 720620302 /nfs/dbraw/zinc/62/03/02/720620302.db2.gz CWNWXKOUFUMRRD-SONWIMMPSA-N 1 1 430.600 4.280 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(SCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839298 720631779 /nfs/dbraw/zinc/63/17/79/720631779.db2.gz NEXSMUNGICZNFR-RJGXRXQPSA-N 1 1 448.640 4.343 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]21 ZINC001164837617 720644598 /nfs/dbraw/zinc/64/45/98/720644598.db2.gz DKMJPEMJEIZQCE-ULQDDVLXSA-N 1 1 435.403 4.235 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842455 720661339 /nfs/dbraw/zinc/66/13/39/720661339.db2.gz RQLJUPNBTBBAJI-SFHVURJKSA-N 1 1 436.934 4.243 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164840411 720688531 /nfs/dbraw/zinc/68/85/31/720688531.db2.gz DMGAGMLEBALSPX-XMMPIXPASA-N 1 1 444.579 4.316 20 0 IIADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccn2)n1 ZINC001164838321 720709307 /nfs/dbraw/zinc/70/93/07/720709307.db2.gz HZEHGFPGGLBRQB-QFIPXVFZSA-N 1 1 429.568 4.107 20 0 IIADMO CCCSc1ncnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164842332 720727228 /nfs/dbraw/zinc/72/72/28/720727228.db2.gz YIVWSVBVTWTXES-FQEVSTJZSA-N 1 1 442.629 4.247 20 0 IIADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164757433 720884120 /nfs/dbraw/zinc/88/41/20/720884120.db2.gz UPSPASUHFVFFGX-WMZHIEFXSA-N 1 1 430.955 4.024 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758883 720893918 /nfs/dbraw/zinc/89/39/18/720893918.db2.gz ZYYGFWJGRABSQZ-OZXSUGGESA-N 1 1 436.600 4.019 20 0 IIADMO CC(C)Oc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758883 720893921 /nfs/dbraw/zinc/89/39/21/720893921.db2.gz ZYYGFWJGRABSQZ-OZXSUGGESA-N 1 1 436.600 4.019 20 0 IIADMO Cc1cc2cccnc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753807 720927827 /nfs/dbraw/zinc/92/78/27/720927827.db2.gz UDGZMMXKEZQLJB-RPLLCQBOSA-N 1 1 443.595 4.088 20 0 IIADMO COC(=O)c1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164861897 720995472 /nfs/dbraw/zinc/99/54/72/720995472.db2.gz RAZCURRVKKKIJM-IBGZPJMESA-N 1 1 447.583 4.462 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@H]2C ZINC001164858816 721015082 /nfs/dbraw/zinc/01/50/82/721015082.db2.gz HMSDKZNTYVKQPK-INIZCTEOSA-N 1 1 433.585 4.371 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@H]2C ZINC001164860926 721017020 /nfs/dbraw/zinc/01/70/20/721017020.db2.gz LVEYTJVFWQBEJL-HNNXBMFYSA-N 1 1 433.984 4.308 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763828 721028969 /nfs/dbraw/zinc/02/89/69/721028969.db2.gz LSDOSOLBTAUECL-XUZZJYLKSA-N 1 1 442.991 4.071 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC001164771190 721056105 /nfs/dbraw/zinc/05/61/05/721056105.db2.gz LXARDIPFBUQSDI-TZRRMPRUSA-N 1 1 433.600 4.102 20 0 IIADMO c1sc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164866058 721066334 /nfs/dbraw/zinc/06/63/34/721066334.db2.gz CEROQXOHUVYVKC-NHCUHLMSSA-N 1 1 443.576 4.233 20 0 IIADMO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)c1 ZINC001164866270 721066922 /nfs/dbraw/zinc/06/69/22/721066922.db2.gz DKQMEOWRVAHWSU-QZTJIDSGSA-N 1 1 449.605 4.295 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6cccs6)c54)C[C@@H]3C2)cn1 ZINC001164762958 721098247 /nfs/dbraw/zinc/09/82/47/721098247.db2.gz FPFAQDDWHCMJQT-IRXDYDNUSA-N 1 1 436.610 4.112 20 0 IIADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]5CC[N@H+](Cc6cnn(C)c6)C[C@@H]5C4)c23)cc1 ZINC001164767293 721114287 /nfs/dbraw/zinc/11/42/87/721114287.db2.gz MINJFTBTJONJJG-NHCUHLMSSA-N 1 1 444.608 4.359 20 0 IIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866651 721115060 /nfs/dbraw/zinc/11/50/60/721115060.db2.gz UNHVTTFRYXEDQE-OALUTQOASA-N 1 1 444.913 4.308 20 0 IIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866707 721118202 /nfs/dbraw/zinc/11/82/02/721118202.db2.gz USRJRDLEHSLTKY-ROUUACIJSA-N 1 1 444.913 4.308 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(Cl)n3)C2)C1 ZINC001164777437 721333265 /nfs/dbraw/zinc/33/32/65/721333265.db2.gz NHQIZAWNZYFQFF-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(Cl)n3)C2)C1 ZINC001164777437 721333270 /nfs/dbraw/zinc/33/32/70/721333270.db2.gz NHQIZAWNZYFQFF-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779031 721341058 /nfs/dbraw/zinc/34/10/58/721341058.db2.gz PBZXYJKFDSSOKR-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779370 721347171 /nfs/dbraw/zinc/34/71/71/721347171.db2.gz SRBFUTOOMCBRAY-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1 ZINC001164780007 721348589 /nfs/dbraw/zinc/34/85/89/721348589.db2.gz YGJQZJRXLJMMSY-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1 ZINC001164780007 721348590 /nfs/dbraw/zinc/34/85/90/721348590.db2.gz YGJQZJRXLJMMSY-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C2)n1)CCCCC3 ZINC001164789689 721427173 /nfs/dbraw/zinc/42/71/73/721427173.db2.gz WIWLREYPGXBLKZ-IYBDPMFKSA-N 1 1 425.627 4.293 20 0 IIADMO Cc1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C2)n1)CCCCC3 ZINC001164789689 721427176 /nfs/dbraw/zinc/42/71/76/721427176.db2.gz WIWLREYPGXBLKZ-IYBDPMFKSA-N 1 1 425.627 4.293 20 0 IIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788956 721431383 /nfs/dbraw/zinc/43/13/83/721431383.db2.gz UNFISJGRFAIIGK-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788956 721431385 /nfs/dbraw/zinc/43/13/85/721431385.db2.gz UNFISJGRFAIIGK-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164785528 721433178 /nfs/dbraw/zinc/43/31/78/721433178.db2.gz NNAAHWQNOWRTOB-NHCUHLMSSA-N 1 1 446.624 4.159 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884332 721447907 /nfs/dbraw/zinc/44/79/07/721447907.db2.gz ASCGMSYXRFHVQH-JPYJTQIMSA-N 1 1 449.426 4.307 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164785300 721453984 /nfs/dbraw/zinc/45/39/84/721453984.db2.gz ILTZHKCIOKZFHS-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO CN1Cc2ccccc2CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1=O ZINC001164893337 721473573 /nfs/dbraw/zinc/47/35/73/721473573.db2.gz HPUDPOYCFJRWQE-UHFFFAOYSA-N 1 1 439.003 4.132 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001164796712 721500108 /nfs/dbraw/zinc/50/01/08/721500108.db2.gz WDHYUOAZIWEXTK-UHFFFAOYSA-N 1 1 447.627 4.230 20 0 IIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795586 721505738 /nfs/dbraw/zinc/50/57/38/721505738.db2.gz LZRUYGLQMLPUAE-AMGIVPHBSA-N 1 1 441.579 4.115 20 0 IIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795586 721505742 /nfs/dbraw/zinc/50/57/42/721505742.db2.gz LZRUYGLQMLPUAE-AMGIVPHBSA-N 1 1 441.579 4.115 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164795186 721525853 /nfs/dbraw/zinc/52/58/53/721525853.db2.gz LLNGMVULEQPCOW-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164795186 721525858 /nfs/dbraw/zinc/52/58/58/721525858.db2.gz LLNGMVULEQPCOW-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164808377 721528779 /nfs/dbraw/zinc/52/87/79/721528779.db2.gz RUCHUVOTSZVZEW-KSZLIROESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164808377 721528787 /nfs/dbraw/zinc/52/87/87/721528787.db2.gz RUCHUVOTSZVZEW-KSZLIROESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164808942 721539815 /nfs/dbraw/zinc/53/98/15/721539815.db2.gz SNJNKXIAODVESJ-PQNGQFLHSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800675 721541657 /nfs/dbraw/zinc/54/16/57/721541657.db2.gz DCKKEDVAXWNXAQ-TUNNFDKTSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@H]2CCCO[C@H]12 ZINC001164802499 721549244 /nfs/dbraw/zinc/54/92/44/721549244.db2.gz GNCRFAKJEKAJAS-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@H]2CCCO[C@H]12 ZINC001164802499 721549246 /nfs/dbraw/zinc/54/92/46/721549246.db2.gz GNCRFAKJEKAJAS-NSHGMRRFSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[N@H+]3C2)c1 ZINC001164910797 721559578 /nfs/dbraw/zinc/55/95/78/721559578.db2.gz XLDZYQMUSARKGQ-HKUYNNGSSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)c5ccc(Cl)cc54)CC[N@H+]3C2)c1 ZINC001164910319 721560739 /nfs/dbraw/zinc/56/07/39/721560739.db2.gz WHDCVOPWRZMAFA-NVXWUHKLSA-N 1 1 433.314 4.418 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@H]2CCCO[C@@H]12 ZINC001164806043 721572708 /nfs/dbraw/zinc/57/27/08/721572708.db2.gz PEXRAFRHOWRTOG-TUNNFDKTSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@H]2CCCO[C@@H]12 ZINC001164806043 721572712 /nfs/dbraw/zinc/57/27/12/721572712.db2.gz PEXRAFRHOWRTOG-TUNNFDKTSA-N 1 1 448.958 4.028 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC001164807669 721583070 /nfs/dbraw/zinc/58/30/70/721583070.db2.gz PEXWEJLRSIQHMV-OYRHQHFDSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC001164807669 721583072 /nfs/dbraw/zinc/58/30/72/721583072.db2.gz PEXWEJLRSIQHMV-OYRHQHFDSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164808173 721585658 /nfs/dbraw/zinc/58/56/58/721585658.db2.gz QAHZCERJVZRPGL-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164808173 721585660 /nfs/dbraw/zinc/58/56/60/721585660.db2.gz QAHZCERJVZRPGL-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164808191 721585936 /nfs/dbraw/zinc/58/59/36/721585936.db2.gz QAHZCERJVZRPGL-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164808191 721585938 /nfs/dbraw/zinc/58/59/38/721585938.db2.gz QAHZCERJVZRPGL-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@@H]12 ZINC001164808336 721589846 /nfs/dbraw/zinc/58/98/46/721589846.db2.gz QSSNSKSGXPBQPB-KKLQWCBXSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@H]12 ZINC001164808338 721589920 /nfs/dbraw/zinc/58/99/20/721589920.db2.gz QSSNSKSGXPBQPB-XQFWAAQXSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164803390 721591554 /nfs/dbraw/zinc/59/15/54/721591554.db2.gz HXXIGQXDVBLHLM-HBMCJLEFSA-N 1 1 448.945 4.421 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164803390 721591556 /nfs/dbraw/zinc/59/15/56/721591556.db2.gz HXXIGQXDVBLHLM-HBMCJLEFSA-N 1 1 448.945 4.421 20 0 IIADMO FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904068 721692807 /nfs/dbraw/zinc/69/28/07/721692807.db2.gz CVDKPUABICLWDF-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO Cc1nc2cc(F)ccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906714 721695543 /nfs/dbraw/zinc/69/55/43/721695543.db2.gz PFNYSKSARPXEFR-QFIPXVFZSA-N 1 1 427.474 4.210 20 0 IIADMO FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907048 721698009 /nfs/dbraw/zinc/69/80/09/721698009.db2.gz QNBQANWTJGAEJT-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2csc3ncnc(Cl)c23)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907398 721698282 /nfs/dbraw/zinc/69/82/82/721698282.db2.gz SFZINZHKIXKKNV-IBGZPJMESA-N 1 1 435.931 4.477 20 0 IIADMO FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905667 721698330 /nfs/dbraw/zinc/69/83/30/721698330.db2.gz KJNDAJPGCMWVLI-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCc1cc2c(ncnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905556 721702940 /nfs/dbraw/zinc/70/29/40/721702940.db2.gz JVOIKJUSIOCTJZ-NRFANRHFSA-N 1 1 429.540 4.386 20 0 IIADMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913786 721730794 /nfs/dbraw/zinc/73/07/94/721730794.db2.gz XRXWKIQZXCOQHJ-QFIPXVFZSA-N 1 1 425.483 4.178 20 0 IIADMO CCc1nc2sccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912855 721731269 /nfs/dbraw/zinc/73/12/69/721731269.db2.gz QOZBHMPKTRSICI-OAQYLSRUSA-N 1 1 429.540 4.386 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910012 721745281 /nfs/dbraw/zinc/74/52/81/721745281.db2.gz XVBKWKVGSJNNAN-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910012 721745283 /nfs/dbraw/zinc/74/52/83/721745283.db2.gz XVBKWKVGSJNNAN-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(Cl)n1 ZINC001164908864 721750721 /nfs/dbraw/zinc/75/07/21/721750721.db2.gz MUQBZDJGXGRGCV-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(Cl)n1 ZINC001164908864 721750732 /nfs/dbraw/zinc/75/07/32/721750732.db2.gz MUQBZDJGXGRGCV-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO CCCN(CCC)c1cncc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909613 721758475 /nfs/dbraw/zinc/75/84/75/721758475.db2.gz JRWSVVVEDZVPLZ-UHFFFAOYSA-N 1 1 434.588 4.286 20 0 IIADMO CCCN(CCC)c1cncc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909613 721758476 /nfs/dbraw/zinc/75/84/76/721758476.db2.gz JRWSVVVEDZVPLZ-UHFFFAOYSA-N 1 1 434.588 4.286 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164912179 721763979 /nfs/dbraw/zinc/76/39/79/721763979.db2.gz UWEDRYWHUMANDC-UHFFFAOYSA-N 1 1 440.551 4.338 20 0 IIADMO Cc1nc(-c2ccncc2)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164912179 721763981 /nfs/dbraw/zinc/76/39/81/721763981.db2.gz UWEDRYWHUMANDC-UHFFFAOYSA-N 1 1 440.551 4.338 20 0 IIADMO CCCSc1ncnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164912526 721765569 /nfs/dbraw/zinc/76/55/69/721765569.db2.gz YRWBTPKKYRDGTG-UHFFFAOYSA-N 1 1 439.585 4.170 20 0 IIADMO CCCSc1ncnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164912526 721765572 /nfs/dbraw/zinc/76/55/72/721765572.db2.gz YRWBTPKKYRDGTG-UHFFFAOYSA-N 1 1 439.585 4.170 20 0 IIADMO COc1cc(C)c2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912516 721766179 /nfs/dbraw/zinc/76/61/79/721766179.db2.gz YKWSYIGLOPIZSM-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO COc1cc(C)c2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912516 721766181 /nfs/dbraw/zinc/76/61/81/721766181.db2.gz YKWSYIGLOPIZSM-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]21 ZINC001165026972 721801290 /nfs/dbraw/zinc/80/12/90/721801290.db2.gz TUMWFCHZWPBZRX-FRFSOERESA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]21 ZINC001165024522 721801643 /nfs/dbraw/zinc/80/16/43/721801643.db2.gz LNRVCJQFWFHLTR-VNQPRFMTSA-N 1 1 442.341 4.460 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026635 721801672 /nfs/dbraw/zinc/80/16/72/721801672.db2.gz RQIQMYKPIBJRGN-HFSMHLIXSA-N 1 1 442.991 4.352 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026633 721801766 /nfs/dbraw/zinc/80/17/66/721801766.db2.gz RQIQMYKPIBJRGN-DSKINZAPSA-N 1 1 442.991 4.352 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncnc(C4CC4)c3CC2)n1 ZINC001164915382 721804042 /nfs/dbraw/zinc/80/40/42/721804042.db2.gz JPMWBTXFMZDVGZ-UHFFFAOYSA-N 1 1 436.629 4.423 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025852 721811543 /nfs/dbraw/zinc/81/15/43/721811543.db2.gz NZBWMGKAFSTSAS-DBVUQKKJSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029666 721813244 /nfs/dbraw/zinc/81/32/44/721813244.db2.gz ZYMXWXBMMREZMD-DKZVUGQWSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]21 ZINC001165026317 721822623 /nfs/dbraw/zinc/82/26/23/721822623.db2.gz OUISPOFZCRGSMW-NIRIFSCTSA-N 1 1 442.611 4.362 20 0 IIADMO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165025217 721824269 /nfs/dbraw/zinc/82/42/69/721824269.db2.gz MGJFADONTKJYGM-GRYUFTJMSA-N 1 1 429.568 4.284 20 0 IIADMO CCCSc1ncnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165020748 721831264 /nfs/dbraw/zinc/83/12/64/721831264.db2.gz DOVFGXVDQKGQQE-SXLOBPIMSA-N 1 1 427.618 4.119 20 0 IIADMO CCCSc1ncnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165020749 721831344 /nfs/dbraw/zinc/83/13/44/721831344.db2.gz DOVFGXVDQKGQQE-YSIASYRMSA-N 1 1 427.618 4.119 20 0 IIADMO O=C1Nc2c(cccc2F)C12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001165024143 721832898 /nfs/dbraw/zinc/83/28/98/721832898.db2.gz ZRNDVNWXJDEUAW-UHFFFAOYSA-N 1 1 442.538 4.269 20 0 IIADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CC1 ZINC001165016748 721834858 /nfs/dbraw/zinc/83/48/58/721834858.db2.gz HPWFWYMOSOKXGK-UHFFFAOYSA-N 1 1 434.581 4.166 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927410 721868428 /nfs/dbraw/zinc/86/84/28/721868428.db2.gz UYNUOOGLRWCQDK-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164927410 721868429 /nfs/dbraw/zinc/86/84/29/721868429.db2.gz UYNUOOGLRWCQDK-FGZHOGPDSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929252 721878908 /nfs/dbraw/zinc/87/89/08/721878908.db2.gz AWAVGJCEEBSSQJ-RBUKOAKNSA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001164929252 721878909 /nfs/dbraw/zinc/87/89/09/721878909.db2.gz AWAVGJCEEBSSQJ-RBUKOAKNSA-N 1 1 428.005 4.226 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929533 721879761 /nfs/dbraw/zinc/87/97/61/721879761.db2.gz BQHDMIHJEDBOCX-IAGOWNOFSA-N 1 1 439.654 4.123 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164929533 721879762 /nfs/dbraw/zinc/87/97/62/721879762.db2.gz BQHDMIHJEDBOCX-IAGOWNOFSA-N 1 1 439.654 4.123 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nnc(Cl)c5c4CCCC5)CC3)C2)cc1 ZINC001164939299 721925474 /nfs/dbraw/zinc/92/54/74/721925474.db2.gz HAGVHEPXAFUFQJ-UHFFFAOYSA-N 1 1 426.992 4.189 20 0 IIADMO COc1cc2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc2cc1OC ZINC001164938992 721928006 /nfs/dbraw/zinc/92/80/06/721928006.db2.gz GEESPKVRSBTZGQ-UHFFFAOYSA-N 1 1 447.579 4.432 20 0 IIADMO COc1cc2cnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)cc2cc1OC ZINC001164940614 721931908 /nfs/dbraw/zinc/93/19/08/721931908.db2.gz URPSVQWRLJEVQU-UHFFFAOYSA-N 1 1 447.579 4.432 20 0 IIADMO COc1cc2cnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)cc2cc1OC ZINC001164940614 721931910 /nfs/dbraw/zinc/93/19/10/721931910.db2.gz URPSVQWRLJEVQU-UHFFFAOYSA-N 1 1 447.579 4.432 20 0 IIADMO CCCSc1ncnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1OC ZINC001164940799 721933818 /nfs/dbraw/zinc/93/38/18/721933818.db2.gz FCORCQZHRGXQGC-UHFFFAOYSA-N 1 1 442.629 4.167 20 0 IIADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C3)OCCO4)c2c1-c1ccccc1 ZINC001165047814 721985220 /nfs/dbraw/zinc/98/52/20/721985220.db2.gz QVCKKLFWJNXKCE-UHFFFAOYSA-N 1 1 436.581 4.297 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164948666 721998230 /nfs/dbraw/zinc/99/82/30/721998230.db2.gz ADCUFYPQHOQONY-HSZRJFAPSA-N 1 1 432.572 4.209 20 0 IIADMO Clc1cc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)ccn1 ZINC001164960494 722053969 /nfs/dbraw/zinc/05/39/69/722053969.db2.gz PUKNBPBSFZAXBY-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO c1ccc(COc2cccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164960689 722059182 /nfs/dbraw/zinc/05/91/82/722059182.db2.gz HRPRDQKYNNDPJJ-UHFFFAOYSA-N 1 1 444.579 4.175 20 0 IIADMO Clc1cnc2cc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978192 722112102 /nfs/dbraw/zinc/11/21/02/722112102.db2.gz NTAZBNJOOBGGIR-IERDGZPVSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cnc2cc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2n1 ZINC001164978196 722112188 /nfs/dbraw/zinc/11/21/88/722112188.db2.gz NTAZBNJOOBGGIR-KKSFZXQISA-N 1 1 444.366 4.059 20 0 IIADMO COc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164973829 722118331 /nfs/dbraw/zinc/11/83/31/722118331.db2.gz HHQOLYZDNMOVCP-WZONZLPQSA-N 1 1 438.959 4.019 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980272 722131383 /nfs/dbraw/zinc/13/13/83/722131383.db2.gz MJRWSTPUSQNSHI-HKUYNNGSSA-N 1 1 428.989 4.380 20 0 IIADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1 ZINC001197305462 1126154602 /nfs/dbraw/zinc/15/46/02/1126154602.db2.gz ZQSLGZLZJWHTML-OAQYLSRUSA-N 1 1 431.330 4.196 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4NC(=O)[C@@H]3C2)n1 ZINC001164402692 718858427 /nfs/dbraw/zinc/85/84/27/718858427.db2.gz LHRQFWGEKMZZMR-QZTJIDSGSA-N 1 1 435.597 4.322 20 0 IIADMO c1ccc(CN2CCc3c(ncnc3N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001164627185 719074224 /nfs/dbraw/zinc/07/42/24/719074224.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 1 1 439.607 4.136 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nnc(-c3ccc(C)c(C)c3)c3ccccc31)CC2 ZINC001164689527 719739204 /nfs/dbraw/zinc/73/92/04/719739204.db2.gz GKAHWJVFXBYLPR-UHFFFAOYSA-N 1 1 443.595 4.094 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164700640 719816510 /nfs/dbraw/zinc/81/65/10/719816510.db2.gz LBPBOKDHSNELGV-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164700640 719816511 /nfs/dbraw/zinc/81/65/11/719816511.db2.gz LBPBOKDHSNELGV-UHFFFAOYSA-N 1 1 443.951 4.083 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cs1 ZINC001164702647 719816534 /nfs/dbraw/zinc/81/65/34/719816534.db2.gz SRMNICPKNVLUME-UHFFFAOYSA-N 1 1 427.618 4.446 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(N)=S)c4ccsc42)CC3)cs1 ZINC001164702961 719816968 /nfs/dbraw/zinc/81/69/68/719816968.db2.gz UAQRDWJDCLGZAU-UHFFFAOYSA-N 1 1 443.667 4.330 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164702072 719836970 /nfs/dbraw/zinc/83/69/70/719836970.db2.gz NOANPTKKIIPMQI-XMMPIXPASA-N 1 1 448.611 4.421 20 0 IIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)c1 ZINC001164697593 719896083 /nfs/dbraw/zinc/89/60/83/719896083.db2.gz LUGGGKBQJHMTDA-UHFFFAOYSA-N 1 1 432.593 4.175 20 0 IIADMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(-c2cccs2)n1 ZINC001164707715 719899388 /nfs/dbraw/zinc/89/93/88/719899388.db2.gz VZMQLAYOQHQKIK-UHFFFAOYSA-N 1 1 426.611 4.446 20 0 IIADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706710 719905891 /nfs/dbraw/zinc/90/58/91/719905891.db2.gz JZSLYOPEETYHDU-UHFFFAOYSA-N 1 1 427.401 4.279 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815800 720076471 /nfs/dbraw/zinc/07/64/71/720076471.db2.gz ZRDXBNPJBUBBCN-KKSFZXQISA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164715518 720111359 /nfs/dbraw/zinc/11/13/59/720111359.db2.gz GWWIOVZYYIMFDJ-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716990 720117420 /nfs/dbraw/zinc/11/74/20/720117420.db2.gz MXDTWSFFFFDAJC-JOCHJYFZSA-N 1 1 446.595 4.454 20 0 IIADMO CCOc1ccc(Cl)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716959 720122743 /nfs/dbraw/zinc/12/27/43/720122743.db2.gz MJOINFDHHGOIAJ-LJQANCHMSA-N 1 1 430.980 4.036 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164719110 720126432 /nfs/dbraw/zinc/12/64/32/720126432.db2.gz WHCDKLUABNPDTP-FQEVSTJZSA-N 1 1 435.597 4.108 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164811591 720137711 /nfs/dbraw/zinc/13/77/11/720137711.db2.gz MRMSQJYUKKSEDQ-IIBYNOLFSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164711722 720148674 /nfs/dbraw/zinc/14/86/74/720148674.db2.gz IKVUPYRZZNVASN-NRFANRHFSA-N 1 1 447.558 4.185 20 0 IIADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714627 720158374 /nfs/dbraw/zinc/15/83/74/720158374.db2.gz QWXBSGVJJVMBMX-OAQYLSRUSA-N 1 1 429.008 4.368 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714627 720158382 /nfs/dbraw/zinc/15/83/82/720158382.db2.gz QWXBSGVJJVMBMX-OAQYLSRUSA-N 1 1 429.008 4.368 20 0 IIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1-c1ccccc1)CCC2 ZINC001164814031 720222396 /nfs/dbraw/zinc/22/23/96/720222396.db2.gz RKHIVXCLMBYROQ-UHFFFAOYSA-N 1 1 437.975 4.209 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164726218 720317562 /nfs/dbraw/zinc/31/75/62/720317562.db2.gz YNYHKSRXWWECCQ-JTHBVZDNSA-N 1 1 438.620 4.036 20 0 IIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164724710 720375283 /nfs/dbraw/zinc/37/52/83/720375283.db2.gz LCQGAAYNKUIZAR-BJKOFHAPSA-N 1 1 434.547 4.454 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732517 720435839 /nfs/dbraw/zinc/43/58/39/720435839.db2.gz NYWCRVKFRGHINX-CTUHWIOQSA-N 1 1 428.584 4.257 20 0 IIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725728 720440738 /nfs/dbraw/zinc/44/07/38/720440738.db2.gz AWCHEQHXZBRGCF-RTWAWAEBSA-N 1 1 448.640 4.152 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722944 720477575 /nfs/dbraw/zinc/47/75/75/720477575.db2.gz BHCJYIKVIHTHDQ-MOPGFXCFSA-N 1 1 425.895 4.310 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732077 720489363 /nfs/dbraw/zinc/48/93/63/720489363.db2.gz YNSQESWRAKJTTP-IRXDYDNUSA-N 1 1 433.387 4.022 20 0 IIADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732077 720489380 /nfs/dbraw/zinc/48/93/80/720489380.db2.gz YNSQESWRAKJTTP-IRXDYDNUSA-N 1 1 433.387 4.022 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840749 720588154 /nfs/dbraw/zinc/58/81/54/720588154.db2.gz QOQICCMDPNRFAS-PCCBWWKXSA-N 1 1 449.603 4.003 20 0 IIADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164839219 720623320 /nfs/dbraw/zinc/62/33/20/720623320.db2.gz MJSRFKYMCDXAKP-SGIRGMQISA-N 1 1 446.599 4.117 20 0 IIADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840594 720638347 /nfs/dbraw/zinc/63/83/47/720638347.db2.gz PXDQKMSZOKJNKP-KIFXHHALSA-N 1 1 434.563 4.165 20 0 IIADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837781 720639184 /nfs/dbraw/zinc/63/91/84/720639184.db2.gz JJGRACVEXXMSGD-MZLICYQSSA-N 1 1 434.563 4.165 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837640 720651925 /nfs/dbraw/zinc/65/19/25/720651925.db2.gz DQEFEVSIYHNYIH-PWRODBHTSA-N 1 1 439.991 4.471 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164842690 720678191 /nfs/dbraw/zinc/67/81/91/720678191.db2.gz MQQUIYSNBGLGFH-GOSISDBHSA-N 1 1 442.991 4.155 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164841838 720690278 /nfs/dbraw/zinc/69/02/78/720690278.db2.gz JGYUBQDTILEQOJ-JOCHJYFZSA-N 1 1 437.584 4.297 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842307 720715588 /nfs/dbraw/zinc/71/55/88/720715588.db2.gz YCKKNPKBUSUZOR-QFIPXVFZSA-N 1 1 445.563 4.281 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)s1 ZINC001164841701 720723072 /nfs/dbraw/zinc/72/30/72/720723072.db2.gz VYPDNRHPKXRCPD-OAQYLSRUSA-N 1 1 449.624 4.477 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3OCCC[C@@]3(COC)C2)n1 ZINC001164847023 720828327 /nfs/dbraw/zinc/82/83/27/720828327.db2.gz HPMBBNWMFDOFNJ-JPYJTQIMSA-N 1 1 432.634 4.172 20 0 IIADMO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754862 720873616 /nfs/dbraw/zinc/87/36/16/720873616.db2.gz UFEJELRHYQBNIL-JYFHCDHNSA-N 1 1 435.616 4.059 20 0 IIADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755792 720874428 /nfs/dbraw/zinc/87/44/28/720874428.db2.gz YXJOMTMRKHSAMX-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO c1ccc2c(c1)ccnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751495 720874651 /nfs/dbraw/zinc/87/46/51/720874651.db2.gz KLBWTGGJTNNZAM-IGKIAQTJSA-N 1 1 428.580 4.385 20 0 IIADMO Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164750004 720882286 /nfs/dbraw/zinc/88/22/86/720882286.db2.gz IHNNPCXLFADIMS-ATIYNZHBSA-N 1 1 431.584 4.021 20 0 IIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757459 720885044 /nfs/dbraw/zinc/88/50/44/720885044.db2.gz VBKFUVOTYSLZON-IGKIAQTJSA-N 1 1 432.612 4.111 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164860640 720901932 /nfs/dbraw/zinc/90/19/32/720901932.db2.gz SHTNVENELRKUCY-XFAFFCHDSA-N 1 1 448.611 4.186 20 0 IIADMO Cc1csc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754645 720904224 /nfs/dbraw/zinc/90/42/24/720904224.db2.gz WQMIOPQPLSFJCJ-BWKNWUBXSA-N 1 1 449.624 4.150 20 0 IIADMO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945664 /nfs/dbraw/zinc/94/56/64/720945664.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 1 1 444.627 4.258 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945669 /nfs/dbraw/zinc/94/56/69/720945669.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 1 1 444.627 4.258 20 0 IIADMO CCOc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OCC ZINC001164856972 720963157 /nfs/dbraw/zinc/96/31/57/720963157.db2.gz DFKLUAUAWZHERR-KRWDZBQOSA-N 1 1 438.576 4.045 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@@H]2C ZINC001164856441 721009129 /nfs/dbraw/zinc/00/91/29/721009129.db2.gz AIJQRUDCOVQMKM-LJQANCHMSA-N 1 1 433.556 4.057 20 0 IIADMO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)c1 ZINC001164866272 721067727 /nfs/dbraw/zinc/06/77/27/721067727.db2.gz DKQMEOWRVAHWSU-ZWKOTPCHSA-N 1 1 449.605 4.295 20 0 IIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865532 721077979 /nfs/dbraw/zinc/07/79/79/721077979.db2.gz MLSXUSGZMNFOJV-VQTJNVASSA-N 1 1 444.913 4.308 20 0 IIADMO c1ccc(-c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164865381 721083522 /nfs/dbraw/zinc/08/35/22/721083522.db2.gz KQNGVEJGKCDRJY-XZOQPEGZSA-N 1 1 437.547 4.172 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772228 721114064 /nfs/dbraw/zinc/11/40/64/721114064.db2.gz UNAVBKOTMZRMGA-ROUUACIJSA-N 1 1 431.918 4.125 20 0 IIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164878853 721259837 /nfs/dbraw/zinc/25/98/37/721259837.db2.gz VTMMUMUSWGULBI-RDPSFJRHSA-N 1 1 427.976 4.414 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)nc1 ZINC001164873698 721315401 /nfs/dbraw/zinc/31/54/01/721315401.db2.gz AFQOVBSTLVCQHF-KELGSRBJSA-N 1 1 436.600 4.476 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777338 721333651 /nfs/dbraw/zinc/33/36/51/721333651.db2.gz MAYWAEOFKGLPIL-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777338 721333654 /nfs/dbraw/zinc/33/36/54/721333654.db2.gz MAYWAEOFKGLPIL-HXUWFJFHSA-N 1 1 425.360 4.112 20 0 IIADMO CSc1cc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777298 721346035 /nfs/dbraw/zinc/34/60/35/721346035.db2.gz FUERDCMMZNHVCX-NRFANRHFSA-N 1 1 437.009 4.181 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786196 721367730 /nfs/dbraw/zinc/36/77/30/721367730.db2.gz WSNZUHILNMQDGY-SANMLTNESA-N 1 1 449.599 4.477 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787586 721368307 /nfs/dbraw/zinc/36/83/07/721368307.db2.gz ZJCWODITMOXPLD-HSZRJFAPSA-N 1 1 445.995 4.040 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787586 721368310 /nfs/dbraw/zinc/36/83/10/721368310.db2.gz ZJCWODITMOXPLD-HSZRJFAPSA-N 1 1 445.995 4.040 20 0 IIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789195 721401668 /nfs/dbraw/zinc/40/16/68/721401668.db2.gz UCHOHGSEBMNCNY-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164789195 721401672 /nfs/dbraw/zinc/40/16/72/721401672.db2.gz UCHOHGSEBMNCNY-IYBDPMFKSA-N 1 1 447.942 4.367 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788914 721426078 /nfs/dbraw/zinc/42/60/78/721426078.db2.gz UEZIJRBNPAJGMG-ZIAGYGMSSA-N 1 1 431.924 4.086 20 0 IIADMO Cc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787478 721434849 /nfs/dbraw/zinc/43/48/49/721434849.db2.gz RNQWLGPGGIDMII-OALUTQOASA-N 1 1 440.016 4.362 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164787761 721457803 /nfs/dbraw/zinc/45/78/03/721457803.db2.gz SBMZIPAIXUJPIX-SFHVURJKSA-N 1 1 440.053 4.191 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164789953 721458909 /nfs/dbraw/zinc/45/89/09/721458909.db2.gz YPTOLPQSIREEQJ-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164791771 721465185 /nfs/dbraw/zinc/46/51/85/721465185.db2.gz YVKVBBVCZYCOJQ-LJQANCHMSA-N 1 1 447.023 4.259 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793364 721490519 /nfs/dbraw/zinc/49/05/19/721490519.db2.gz QUFZYADMSNLWSE-UHFFFAOYSA-N 1 1 442.991 4.496 20 0 IIADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792912 721495160 /nfs/dbraw/zinc/49/51/60/721495160.db2.gz VKSMMEBXVZXLKN-UHFFFAOYSA-N 1 1 445.567 4.083 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164795761 721500340 /nfs/dbraw/zinc/50/03/40/721500340.db2.gz LTVAQXZAMZKGSO-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)s1 ZINC001164795447 721502422 /nfs/dbraw/zinc/50/24/22/721502422.db2.gz HEVARANMPADKIP-UHFFFAOYSA-N 1 1 434.613 4.493 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@H+]3C2)c1 ZINC001164903838 721531922 /nfs/dbraw/zinc/53/19/22/721531922.db2.gz DGTIDJIBRGKHEY-UYAOXDASSA-N 1 1 429.499 4.106 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164808940 721540087 /nfs/dbraw/zinc/54/00/87/721540087.db2.gz SNJNKXIAODVESJ-LGVFNWMJSA-N 1 1 435.959 4.060 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@H+]3C2)c1 ZINC001164907141 721541743 /nfs/dbraw/zinc/54/17/43/721541743.db2.gz MGHPCJDWMMWTOT-PKOBYXMFSA-N 1 1 448.876 4.309 20 0 IIADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903382 721550310 /nfs/dbraw/zinc/55/03/10/721550310.db2.gz CGPPRJIJNXLSOF-WMZOPIPTSA-N 1 1 429.927 4.147 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@H]12 ZINC001164805059 721551885 /nfs/dbraw/zinc/55/18/85/721551885.db2.gz KQAYNAPWHKAVJV-UEXGIBASSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@H]12 ZINC001164805059 721551890 /nfs/dbraw/zinc/55/18/90/721551890.db2.gz KQAYNAPWHKAVJV-UEXGIBASSA-N 1 1 444.366 4.200 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c32)C1 ZINC001164807213 721552619 /nfs/dbraw/zinc/55/26/19/721552619.db2.gz QNRCZNKHTTXRJA-DCSJCSGWSA-N 1 1 449.624 4.079 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c32)C1 ZINC001164807213 721552625 /nfs/dbraw/zinc/55/26/25/721552625.db2.gz QNRCZNKHTTXRJA-DCSJCSGWSA-N 1 1 449.624 4.079 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164808030 721555836 /nfs/dbraw/zinc/55/58/36/721555836.db2.gz UMGSWTJZWNQKGT-BHDDXSALSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164808030 721555839 /nfs/dbraw/zinc/55/58/39/721555839.db2.gz UMGSWTJZWNQKGT-BHDDXSALSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805426 721557469 /nfs/dbraw/zinc/55/74/69/721557469.db2.gz NUSCRHWFIQIOBG-HDMKZQKVSA-N 1 1 427.763 4.305 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805426 721557475 /nfs/dbraw/zinc/55/74/75/721557475.db2.gz NUSCRHWFIQIOBG-HDMKZQKVSA-N 1 1 427.763 4.305 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2cc1C ZINC001164804659 721565506 /nfs/dbraw/zinc/56/55/06/721565506.db2.gz LHVPAGSBVZLPFK-FSSWDIPSSA-N 1 1 437.975 4.163 20 0 IIADMO Cc1cc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2cc1C ZINC001164804659 721565508 /nfs/dbraw/zinc/56/55/08/721565508.db2.gz LHVPAGSBVZLPFK-FSSWDIPSSA-N 1 1 437.975 4.163 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c1 ZINC001164807658 721581712 /nfs/dbraw/zinc/58/17/12/721581712.db2.gz PDOYQTDXIQJVCB-RMTZWNOUSA-N 1 1 429.568 4.024 20 0 IIADMO Cc1ccc(C)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c1 ZINC001164807658 721581714 /nfs/dbraw/zinc/58/17/14/721581714.db2.gz PDOYQTDXIQJVCB-RMTZWNOUSA-N 1 1 429.568 4.024 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164806275 721584891 /nfs/dbraw/zinc/58/48/91/721584891.db2.gz MSWPOKKFSRPIGN-FBLLAGFSSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164806275 721584893 /nfs/dbraw/zinc/58/48/93/721584893.db2.gz MSWPOKKFSRPIGN-FBLLAGFSSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806287 721589288 /nfs/dbraw/zinc/58/92/88/721589288.db2.gz MUNOCBFQZKPDCG-MQSCRBSSSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806287 721589289 /nfs/dbraw/zinc/58/92/89/721589289.db2.gz MUNOCBFQZKPDCG-MQSCRBSSSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@H]12 ZINC001164805809 721590099 /nfs/dbraw/zinc/59/00/99/721590099.db2.gz LXYBRPINQOUPJJ-LMMKCTJWSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@H]12 ZINC001164805809 721590102 /nfs/dbraw/zinc/59/01/02/721590102.db2.gz LXYBRPINQOUPJJ-LMMKCTJWSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164800855 721591593 /nfs/dbraw/zinc/59/15/93/721591593.db2.gz CVVIPGSOGYOQEW-SJBKTWHCSA-N 1 1 448.945 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164800855 721591595 /nfs/dbraw/zinc/59/15/95/721591595.db2.gz CVVIPGSOGYOQEW-SJBKTWHCSA-N 1 1 448.945 4.032 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164803391 721591799 /nfs/dbraw/zinc/59/17/99/721591799.db2.gz HXXIGQXDVBLHLM-NJDAHSKKSA-N 1 1 448.945 4.421 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164803391 721591803 /nfs/dbraw/zinc/59/18/03/721591803.db2.gz HXXIGQXDVBLHLM-NJDAHSKKSA-N 1 1 448.945 4.421 20 0 IIADMO CCOc1ccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910761 721755997 /nfs/dbraw/zinc/75/59/97/721755997.db2.gz RDVJSWDDPMCQEC-UHFFFAOYSA-N 1 1 429.524 4.211 20 0 IIADMO CCOc1ccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910761 721756000 /nfs/dbraw/zinc/75/60/00/721756000.db2.gz RDVJSWDDPMCQEC-UHFFFAOYSA-N 1 1 429.524 4.211 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1C ZINC001164912240 721764515 /nfs/dbraw/zinc/76/45/15/721764515.db2.gz VZJUSMOHGRDERJ-UHFFFAOYSA-N 1 1 440.931 4.013 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1C ZINC001164912240 721764520 /nfs/dbraw/zinc/76/45/20/721764520.db2.gz VZJUSMOHGRDERJ-UHFFFAOYSA-N 1 1 440.931 4.013 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164910523 721765123 /nfs/dbraw/zinc/76/51/23/721765123.db2.gz HLLBNXXPWFKKMA-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164910523 721765128 /nfs/dbraw/zinc/76/51/28/721765128.db2.gz HLLBNXXPWFKKMA-UHFFFAOYSA-N 1 1 434.874 4.342 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020281 721799681 /nfs/dbraw/zinc/79/96/81/721799681.db2.gz DVAWBTKPPWPBSO-PWIZWCRZSA-N 1 1 428.964 4.044 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]21 ZINC001165026975 721801311 /nfs/dbraw/zinc/80/13/11/721801311.db2.gz TUMWFCHZWPBZRX-YSVLISHTSA-N 1 1 442.341 4.460 20 0 IIADMO COc1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165026402 721816795 /nfs/dbraw/zinc/81/67/95/721816795.db2.gz PTLCXHVNOMOJTJ-WPYKKVEZSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)c1C ZINC001165024776 721817161 /nfs/dbraw/zinc/81/71/61/721817161.db2.gz KPBRSLUNNZYLMT-QXAKKESOSA-N 1 1 435.950 4.424 20 0 IIADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165026782 721823445 /nfs/dbraw/zinc/82/34/45/721823445.db2.gz QGSSBCXLQBCUML-TUSQITKMSA-N 1 1 447.627 4.086 20 0 IIADMO COc1ccccc1-c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165026127 721825606 /nfs/dbraw/zinc/82/56/06/721825606.db2.gz OFEQIUFAMBTSAY-KWOQKUFVSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]21 ZINC001165023242 721828246 /nfs/dbraw/zinc/82/82/46/721828246.db2.gz IIXZRWUDIUDSQF-JHMXWDHMSA-N 1 1 440.595 4.159 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931232 721856330 /nfs/dbraw/zinc/85/63/30/721856330.db2.gz UJSRPRKFZBQDGA-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164931232 721856331 /nfs/dbraw/zinc/85/63/31/721856331.db2.gz UJSRPRKFZBQDGA-FCHUYYIVSA-N 1 1 439.966 4.304 20 0 IIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921540 721872754 /nfs/dbraw/zinc/87/27/54/721872754.db2.gz DDYVTVSPCLYLKU-ROUUACIJSA-N 1 1 428.005 4.226 20 0 IIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164921540 721872756 /nfs/dbraw/zinc/87/27/56/721872756.db2.gz DDYVTVSPCLYLKU-ROUUACIJSA-N 1 1 428.005 4.226 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164931899 721879463 /nfs/dbraw/zinc/87/94/63/721879463.db2.gz GOTLTZJGPOHCDG-IRXDYDNUSA-N 1 1 427.643 4.251 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164931899 721879465 /nfs/dbraw/zinc/87/94/65/721879465.db2.gz GOTLTZJGPOHCDG-IRXDYDNUSA-N 1 1 427.643 4.251 20 0 IIADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933019 721885623 /nfs/dbraw/zinc/88/56/23/721885623.db2.gz KVGKIPUPECEKDS-JWQCQUIFSA-N 1 1 429.568 4.151 20 0 IIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001164933019 721885625 /nfs/dbraw/zinc/88/56/25/721885625.db2.gz KVGKIPUPECEKDS-JWQCQUIFSA-N 1 1 429.568 4.151 20 0 IIADMO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939297 721925410 /nfs/dbraw/zinc/92/54/10/721925410.db2.gz GXRMIFZMBQEOAE-UHFFFAOYSA-N 1 1 445.563 4.201 20 0 IIADMO COc1cc2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164939323 721927493 /nfs/dbraw/zinc/92/74/93/721927493.db2.gz ILXFEJYYYRWLTI-UHFFFAOYSA-N 1 1 447.579 4.432 20 0 IIADMO COc1cc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164939323 721927496 /nfs/dbraw/zinc/92/74/96/721927496.db2.gz ILXFEJYYYRWLTI-UHFFFAOYSA-N 1 1 447.579 4.432 20 0 IIADMO COc1ccc(-c2cc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ncn2)cc1 ZINC001164939523 721931270 /nfs/dbraw/zinc/93/12/70/721931270.db2.gz LWYRNILXYXDLTH-UHFFFAOYSA-N 1 1 444.579 4.332 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccccc5F)nn4)CC3)C2)cc1 ZINC001164940688 721931804 /nfs/dbraw/zinc/93/18/04/721931804.db2.gz WZTZHWDHHDTPSN-UHFFFAOYSA-N 1 1 432.543 4.463 20 0 IIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165046184 721961966 /nfs/dbraw/zinc/96/19/66/721961966.db2.gz IHHQEHCDWDMDON-UHFFFAOYSA-N 1 1 440.931 4.132 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052192 721999604 /nfs/dbraw/zinc/99/96/04/721999604.db2.gz OVIQBYZYVKGXTF-INIZCTEOSA-N 1 1 440.539 4.216 20 0 IIADMO CCOC(=O)c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2ccccc21 ZINC001164952566 722017155 /nfs/dbraw/zinc/01/71/55/722017155.db2.gz NSJHNPDAFXUKKL-UHFFFAOYSA-N 1 1 430.552 4.299 20 0 IIADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055239 722019775 /nfs/dbraw/zinc/01/97/75/722019775.db2.gz NLRWYUJLEINSTC-UHFFFAOYSA-N 1 1 430.339 4.335 20 0 IIADMO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)n1 ZINC001164956036 722020361 /nfs/dbraw/zinc/02/03/61/722020361.db2.gz UQYHRWHYQPFQNH-UHFFFAOYSA-N 1 1 432.572 4.317 20 0 IIADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963867 722054947 /nfs/dbraw/zinc/05/49/47/722054947.db2.gz OXRZOQMQDLBTNZ-UHFFFAOYSA-N 1 1 437.975 4.106 20 0 IIADMO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164972372 722091502 /nfs/dbraw/zinc/09/15/02/722091502.db2.gz GPBVLCILUFWUBR-LJQANCHMSA-N 1 1 431.024 4.244 20 0 IIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984738 722099496 /nfs/dbraw/zinc/09/94/96/722099496.db2.gz UHTQXVFDDFEHOJ-DYESRHJHSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980723 722099807 /nfs/dbraw/zinc/09/98/07/722099807.db2.gz KAPJTMXTYGNODG-JXFKEZNVSA-N 1 1 444.366 4.059 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980274 722132215 /nfs/dbraw/zinc/13/22/15/722132215.db2.gz MJRWSTPUSQNSHI-MJGOQNOKSA-N 1 1 428.989 4.380 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982585 722146682 /nfs/dbraw/zinc/14/66/82/722146682.db2.gz RRJCHVONZCLQQR-ILBGXUMGSA-N 1 1 446.620 4.496 20 0 IIADMO Fc1cccc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164977900 722155843 /nfs/dbraw/zinc/15/58/43/722155843.db2.gz ZDWREODKQGXMOG-UWJYYQICSA-N 1 1 426.923 4.150 20 0 IIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618472 719077839 /nfs/dbraw/zinc/07/78/39/719077839.db2.gz AQBOBJIXIOOIQD-SJORKVTESA-N 1 1 447.004 4.129 20 0 IIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629150 719082471 /nfs/dbraw/zinc/08/24/71/719082471.db2.gz WAHSPHWUTOKWGL-HOTGVXAUSA-N 1 1 435.355 4.061 20 0 IIADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164622308 719102975 /nfs/dbraw/zinc/10/29/75/719102975.db2.gz BROUMYALJZRZOA-RDPSFJRHSA-N 1 1 430.552 4.262 20 0 IIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)[C@H]3C2)cc1 ZINC001164622287 719103936 /nfs/dbraw/zinc/10/39/36/719103936.db2.gz BPUZZBJZTZIGDD-VWNXMTODSA-N 1 1 442.563 4.406 20 0 IIADMO Cc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164628786 719106779 /nfs/dbraw/zinc/10/67/79/719106779.db2.gz OFPUATUUPRARDF-GOTSBHOMSA-N 1 1 427.552 4.138 20 0 IIADMO CC(C)n1nc(CN(C)C)c2c1CN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164649740 719311749 /nfs/dbraw/zinc/31/17/49/719311749.db2.gz RXVGDDDCLBNHAC-UHFFFAOYSA-N 1 1 447.562 4.020 20 0 IIADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)cc1 ZINC001164666893 719446420 /nfs/dbraw/zinc/44/64/20/719446420.db2.gz DSSXQMQNQNZCME-LEWJYISDSA-N 1 1 443.576 4.248 20 0 IIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672594 719519004 /nfs/dbraw/zinc/51/90/04/719519004.db2.gz LNDVIZDTTILJKP-UHFFFAOYSA-N 1 1 437.563 4.266 20 0 IIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672594 719519007 /nfs/dbraw/zinc/51/90/07/719519007.db2.gz LNDVIZDTTILJKP-UHFFFAOYSA-N 1 1 437.563 4.266 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2COC4(C)C)CC3)cs1 ZINC001164692803 719806419 /nfs/dbraw/zinc/80/64/19/719806419.db2.gz NEGKTVNTHMJMSI-UHFFFAOYSA-N 1 1 434.009 4.295 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696224 719895153 /nfs/dbraw/zinc/89/51/53/719895153.db2.gz CNHTXXAFPUACPF-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO COc1cccc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696224 719895154 /nfs/dbraw/zinc/89/51/54/719895154.db2.gz CNHTXXAFPUACPF-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO Cc1nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(Cl)c1C ZINC001164699330 719895471 /nfs/dbraw/zinc/89/54/71/719895471.db2.gz ZYRKUJCUJYMSCK-UHFFFAOYSA-N 1 1 442.963 4.225 20 0 IIADMO FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707691 719907242 /nfs/dbraw/zinc/90/72/42/719907242.db2.gz UZNFPFVOTYERBY-UHFFFAOYSA-N 1 1 429.920 4.093 20 0 IIADMO CCO[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164711561 720065542 /nfs/dbraw/zinc/06/55/42/720065542.db2.gz IKDZGEQQPNPNPX-WOIUINJBSA-N 1 1 438.597 4.193 20 0 IIADMO CCO[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@H]12 ZINC001164711554 720065631 /nfs/dbraw/zinc/06/56/31/720065631.db2.gz IKDZGEQQPNPNPX-JQVVWYNYSA-N 1 1 438.597 4.193 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164712947 720105092 /nfs/dbraw/zinc/10/50/92/720105092.db2.gz ZASBPLJEWVUREV-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164715560 720108059 /nfs/dbraw/zinc/10/80/59/720108059.db2.gz HXXLMOJLFASXTG-LJQANCHMSA-N 1 1 426.992 4.126 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164814899 720113969 /nfs/dbraw/zinc/11/39/69/720113969.db2.gz TYKNDWBAFXDWIX-KEWLPNKHSA-N 1 1 426.630 4.001 20 0 IIADMO CCc1c(Cl)nnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1CC ZINC001164717408 720120195 /nfs/dbraw/zinc/12/01/95/720120195.db2.gz ONEZIEDWISHRSY-LJQANCHMSA-N 1 1 444.023 4.157 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164718038 720122110 /nfs/dbraw/zinc/12/21/10/720122110.db2.gz QPDAVAXQGHTZIB-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164714911 720126671 /nfs/dbraw/zinc/12/66/71/720126671.db2.gz FDXGROYIUTZFQZ-GOSISDBHSA-N 1 1 433.021 4.359 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164711746 720135065 /nfs/dbraw/zinc/13/50/65/720135065.db2.gz JLAYFBWBAZHALG-FQEVSTJZSA-N 1 1 448.615 4.158 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164713030 720148996 /nfs/dbraw/zinc/14/89/96/720148996.db2.gz PDHNDUHLRXZPSG-OAQYLSRUSA-N 1 1 449.624 4.416 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001164817477 720153175 /nfs/dbraw/zinc/15/31/75/720153175.db2.gz PNWJYUYZHFYTIM-SQJMNOBHSA-N 1 1 442.003 4.499 20 0 IIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714621 720157701 /nfs/dbraw/zinc/15/77/01/720157701.db2.gz QWXBSGVJJVMBMX-NRFANRHFSA-N 1 1 429.008 4.368 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714621 720157706 /nfs/dbraw/zinc/15/77/06/720157706.db2.gz QWXBSGVJJVMBMX-NRFANRHFSA-N 1 1 429.008 4.368 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164817974 720159583 /nfs/dbraw/zinc/15/95/83/720159583.db2.gz QSYVHYAMNAPYOI-FIPFOOKPSA-N 1 1 442.607 4.405 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)C2 ZINC001164813691 720166919 /nfs/dbraw/zinc/16/69/19/720166919.db2.gz DMRXKGBDBQLAME-GAJHUEQPSA-N 1 1 446.954 4.246 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818448 720179883 /nfs/dbraw/zinc/17/98/83/720179883.db2.gz SVCGEMYDMDQKFP-JPYJTQIMSA-N 1 1 430.955 4.121 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814144 720201563 /nfs/dbraw/zinc/20/15/63/720201563.db2.gz SYQIJZLRJDDRKV-AZUAARDMSA-N 1 1 425.951 4.040 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164730520 720354120 /nfs/dbraw/zinc/35/41/20/720354120.db2.gz ZZXQSGRTTCLFTA-IRXDYDNUSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164730520 720354123 /nfs/dbraw/zinc/35/41/23/720354123.db2.gz ZZXQSGRTTCLFTA-IRXDYDNUSA-N 1 1 433.865 4.215 20 0 IIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725723 720439778 /nfs/dbraw/zinc/43/97/78/720439778.db2.gz AWCHEQHXZBRGCF-LEWJYISDSA-N 1 1 448.640 4.152 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730943 720449550 /nfs/dbraw/zinc/44/95/50/720449550.db2.gz JXLKOIVWOOBNHU-MOPGFXCFSA-N 1 1 445.901 4.085 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730943 720449556 /nfs/dbraw/zinc/44/95/56/720449556.db2.gz JXLKOIVWOOBNHU-MOPGFXCFSA-N 1 1 445.901 4.085 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732042 720476692 /nfs/dbraw/zinc/47/66/92/720476692.db2.gz YIPIAFBWSHIOHR-QZTJIDSGSA-N 1 1 425.895 4.310 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164834508 720492492 /nfs/dbraw/zinc/49/24/92/720492492.db2.gz SUYWPKSRWRQMJT-SFTDATJTSA-N 1 1 436.625 4.476 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834559 720533591 /nfs/dbraw/zinc/53/35/91/720533591.db2.gz DUSSLJNEDMRFPO-AUSJPIAWSA-N 1 1 446.933 4.136 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)CC[C@@H]21 ZINC001164835001 720539042 /nfs/dbraw/zinc/53/90/42/720539042.db2.gz GOJVQSOZTKDMAB-RNHFSVANSA-N 1 1 441.583 4.199 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1C ZINC001164834028 720566389 /nfs/dbraw/zinc/56/63/89/720566389.db2.gz CGBIRMGYWIDJLR-XQBPLPMBSA-N 1 1 439.007 4.474 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4cccc(Cl)c4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837165 720605607 /nfs/dbraw/zinc/60/56/07/720605607.db2.gz HIJTUKQXIQVSNZ-UNWVZKJWSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]21 ZINC001164844128 720621633 /nfs/dbraw/zinc/62/16/33/720621633.db2.gz YXOWQIAIXHJZRF-ACRUOGEOSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(SCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839312 720631918 /nfs/dbraw/zinc/63/19/18/720631918.db2.gz NEXSMUNGICZNFR-XPWALMASSA-N 1 1 448.640 4.343 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164840406 720689210 /nfs/dbraw/zinc/68/92/10/720689210.db2.gz DMGAGMLEBALSPX-DEOSSOPVSA-N 1 1 444.579 4.316 20 0 IIADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741668 720827733 /nfs/dbraw/zinc/82/77/33/720827733.db2.gz OARKKHAFAARZBZ-XPWALMASSA-N 1 1 449.002 4.373 20 0 IIADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741672 720827904 /nfs/dbraw/zinc/82/79/04/720827904.db2.gz OARKKHAFAARZBZ-YTFSRNRJSA-N 1 1 449.002 4.373 20 0 IIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739999 720840244 /nfs/dbraw/zinc/84/02/44/720840244.db2.gz BKVSGGKUNIDVQK-KCZVDYSFSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751884 720857104 /nfs/dbraw/zinc/85/71/04/720857104.db2.gz RLECFMPIXZAMFX-QHAWAJNXSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755516 720868831 /nfs/dbraw/zinc/86/88/31/720868831.db2.gz YCYNDEWIPCTINY-OFVILXPXSA-N 1 1 449.624 4.150 20 0 IIADMO CC(C)Oc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758167 720894538 /nfs/dbraw/zinc/89/45/38/720894538.db2.gz XIXDLPKQRPNPPD-BVAGGSTKSA-N 1 1 436.600 4.019 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752834 720898096 /nfs/dbraw/zinc/89/80/96/720898096.db2.gz GAZOLMDQDAXUCR-GJZUVCINSA-N 1 1 431.584 4.021 20 0 IIADMO CSc1nc(Cl)cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863941 720927586 /nfs/dbraw/zinc/92/75/86/720927586.db2.gz ZWVBKJOJURGVJK-LBPRGKRZSA-N 1 1 430.956 4.015 20 0 IIADMO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753745 720934094 /nfs/dbraw/zinc/93/40/94/720934094.db2.gz SLYYTYWSFIQRGP-JYFHCDHNSA-N 1 1 435.616 4.059 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@@H]2C ZINC001164859659 721001981 /nfs/dbraw/zinc/00/19/81/721001981.db2.gz KYACPZIVWUTOCT-GOSISDBHSA-N 1 1 427.556 4.310 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@@H]2C ZINC001164860928 721016653 /nfs/dbraw/zinc/01/66/53/721016653.db2.gz LVEYTJVFWQBEJL-OAHLLOKOSA-N 1 1 433.984 4.308 20 0 IIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763829 721028599 /nfs/dbraw/zinc/02/85/99/721028599.db2.gz LSDOSOLBTAUECL-ZJSXRUAMSA-N 1 1 442.991 4.071 20 0 IIADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862041 721033994 /nfs/dbraw/zinc/03/39/94/721033994.db2.gz KOQRJHHDJJJEKG-UHFFFAOYSA-N 1 1 447.704 4.091 20 0 IIADMO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)c1 ZINC001164866271 721067590 /nfs/dbraw/zinc/06/75/90/721067590.db2.gz DKQMEOWRVAHWSU-ROUUACIJSA-N 1 1 449.605 4.295 20 0 IIADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865461 721076799 /nfs/dbraw/zinc/07/67/99/721076799.db2.gz LLRIGQZORBRNNQ-XZOQPEGZSA-N 1 1 437.547 4.172 20 0 IIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866653 721113498 /nfs/dbraw/zinc/11/34/98/721113498.db2.gz UNHVTTFRYXEDQE-RTBURBONSA-N 1 1 444.913 4.308 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868855 721195091 /nfs/dbraw/zinc/19/50/91/721195091.db2.gz OGEYTZZPBZCJCY-OALUTQOASA-N 1 1 434.918 4.032 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868857 721195779 /nfs/dbraw/zinc/19/57/79/721195779.db2.gz OGEYTZZPBZCJCY-RTBURBONSA-N 1 1 434.918 4.032 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)s1 ZINC001164772335 721212723 /nfs/dbraw/zinc/21/27/23/721212723.db2.gz SHRVXHCNVQEOKW-UXHICEINSA-N 1 1 444.608 4.359 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760719 721248519 /nfs/dbraw/zinc/24/85/19/721248519.db2.gz GHZKTCHNSIYOFA-IAGOWNOFSA-N 1 1 447.917 4.232 20 0 IIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164781917 721426324 /nfs/dbraw/zinc/42/63/24/721426324.db2.gz DVECGTCNSDVLCJ-HDICACEKSA-N 1 1 448.621 4.395 20 0 IIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164781917 721426327 /nfs/dbraw/zinc/42/63/27/721426327.db2.gz DVECGTCNSDVLCJ-HDICACEKSA-N 1 1 448.621 4.395 20 0 IIADMO Clc1ccc(-c2nc3c(c(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164786367 721432946 /nfs/dbraw/zinc/43/29/46/721432946.db2.gz OPFBDSZQXOMMKJ-OKILXGFUSA-N 1 1 444.029 4.372 20 0 IIADMO Clc1ccc(-c2nc3c(c(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164786367 721432948 /nfs/dbraw/zinc/43/29/48/721432948.db2.gz OPFBDSZQXOMMKJ-OKILXGFUSA-N 1 1 444.029 4.372 20 0 IIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)n1 ZINC001164782773 721435755 /nfs/dbraw/zinc/43/57/55/721435755.db2.gz IBJAZARBCFNNGL-BGYRXZFFSA-N 1 1 443.576 4.234 20 0 IIADMO c1csc(C[N@H+]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)n1 ZINC001164782773 721435758 /nfs/dbraw/zinc/43/57/58/721435758.db2.gz IBJAZARBCFNNGL-BGYRXZFFSA-N 1 1 443.576 4.234 20 0 IIADMO c1csc(C[NH+]2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)n1 ZINC001164782777 721436495 /nfs/dbraw/zinc/43/64/95/721436495.db2.gz IBJAZARBCFNNGL-WOJBJXKFSA-N 1 1 443.576 4.234 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164786871 721452617 /nfs/dbraw/zinc/45/26/17/721452617.db2.gz OEPDSEZFEUPWEH-FQEVSTJZSA-N 1 1 444.645 4.042 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164789382 721456070 /nfs/dbraw/zinc/45/60/70/721456070.db2.gz XOBCZRALHAKKHK-IBGZPJMESA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164782796 721460752 /nfs/dbraw/zinc/46/07/52/721460752.db2.gz CDNPZTTVGULWSV-OAQYLSRUSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nccc1SC)CC2 ZINC001164784040 721462336 /nfs/dbraw/zinc/46/23/36/721462336.db2.gz GRULHSOCEXPLGU-SFHVURJKSA-N 1 1 440.053 4.191 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888240 721465458 /nfs/dbraw/zinc/46/54/58/721465458.db2.gz FKXUPJXDGQVQDM-RTBURBONSA-N 1 1 443.661 4.233 20 0 IIADMO CCOC(=O)c1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1Cl ZINC001164795151 721498480 /nfs/dbraw/zinc/49/84/80/721498480.db2.gz FLPBSKCGJOGPJK-UHFFFAOYSA-N 1 1 428.964 4.188 20 0 IIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2)C1 ZINC001164796376 721500026 /nfs/dbraw/zinc/50/00/26/721500026.db2.gz SDRDUVBZWNURGT-OAQYLSRUSA-N 1 1 447.627 4.230 20 0 IIADMO COC(=O)c1cccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc21 ZINC001164795414 721502207 /nfs/dbraw/zinc/50/22/07/721502207.db2.gz GLZHMCJAFOVRHO-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164796524 721524815 /nfs/dbraw/zinc/52/48/15/721524815.db2.gz ZKIMPZFUSZKBEW-TUNNFDKTSA-N 1 1 426.923 4.291 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904639 721553633 /nfs/dbraw/zinc/55/36/33/721553633.db2.gz DZOTXWXLIGDYRS-TZIWHRDSSA-N 1 1 441.510 4.173 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)o2)cc1 ZINC001164906571 721555094 /nfs/dbraw/zinc/55/50/94/721555094.db2.gz KCKUPUHNTLCLOM-TZIWHRDSSA-N 1 1 445.498 4.074 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@H]21 ZINC001164798639 721566821 /nfs/dbraw/zinc/56/68/21/721566821.db2.gz BROBOJWNLZUDGY-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@H]21 ZINC001164798639 721566826 /nfs/dbraw/zinc/56/68/26/721566826.db2.gz BROBOJWNLZUDGY-CQOQZXRMSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164807667 721583267 /nfs/dbraw/zinc/58/32/67/721583267.db2.gz PEXWEJLRSIQHMV-ARNLJNQMSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164807667 721583269 /nfs/dbraw/zinc/58/32/69/721583269.db2.gz PEXWEJLRSIQHMV-ARNLJNQMSA-N 1 1 448.542 4.063 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806174 721587166 /nfs/dbraw/zinc/58/71/66/721587166.db2.gz MCNYPMHCESGMAB-WMTXJRDZSA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806174 721587167 /nfs/dbraw/zinc/58/71/67/721587167.db2.gz MCNYPMHCESGMAB-WMTXJRDZSA-N 1 1 447.608 4.032 20 0 IIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905621 721587521 /nfs/dbraw/zinc/58/75/21/721587521.db2.gz KGLIZPQLPNQUFB-HSZRJFAPSA-N 1 1 444.526 4.170 20 0 IIADMO FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905353 721691450 /nfs/dbraw/zinc/69/14/50/721691450.db2.gz IRNIENGUWPBDGY-HSZRJFAPSA-N 1 1 437.494 4.402 20 0 IIADMO FC1(F)CCN(c2ncnc3ccc(Cl)cc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906213 721692172 /nfs/dbraw/zinc/69/21/72/721692172.db2.gz MERBAUCQPNTOQS-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907114 721695204 /nfs/dbraw/zinc/69/52/04/721695204.db2.gz SDHQQVBYUJQMRZ-OAQYLSRUSA-N 1 1 449.933 4.028 20 0 IIADMO FC1(F)CCN(c2ncnc3[nH]c4ccccc4c32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908332 721709154 /nfs/dbraw/zinc/70/91/54/721709154.db2.gz WZKPXTFBHSXETL-QHCPKHFHSA-N 1 1 434.494 4.244 20 0 IIADMO FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906482 721712888 /nfs/dbraw/zinc/71/28/88/721712888.db2.gz MITZLUVUYSHISK-NRFANRHFSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912879 721735979 /nfs/dbraw/zinc/73/59/79/721735979.db2.gz QVLOGUIFXWBBMV-HSZRJFAPSA-N 1 1 443.542 4.178 20 0 IIADMO COc1cccc2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910891 721756627 /nfs/dbraw/zinc/75/66/27/721756627.db2.gz TXDGOQRGRHTBPJ-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO COc1cccc2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910891 721756634 /nfs/dbraw/zinc/75/66/34/721756634.db2.gz TXDGOQRGRHTBPJ-UHFFFAOYSA-N 1 1 449.942 4.475 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164911742 721758802 /nfs/dbraw/zinc/75/88/02/721758802.db2.gz YJBJQCIOODARMT-UHFFFAOYSA-N 1 1 437.547 4.425 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164911742 721758806 /nfs/dbraw/zinc/75/88/06/721758806.db2.gz YJBJQCIOODARMT-UHFFFAOYSA-N 1 1 437.547 4.425 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3F)nn1)C2 ZINC001164910947 721762699 /nfs/dbraw/zinc/76/26/99/721762699.db2.gz MDEIZCCHYSSYJM-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3F)nn1)C2 ZINC001164910947 721762704 /nfs/dbraw/zinc/76/27/04/721762704.db2.gz MDEIZCCHYSSYJM-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026634 721801733 /nfs/dbraw/zinc/80/17/33/721801733.db2.gz RQIQMYKPIBJRGN-FBBABVLZSA-N 1 1 442.991 4.352 20 0 IIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027567 721807891 /nfs/dbraw/zinc/80/78/91/721807891.db2.gz WJQSMCRWWSTZIE-DFQSSKMNSA-N 1 1 442.991 4.352 20 0 IIADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165024190 721814908 /nfs/dbraw/zinc/81/49/08/721814908.db2.gz JOPPFYKTCYOXIL-HQRMLTQVSA-N 1 1 437.975 4.424 20 0 IIADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026814 721819622 /nfs/dbraw/zinc/81/96/22/721819622.db2.gz RMIZSVHYPDFKDM-WDSOQIARSA-N 1 1 439.995 4.193 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@H]21 ZINC001165025272 721819907 /nfs/dbraw/zinc/81/99/07/721819907.db2.gz MBVWMVRKGQMMOT-QPTUXGOLSA-N 1 1 429.568 4.188 20 0 IIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165025682 721823425 /nfs/dbraw/zinc/82/34/25/721823425.db2.gz NJRPPYPLWAJCGC-ZWSUVBHBSA-N 1 1 429.568 4.284 20 0 IIADMO COc1cc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c(OC)c1 ZINC001165027879 721830286 /nfs/dbraw/zinc/83/02/86/721830286.db2.gz UQFOSRGOPLTSOL-OEOAZWSVSA-N 1 1 432.568 4.384 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)nc1 ZINC001164925024 721840717 /nfs/dbraw/zinc/84/07/17/721840717.db2.gz ZRJFQFREFKBCOO-QIGHUWCUSA-N 1 1 436.600 4.083 20 0 IIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1Cl ZINC001165043311 721922474 /nfs/dbraw/zinc/92/24/74/721922474.db2.gz IURICRUEXXYBMW-INIZCTEOSA-N 1 1 425.882 4.387 20 0 IIADMO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165044975 721926666 /nfs/dbraw/zinc/92/66/66/721926666.db2.gz XRDHDOHTPURXSZ-IBGZPJMESA-N 1 1 437.918 4.257 20 0 IIADMO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165044979 721926906 /nfs/dbraw/zinc/92/69/06/721926906.db2.gz XRDHDOHTPURXSZ-LJQANCHMSA-N 1 1 437.918 4.257 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(CCC(=O)OC)Cc2ccco2)n1 ZINC001165050826 721982593 /nfs/dbraw/zinc/98/25/93/721982593.db2.gz WZGFNPIZOSKQEQ-UHFFFAOYSA-N 1 1 430.574 4.313 20 0 IIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955449 722020041 /nfs/dbraw/zinc/02/00/41/722020041.db2.gz HHGDYZIZCYQYDF-UHFFFAOYSA-N 1 1 430.552 4.299 20 0 IIADMO COc1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)c(OC)c1 ZINC001164961359 722022795 /nfs/dbraw/zinc/02/27/95/722022795.db2.gz NHKOBBNCSILUEQ-UHFFFAOYSA-N 1 1 445.567 4.048 20 0 IIADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955680 722023040 /nfs/dbraw/zinc/02/30/40/722023040.db2.gz MWCXFOKSBGFUCD-UHFFFAOYSA-N 1 1 432.906 4.044 20 0 IIADMO Clc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2sccc2n1 ZINC001164962460 722054792 /nfs/dbraw/zinc/05/47/92/722054792.db2.gz DUDWJCGJXVLZGR-UHFFFAOYSA-N 1 1 428.989 4.464 20 0 IIADMO Clc1nc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C2CC2)n1 ZINC001164965606 722062547 /nfs/dbraw/zinc/06/25/47/722062547.db2.gz KZXVXVVAIFYNAZ-UHFFFAOYSA-N 1 1 448.398 4.175 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966552 722075791 /nfs/dbraw/zinc/07/57/91/722075791.db2.gz APQFLNNWFPECSI-CALCHBBNSA-N 1 1 426.611 4.336 20 0 IIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982134 722103083 /nfs/dbraw/zinc/10/30/83/722103083.db2.gz MZAZAWIMCPJARV-CRAIPNDOSA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164986253 722107529 /nfs/dbraw/zinc/10/75/29/722107529.db2.gz YNYVDLQSVWAQQO-GOEBONIOSA-N 1 1 427.763 4.164 20 0 IIADMO Fc1ccc2cc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983426 722107787 /nfs/dbraw/zinc/10/77/87/722107787.db2.gz QBJIXJHFQMXCDE-GHTZIAJQSA-N 1 1 426.923 4.150 20 0 IIADMO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983430 722108020 /nfs/dbraw/zinc/10/80/20/722108020.db2.gz QBJIXJHFQMXCDE-WIYYLYMNSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975006 722110240 /nfs/dbraw/zinc/11/02/40/722110240.db2.gz JFBDYWWBKRNOLN-UZLBHIALSA-N 1 1 444.366 4.059 20 0 IIADMO Cc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1C ZINC001164982469 722129015 /nfs/dbraw/zinc/12/90/15/722129015.db2.gz WPOYLCBGSGVXNY-SIKLNZKXSA-N 1 1 437.975 4.022 20 0 IIADMO C[N@@H+](Cc1ccc(N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1)C1CC1 ZINC001164975452 722161054 /nfs/dbraw/zinc/16/10/54/722161054.db2.gz SXGFYRXTJCWYFR-UHFFFAOYSA-N 1 1 430.596 4.361 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001164980578 722162429 /nfs/dbraw/zinc/16/24/29/722162429.db2.gz NMIMOIMOGUDEEV-RUZDIDTESA-N 1 1 449.624 4.274 20 0 IIADMO COC(=O)c1cc2c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)[nH]c(Cl)cc-2n1 ZINC001164996665 722205444 /nfs/dbraw/zinc/20/54/44/722205444.db2.gz UZDHBMGYILOCGC-QHCPKHFHSA-N 1 1 442.922 4.387 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@H]4C3)c2c1C ZINC001164407582 718858540 /nfs/dbraw/zinc/85/85/40/718858540.db2.gz YZEZLNZTOWJIDU-ROUUACIJSA-N 1 1 433.581 4.076 20 0 IIADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1 ZINC001164624231 719098306 /nfs/dbraw/zinc/09/83/06/719098306.db2.gz DQYNZZTVCNHYDB-GMAHTHKFSA-N 1 1 428.536 4.016 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164649066 719308421 /nfs/dbraw/zinc/30/84/21/719308421.db2.gz TVKUTMWWYAAVQF-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164652946 719313974 /nfs/dbraw/zinc/31/39/74/719313974.db2.gz VBCJISGJZYSEOI-UHFFFAOYSA-N 1 1 442.567 4.127 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(=O)OC(C)(C)C)ccn2)CC3)cs1 ZINC001164691483 719805330 /nfs/dbraw/zinc/80/53/30/719805330.db2.gz IARXGCXHIBVMNP-UHFFFAOYSA-N 1 1 428.602 4.437 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691996 719808693 /nfs/dbraw/zinc/80/86/93/719808693.db2.gz DXKQIXQYYUGSQU-UHFFFAOYSA-N 1 1 435.597 4.456 20 0 IIADMO COc1cc2c(cc1F)ncnc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691287 719811131 /nfs/dbraw/zinc/81/11/31/719811131.db2.gz DLYDJSQRPMEWOW-UHFFFAOYSA-N 1 1 427.549 4.177 20 0 IIADMO COC(=O)c1ccc2cc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ncc2c1 ZINC001164691231 719812845 /nfs/dbraw/zinc/81/28/45/719812845.db2.gz BHRUAOUKQSEQNF-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO CSc1nc2sccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694962 719887366 /nfs/dbraw/zinc/88/73/66/719887366.db2.gz IMESFJAPIXJZFT-UHFFFAOYSA-N 1 1 432.640 4.346 20 0 IIADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)C[N@@H+](Cc2cccs2)CCO4)n1)CCC3 ZINC001164698346 719897592 /nfs/dbraw/zinc/89/75/92/719897592.db2.gz RSALPCVOYJQQDC-UHFFFAOYSA-N 1 1 440.638 4.421 20 0 IIADMO COc1ccccc1-c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164707283 719898518 /nfs/dbraw/zinc/89/85/18/719898518.db2.gz OCNVOTCHMLVIGV-UHFFFAOYSA-N 1 1 436.581 4.085 20 0 IIADMO CCO[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164711556 720065807 /nfs/dbraw/zinc/06/58/07/720065807.db2.gz IKDZGEQQPNPNPX-KNKQGSTJSA-N 1 1 438.597 4.193 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164719507 720111328 /nfs/dbraw/zinc/11/13/28/720111328.db2.gz XRBGEUHSAWGPHA-FQEVSTJZSA-N 1 1 437.975 4.186 20 0 IIADMO CCc1cc2c(ncnc2N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)s1 ZINC001164714307 720117005 /nfs/dbraw/zinc/11/70/05/720117005.db2.gz BTLMYPNHDMMCJQ-IBGZPJMESA-N 1 1 437.613 4.156 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164716393 720125459 /nfs/dbraw/zinc/12/54/59/720125459.db2.gz KUPSYPKSFKMCNT-OAQYLSRUSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164711190 720139170 /nfs/dbraw/zinc/13/91/70/720139170.db2.gz FXADYDKBQZMSSN-LJQANCHMSA-N 1 1 439.991 4.427 20 0 IIADMO CCc1nc2sccc2c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711287 720150721 /nfs/dbraw/zinc/15/07/21/720150721.db2.gz GZWKFYRACZRNJP-IBGZPJMESA-N 1 1 437.613 4.156 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3sc4c(c31)CCCC4)C2 ZINC001164816069 720162757 /nfs/dbraw/zinc/16/27/57/720162757.db2.gz KFNLAQDIPJSTAY-MHECFPHRSA-N 1 1 426.630 4.063 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164812383 720192226 /nfs/dbraw/zinc/19/22/26/720192226.db2.gz ACLCCZNQTJWDPS-OYHNWAKOSA-N 1 1 436.934 4.406 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164814150 720201694 /nfs/dbraw/zinc/20/16/94/720201694.db2.gz SYQIJZLRJDDRKV-UYAOXDASSA-N 1 1 425.951 4.040 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164810171 720206017 /nfs/dbraw/zinc/20/60/17/720206017.db2.gz ABFBXVHYPXDIRS-WIYYLYMNSA-N 1 1 425.951 4.342 20 0 IIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164724711 720375912 /nfs/dbraw/zinc/37/59/12/720375912.db2.gz LCQGAAYNKUIZAR-DNQXCXABSA-N 1 1 434.547 4.454 20 0 IIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726891 720444247 /nfs/dbraw/zinc/44/42/47/720444247.db2.gz CGFFSTSJMBTVGM-OALUTQOASA-N 1 1 425.895 4.310 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730945 720450576 /nfs/dbraw/zinc/45/05/76/720450576.db2.gz JXLKOIVWOOBNHU-RBUKOAKNSA-N 1 1 445.901 4.085 20 0 IIADMO COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730945 720450585 /nfs/dbraw/zinc/45/05/85/720450585.db2.gz JXLKOIVWOOBNHU-RBUKOAKNSA-N 1 1 445.901 4.085 20 0 IIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730282 720458121 /nfs/dbraw/zinc/45/81/21/720458121.db2.gz JEJPNSSYUMXGSJ-XJUOHMSHSA-N 1 1 439.922 4.173 20 0 IIADMO c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c3)n2)c1 ZINC001164735675 720462136 /nfs/dbraw/zinc/46/21/36/720462136.db2.gz XLIZRUDWJISTLG-MOPGFXCFSA-N 1 1 430.537 4.108 20 0 IIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164722956 720475143 /nfs/dbraw/zinc/47/51/43/720475143.db2.gz BMXXUNKQVPTUSI-IZZNHLLZSA-N 1 1 437.547 4.457 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](O)[C@H]3Cc3ccccc3)c2c1C ZINC001164834506 720492015 /nfs/dbraw/zinc/49/20/15/720492015.db2.gz SUYWPKSRWRQMJT-NHCUHLMSSA-N 1 1 436.625 4.476 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834390 720506785 /nfs/dbraw/zinc/50/67/85/720506785.db2.gz FVFRHHXODGRZJR-QWFCFKBJSA-N 1 1 439.991 4.471 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)nc1 ZINC001164734409 720542181 /nfs/dbraw/zinc/54/21/81/720542181.db2.gz IDISEARXPGTJQR-JQYIIUTOSA-N 1 1 436.600 4.478 20 0 IIADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840734 720568795 /nfs/dbraw/zinc/56/87/95/720568795.db2.gz SRKLHTDTXQRSFB-SVFBPWRDSA-N 1 1 430.556 4.259 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]21 ZINC001164843602 720614098 /nfs/dbraw/zinc/61/40/98/720614098.db2.gz YMIAAHWBEUZAIQ-RRPUWOKSSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]21 ZINC001164844129 720621082 /nfs/dbraw/zinc/62/10/82/720621082.db2.gz YXOWQIAIXHJZRF-HKBOAZHASA-N 1 1 436.991 4.371 20 0 IIADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840590 720637557 /nfs/dbraw/zinc/63/75/57/720637557.db2.gz PXDQKMSZOKJNKP-BGWNEDDSSA-N 1 1 434.563 4.165 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]21 ZINC001164837611 720645737 /nfs/dbraw/zinc/64/57/37/720645737.db2.gz DKMJPEMJEIZQCE-IKGGRYGDSA-N 1 1 435.403 4.235 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164840465 720672893 /nfs/dbraw/zinc/67/28/93/720672893.db2.gz MRBWCOWKLPSQBQ-DEOSSOPVSA-N 1 1 444.579 4.316 20 0 IIADMO COC(=O)c1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc2c1 ZINC001164840504 720685290 /nfs/dbraw/zinc/68/52/90/720685290.db2.gz FRJKGSIWTUOCSF-QHCPKHFHSA-N 1 1 445.563 4.281 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164842688 720692986 /nfs/dbraw/zinc/69/29/86/720692986.db2.gz MPAJGSSOEGNEDB-HXUWFJFHSA-N 1 1 443.975 4.172 20 0 IIADMO COC(=O)c1ccc2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164836411 720708680 /nfs/dbraw/zinc/70/86/80/720708680.db2.gz ACFIIPMUOGFPJT-DEOSSOPVSA-N 1 1 445.563 4.281 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164842901 720725763 /nfs/dbraw/zinc/72/57/63/720725763.db2.gz ZYCLJAJBPPXGRC-OAQYLSRUSA-N 1 1 449.986 4.452 20 0 IIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CCCC(=O)N3)CC2)n1 ZINC001164838866 720732989 /nfs/dbraw/zinc/73/29/89/720732989.db2.gz YOZCXHBOPJNHOE-UHFFFAOYSA-N 1 1 435.597 4.059 20 0 IIADMO O=C1CC[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844805 720763577 /nfs/dbraw/zinc/76/35/77/720763577.db2.gz CZAFQADCCDOMMB-UIOOFZCWSA-N 1 1 438.575 4.414 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCCC[C@]3(COC)C2)n1 ZINC001164847022 720827691 /nfs/dbraw/zinc/82/76/91/720827691.db2.gz HPMBBNWMFDOFNJ-FDDCHVKYSA-N 1 1 432.634 4.172 20 0 IIADMO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164745216 720838193 /nfs/dbraw/zinc/83/81/93/720838193.db2.gz MWTWPNBYLVJTPM-KCZVDYSFSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748407 720880041 /nfs/dbraw/zinc/88/00/41/720880041.db2.gz DQXFMICVFNKZEP-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164746529 720919469 /nfs/dbraw/zinc/91/94/69/720919469.db2.gz BKGCAIGYRZFQHI-GJZUVCINSA-N 1 1 432.568 4.286 20 0 IIADMO COc1ccc(Oc2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc(C)n2)cc1 ZINC001164857330 721015553 /nfs/dbraw/zinc/01/55/53/721015553.db2.gz DCLXTVYSPGXMMT-KRWDZBQOSA-N 1 1 436.560 4.204 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@@H]2C ZINC001164858817 721015580 /nfs/dbraw/zinc/01/55/80/721015580.db2.gz HMSDKZNTYVKQPK-MRXNPFEDSA-N 1 1 433.585 4.371 20 0 IIADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864377 721034311 /nfs/dbraw/zinc/03/43/11/721034311.db2.gz YZCJRXLPVJBUTI-UHFFFAOYSA-N 1 1 446.933 4.053 20 0 IIADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865459 721076819 /nfs/dbraw/zinc/07/68/19/721076819.db2.gz LLRIGQZORBRNNQ-GOTSBHOMSA-N 1 1 437.547 4.172 20 0 IIADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879452 721167416 /nfs/dbraw/zinc/16/74/16/721167416.db2.gz SGNQNCCRFZUMHW-UXHICEINSA-N 1 1 444.913 4.308 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164776126 721327520 /nfs/dbraw/zinc/32/75/20/721327520.db2.gz CSSXZVICMZGRJZ-RBBKRZOGSA-N 1 1 440.563 4.370 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777438 721344950 /nfs/dbraw/zinc/34/49/50/721344950.db2.gz HDMXFJYHLUICLL-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO CSc1ccnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780102 721356501 /nfs/dbraw/zinc/35/65/01/721356501.db2.gz DGYMDKMCCLSIQO-OAQYLSRUSA-N 1 1 437.009 4.181 20 0 IIADMO CSc1ccnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780102 721356503 /nfs/dbraw/zinc/35/65/03/721356503.db2.gz DGYMDKMCCLSIQO-OAQYLSRUSA-N 1 1 437.009 4.181 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889970 721410240 /nfs/dbraw/zinc/41/02/40/721410240.db2.gz RXPMQVFQAIMMHD-RCZVLFRGSA-N 1 1 441.019 4.167 20 0 IIADMO CSc1ccc(Oc2cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)ncn2)cc1 ZINC001164790193 721421492 /nfs/dbraw/zinc/42/14/92/721421492.db2.gz WNSCMKQCDRXSEY-HZPDHXFCSA-N 1 1 425.583 4.016 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1C ZINC001164784123 721432245 /nfs/dbraw/zinc/43/22/45/721432245.db2.gz KOHOPTSBDQWVAE-IRXDYDNUSA-N 1 1 425.989 4.439 20 0 IIADMO Cc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787479 721434560 /nfs/dbraw/zinc/43/45/60/721434560.db2.gz RNQWLGPGGIDMII-RTBURBONSA-N 1 1 440.016 4.362 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164783578 721450847 /nfs/dbraw/zinc/45/08/47/721450847.db2.gz CIXNSSGPKUCYMT-GOSISDBHSA-N 1 1 428.404 4.122 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164784508 721452740 /nfs/dbraw/zinc/45/27/40/721452740.db2.gz FUJIHOKRLRERQL-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164783527 721454093 /nfs/dbraw/zinc/45/40/93/721454093.db2.gz CGBQIGDIPWFDGJ-FQEVSTJZSA-N 1 1 445.007 4.017 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164791727 721490408 /nfs/dbraw/zinc/49/04/08/721490408.db2.gz FBVFRHLPSYEATL-UHFFFAOYSA-N 1 1 447.627 4.420 20 0 IIADMO COc1ccccc1-c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncn1 ZINC001164795723 721500849 /nfs/dbraw/zinc/50/08/49/721500849.db2.gz KREPSLNUARVLHI-UHFFFAOYSA-N 1 1 429.568 4.428 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164900812 721519086 /nfs/dbraw/zinc/51/90/86/721519086.db2.gz UXVMQEMOBGIORU-WMZOPIPTSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810568 721529321 /nfs/dbraw/zinc/52/93/21/721529321.db2.gz XHPPJAHDIUQPHD-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810568 721529327 /nfs/dbraw/zinc/52/93/27/721529327.db2.gz XHPPJAHDIUQPHD-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164809014 721531750 /nfs/dbraw/zinc/53/17/50/721531750.db2.gz TZGYPJMUVHABKD-SCTDSRPQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164809014 721531754 /nfs/dbraw/zinc/53/17/54/721531754.db2.gz TZGYPJMUVHABKD-SCTDSRPQSA-N 1 1 443.325 4.197 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5c[nH]c6ccccc65)n4)CC[N@H+]3C2)c1 ZINC001164903831 721531729 /nfs/dbraw/zinc/53/17/29/721531729.db2.gz DGTIDJIBRGKHEY-AZUAARDMSA-N 1 1 429.499 4.106 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CC[N@H+]3C2)c1 ZINC001164907139 721541215 /nfs/dbraw/zinc/54/12/15/721541215.db2.gz MGHPCJDWMMWTOT-MJGOQNOKSA-N 1 1 448.876 4.309 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800677 721581689 /nfs/dbraw/zinc/58/16/89/721581689.db2.gz CKSSDZCCHJXQCV-QNWVGRARSA-N 1 1 449.986 4.369 20 0 IIADMO FC1(F)CCN(c2nccc3c(Cl)ccnc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906694 721587528 /nfs/dbraw/zinc/58/75/28/721587528.db2.gz OPHXBAXULVTWIY-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808325 721588224 /nfs/dbraw/zinc/58/82/24/721588224.db2.gz QOTNQMHMGURCHE-LDTOTXGLSA-N 1 1 429.996 4.215 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806291 721589175 /nfs/dbraw/zinc/58/91/75/721589175.db2.gz MUNOCBFQZKPDCG-XPNTWCBSSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806291 721589178 /nfs/dbraw/zinc/58/91/78/721589178.db2.gz MUNOCBFQZKPDCG-XPNTWCBSSA-N 1 1 442.007 4.441 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164805813 721590234 /nfs/dbraw/zinc/59/02/34/721590234.db2.gz LXYBRPINQOUPJJ-YQVWRLOYSA-N 1 1 440.947 4.136 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164805813 721590236 /nfs/dbraw/zinc/59/02/36/721590236.db2.gz LXYBRPINQOUPJJ-YQVWRLOYSA-N 1 1 440.947 4.136 20 0 IIADMO Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903557 721701080 /nfs/dbraw/zinc/70/10/80/721701080.db2.gz ABSLHCXUDVIXCA-QHCPKHFHSA-N 1 1 439.485 4.415 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH]1 ZINC001164906436 721720255 /nfs/dbraw/zinc/72/02/55/721720255.db2.gz LWWVBINOBBCQHI-NRFANRHFSA-N 1 1 446.933 4.306 20 0 IIADMO Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911752 721729944 /nfs/dbraw/zinc/72/99/44/721729944.db2.gz KEIATCQLIUKMGQ-QHCPKHFHSA-N 1 1 439.485 4.415 20 0 IIADMO FC1(F)CCN(c2nc(C3CCC3)nc3[nH]ccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913548 721738556 /nfs/dbraw/zinc/73/85/56/721738556.db2.gz WXMXRJAAXOZDEJ-QHCPKHFHSA-N 1 1 438.526 4.358 20 0 IIADMO COc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910625 721760898 /nfs/dbraw/zinc/76/08/98/721760898.db2.gz JNGIKCKFGOGWRC-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910625 721760905 /nfs/dbraw/zinc/76/09/05/721760905.db2.gz JNGIKCKFGOGWRC-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911153 721761699 /nfs/dbraw/zinc/76/16/99/721761699.db2.gz NHNRZVYEFOCNBI-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911153 721761701 /nfs/dbraw/zinc/76/17/01/721761701.db2.gz NHNRZVYEFOCNBI-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO Cc1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)nn1 ZINC001164910448 721761871 /nfs/dbraw/zinc/76/18/71/721761871.db2.gz GAOYCXGOUKMSBF-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)nn1 ZINC001164910448 721761874 /nfs/dbraw/zinc/76/18/74/721761874.db2.gz GAOYCXGOUKMSBF-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001164912143 721766451 /nfs/dbraw/zinc/76/64/51/721766451.db2.gz SYGNBXBPBUAKBS-UHFFFAOYSA-N 1 1 428.540 4.408 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001164912143 721766455 /nfs/dbraw/zinc/76/64/55/721766455.db2.gz SYGNBXBPBUAKBS-UHFFFAOYSA-N 1 1 428.540 4.408 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026927 721802692 /nfs/dbraw/zinc/80/26/92/721802692.db2.gz SNTNFFLMIRRXHC-VNQPRFMTSA-N 1 1 442.341 4.460 20 0 IIADMO COc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c(Cl)nc2c1 ZINC001165026404 721809348 /nfs/dbraw/zinc/80/93/48/721809348.db2.gz PUHAORKUFRTNSS-BPXKWBHBSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]21 ZINC001165027790 721815335 /nfs/dbraw/zinc/81/53/35/721815335.db2.gz VXTUILDEQGNKGD-WWPVKYPJSA-N 1 1 440.035 4.463 20 0 IIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021670 721815356 /nfs/dbraw/zinc/81/53/56/721815356.db2.gz FXBCECOXXZQING-YYWHXJBOSA-N 1 1 442.991 4.352 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165024223 721815943 /nfs/dbraw/zinc/81/59/43/721815943.db2.gz JZHZQLZFGWOAIM-CGTJXYLNSA-N 1 1 436.934 4.420 20 0 IIADMO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165025555 721818702 /nfs/dbraw/zinc/81/87/02/721818702.db2.gz NQAUIQMYJRMOLX-GRYUFTJMSA-N 1 1 429.568 4.284 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(OCc4ccccc4)cn3)C[C@@H]21 ZINC001165025269 721819939 /nfs/dbraw/zinc/81/99/39/721819939.db2.gz MBVWMVRKGQMMOT-OEMFJLHTSA-N 1 1 429.568 4.188 20 0 IIADMO COc1cccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165025226 721824211 /nfs/dbraw/zinc/82/42/11/721824211.db2.gz MGJFADONTKJYGM-ZWSUVBHBSA-N 1 1 429.568 4.284 20 0 IIADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001165026342 721828060 /nfs/dbraw/zinc/82/80/60/721828060.db2.gz OWUIBOPKHREHTI-KUWBRRTOSA-N 1 1 430.552 4.153 20 0 IIADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)s1 ZINC001165027475 721828571 /nfs/dbraw/zinc/82/85/71/721828571.db2.gz SEBZAALRQMKDEM-RCZSKKKRSA-N 1 1 434.613 4.349 20 0 IIADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165016119 721834952 /nfs/dbraw/zinc/83/49/52/721834952.db2.gz CFWGTIJZVGQCML-UHFFFAOYSA-N 1 1 446.592 4.038 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(C)cc(Cl)n2)CC1 ZINC001165022205 721838030 /nfs/dbraw/zinc/83/80/30/721838030.db2.gz QFFSRIYGRFUMAX-UHFFFAOYSA-N 1 1 440.922 4.101 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(C)(C)C)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164940651 721929528 /nfs/dbraw/zinc/92/95/28/721929528.db2.gz VOFOUOBHAMZWLE-UHFFFAOYSA-N 1 1 433.600 4.435 20 0 IIADMO COc1cc(C)c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164941362 721933850 /nfs/dbraw/zinc/93/38/50/721933850.db2.gz HAPOUNXZVXDMAL-UHFFFAOYSA-N 1 1 432.568 4.127 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955719 722012887 /nfs/dbraw/zinc/01/28/87/722012887.db2.gz YATFQPZTHKSFFD-UHFFFAOYSA-N 1 1 428.314 4.216 20 0 IIADMO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975539 722107388 /nfs/dbraw/zinc/10/73/88/722107388.db2.gz CHZBJQCYCLTIDP-QUCCMNQESA-N 1 1 437.613 4.111 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984192 722130471 /nfs/dbraw/zinc/13/04/71/722130471.db2.gz WIFYVBWNFUHEJU-GCJKJVERSA-N 1 1 438.959 4.019 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982256 722135849 /nfs/dbraw/zinc/13/58/49/722135849.db2.gz RLMBEUTZWUNEJP-KNQAVFIVSA-N 1 1 430.980 4.036 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971132 722154069 /nfs/dbraw/zinc/15/40/69/722154069.db2.gz ATWXYHDTESNOJM-RBBKRZOGSA-N 1 1 442.007 4.300 20 0 IIADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)no1 ZINC001164995393 722207727 /nfs/dbraw/zinc/20/77/27/722207727.db2.gz NMTJNJVMUSUGTJ-DEOSSOPVSA-N 1 1 435.503 4.014 20 0 IIADMO Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996498 722211597 /nfs/dbraw/zinc/21/15/97/722211597.db2.gz NPZJSOWBPQVJOT-SANMLTNESA-N 1 1 445.542 4.421 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997532 722213238 /nfs/dbraw/zinc/21/32/38/722213238.db2.gz RKASSSLVFONUFF-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997532 722213240 /nfs/dbraw/zinc/21/32/40/722213240.db2.gz RKASSSLVFONUFF-LJQANCHMSA-N 1 1 426.870 4.068 20 0 IIADMO NC(=S)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995708 722213485 /nfs/dbraw/zinc/21/34/85/722213485.db2.gz KBJSWPUIRXHFSI-QFIPXVFZSA-N 1 1 426.586 4.315 20 0 IIADMO COc1cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998475 722213785 /nfs/dbraw/zinc/21/37/85/722213785.db2.gz VURDHSRKDWKXPM-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO COc1cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998475 722213786 /nfs/dbraw/zinc/21/37/86/722213786.db2.gz VURDHSRKDWKXPM-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000675472916 1126105007 /nfs/dbraw/zinc/10/50/07/1126105007.db2.gz GDTPPGVBONNQJS-QAPCUYQASA-N 1 1 431.380 4.216 20 0 IIADMO Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H](CO)Cc3ccc(C)c(C)c3)nc2N(C)C)cc1 ZINC001206150567 1126159623 /nfs/dbraw/zinc/15/96/23/1126159623.db2.gz AHMXKMCPHMQZJN-HXUWFJFHSA-N 1 1 426.992 4.210 20 0 IIADMO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2I)CC1 ZINC000013473847 562988514 /nfs/dbraw/zinc/98/85/14/562988514.db2.gz VICKVZKXQKXAPK-IBGZPJMESA-N 1 1 425.285 4.376 20 0 IIADMO OCC[C@H]1CC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164390654 718811584 /nfs/dbraw/zinc/81/15/84/718811584.db2.gz BLQRBULNRAOLJL-KRWDZBQOSA-N 1 1 426.630 4.155 20 0 IIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624932 719084906 /nfs/dbraw/zinc/08/49/06/719084906.db2.gz MAFZNTIUGURWFF-GMAHTHKFSA-N 1 1 442.542 4.115 20 0 IIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624949 719107336 /nfs/dbraw/zinc/10/73/36/719107336.db2.gz FPXQGWUYEVLRJD-ZWKOTPCHSA-N 1 1 445.901 4.431 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164648306 719313129 /nfs/dbraw/zinc/31/31/29/719313129.db2.gz HRUPFJKMCYVMBW-UHFFFAOYSA-N 1 1 434.922 4.230 20 0 IIADMO Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1-c1ccccc1 ZINC001164670303 719445613 /nfs/dbraw/zinc/44/56/13/719445613.db2.gz NTWQOVBCFHOTGZ-UXHICEINSA-N 1 1 443.576 4.248 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c(F)cccc42)CC3)cc1 ZINC001164671160 719503952 /nfs/dbraw/zinc/50/39/52/719503952.db2.gz BVBHGLPDBVAGMS-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c(F)cccc42)CC3)cc1 ZINC001164671160 719503958 /nfs/dbraw/zinc/50/39/58/719503958.db2.gz BVBHGLPDBVAGMS-UHFFFAOYSA-N 1 1 444.913 4.433 20 0 IIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679133 719533356 /nfs/dbraw/zinc/53/33/56/719533356.db2.gz UFRXRIFXNFQMDR-GOSISDBHSA-N 1 1 437.563 4.482 20 0 IIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679133 719533366 /nfs/dbraw/zinc/53/33/66/719533366.db2.gz UFRXRIFXNFQMDR-GOSISDBHSA-N 1 1 437.563 4.482 20 0 IIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CC2 ZINC001164690278 719744713 /nfs/dbraw/zinc/74/47/13/719744713.db2.gz YDBKTEVACRMQNE-UHFFFAOYSA-N 1 1 447.608 4.053 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(=O)NC(C)(C)C)ccn2)CC3)cs1 ZINC001164691269 719811754 /nfs/dbraw/zinc/81/17/54/719811754.db2.gz CLDAZMKMGSSBSO-UHFFFAOYSA-N 1 1 427.618 4.010 20 0 IIADMO COc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c(Cl)nc2c1 ZINC001164695731 719890709 /nfs/dbraw/zinc/89/07/09/719890709.db2.gz UAQLPOJJRNQDNV-UHFFFAOYSA-N 1 1 444.988 4.225 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164710735 720103006 /nfs/dbraw/zinc/10/30/06/720103006.db2.gz LMMRIOJSYVNBIK-HXUWFJFHSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810544 720107485 /nfs/dbraw/zinc/10/74/85/720107485.db2.gz JZHYUEIPEWYLIA-UWJYYQICSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164810542 720108151 /nfs/dbraw/zinc/10/81/51/720108151.db2.gz JZHYUEIPEWYLIA-UTKZUKDTSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164714902 720110330 /nfs/dbraw/zinc/11/03/30/720110330.db2.gz DUMBHHGMPRXCSU-QGZVFWFLSA-N 1 1 444.004 4.247 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813354 720127956 /nfs/dbraw/zinc/12/79/56/720127956.db2.gz QHROBNRWEOZTNI-BEFAXECRSA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164713935 720138986 /nfs/dbraw/zinc/13/89/86/720138986.db2.gz UEWQIMNYTUPTQH-QHCPKHFHSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164712589 720151887 /nfs/dbraw/zinc/15/18/87/720151887.db2.gz NSFONLXDMNYNHU-HSZRJFAPSA-N 1 1 436.600 4.053 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)C2 ZINC001164819046 720175788 /nfs/dbraw/zinc/17/57/88/720175788.db2.gz VSRAIEQAPCPTFM-GBXCKJPGSA-N 1 1 426.992 4.290 20 0 IIADMO Cc1ccc2nc(Cl)cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164812822 720219004 /nfs/dbraw/zinc/21/90/04/720219004.db2.gz JGTYEWVQOPJITQ-UHFFFAOYSA-N 1 1 425.964 4.004 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164816831 720259284 /nfs/dbraw/zinc/25/92/84/720259284.db2.gz MYHUHLAXBIYAJQ-YPAWHYETSA-N 1 1 439.629 4.163 20 0 IIADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164729416 720417824 /nfs/dbraw/zinc/41/78/24/720417824.db2.gz HJZJDQSMEJPNSZ-RPBOFIJWSA-N 1 1 442.563 4.432 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730907 720433177 /nfs/dbraw/zinc/43/31/77/720433177.db2.gz JPGBEAHJFGRIRD-PMACEKPBSA-N 1 1 436.943 4.313 20 0 IIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164735726 720435592 /nfs/dbraw/zinc/43/55/92/720435592.db2.gz YCEWAZLJROIKRZ-ZWKOTPCHSA-N 1 1 425.895 4.310 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722950 720477804 /nfs/dbraw/zinc/47/78/04/720477804.db2.gz BHCJYIKVIHTHDQ-RTBURBONSA-N 1 1 425.895 4.310 20 0 IIADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2cc(Cl)ccc12 ZINC001164838598 720544542 /nfs/dbraw/zinc/54/45/42/720544542.db2.gz ORRAOUGBRGHMIK-SFGWALBWSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]21 ZINC001164839165 720547710 /nfs/dbraw/zinc/54/77/10/720547710.db2.gz PRKTUFVSWSARAM-URVUXULASA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(OCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840101 720580475 /nfs/dbraw/zinc/58/04/75/720580475.db2.gz OZXRVBWXSAJPFP-TZRRMPRUSA-N 1 1 431.584 4.235 20 0 IIADMO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)c1 ZINC001164836188 720587288 /nfs/dbraw/zinc/58/72/88/720587288.db2.gz FDPDADFQZXZBMR-CNNODRBYSA-N 1 1 432.012 4.488 20 0 IIADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843607 720600806 /nfs/dbraw/zinc/60/08/06/720600806.db2.gz YPDQDNFPPWPKPB-IPMKNSEASA-N 1 1 431.028 4.310 20 0 IIADMO 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 720647439 /nfs/dbraw/zinc/64/74/39/720647439.db2.gz PDJCALFVBGSOHN-HOJAQTOUSA-N 1 1 449.977 4.429 20 0 IIADMO CCCN(CCC)c1cncc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838305 720703707 /nfs/dbraw/zinc/70/37/07/720703707.db2.gz HYQIMXMTFIDXSM-HSZRJFAPSA-N 1 1 437.632 4.363 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164838212 720705813 /nfs/dbraw/zinc/70/58/13/720705813.db2.gz HPMYAJNBTWRMGL-DEOSSOPVSA-N 1 1 444.579 4.316 20 0 IIADMO COc1ccccc1-c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836911 720715027 /nfs/dbraw/zinc/71/50/27/720715027.db2.gz BUPRFOAGPFGUJV-JOCHJYFZSA-N 1 1 444.579 4.412 20 0 IIADMO COC[C@@]12CCC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846687 720792294 /nfs/dbraw/zinc/79/22/94/720792294.db2.gz KEDQSNMROBAJPY-XDHUDOTRSA-N 1 1 426.630 4.419 20 0 IIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745163 720834232 /nfs/dbraw/zinc/83/42/32/720834232.db2.gz MCBAUFLBCJSLRR-NNMXDRDESA-N 1 1 436.991 4.168 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740484 720839801 /nfs/dbraw/zinc/83/98/01/720839801.db2.gz BZAHCCCHMNEJRG-RCCFBDPRSA-N 1 1 443.020 4.229 20 0 IIADMO Cc1csc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164752251 720869687 /nfs/dbraw/zinc/86/96/87/720869687.db2.gz MJMYNKVBQVDSHG-OFVILXPXSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754863 720873233 /nfs/dbraw/zinc/87/32/33/720873233.db2.gz UFEJELRHYQBNIL-OZXSUGGESA-N 1 1 435.616 4.059 20 0 IIADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755788 720874242 /nfs/dbraw/zinc/87/42/42/720874242.db2.gz YXJOMTMRKHSAMX-XUZZJYLKSA-N 1 1 426.992 4.194 20 0 IIADMO c1ccc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164752935 720878122 /nfs/dbraw/zinc/87/81/22/720878122.db2.gz NNAIDNHPDQCQSL-XNMGPUDCSA-N 1 1 428.580 4.385 20 0 IIADMO Cc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1Cl ZINC001164758454 720885748 /nfs/dbraw/zinc/88/57/48/720885748.db2.gz YEMPDQPOPOXERE-ZJSXRUAMSA-N 1 1 426.992 4.194 20 0 IIADMO F[C@H](c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757908 720888896 /nfs/dbraw/zinc/88/88/96/720888896.db2.gz WJRVPGHMFQTGDQ-OEMFJLHTSA-N 1 1 444.982 4.349 20 0 IIADMO CCSc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164746539 720931153 /nfs/dbraw/zinc/93/11/53/720931153.db2.gz BLHKVOLJPHPBBN-WIOPSUGQSA-N 1 1 438.641 4.344 20 0 IIADMO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753746 720934550 /nfs/dbraw/zinc/93/45/50/720934550.db2.gz SLYYTYWSFIQRGP-OZXSUGGESA-N 1 1 435.616 4.059 20 0 IIADMO c1sc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164866057 721066188 /nfs/dbraw/zinc/06/61/88/721066188.db2.gz CEROQXOHUVYVKC-LEWJYISDSA-N 1 1 443.576 4.233 20 0 IIADMO Cc1ccc(-c2csc3ncnc(N4C[C@@H]5CC[N@H+](Cc6cnn(C)c6)C[C@@H]5C4)c23)cc1 ZINC001164767292 721113477 /nfs/dbraw/zinc/11/34/77/721113477.db2.gz MINJFTBTJONJJG-LEWJYISDSA-N 1 1 444.608 4.359 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768134 721113884 /nfs/dbraw/zinc/11/38/84/721113884.db2.gz NJLUAEQGXWOLKD-MSOLQXFVSA-N 1 1 431.918 4.125 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164878950 721159025 /nfs/dbraw/zinc/15/90/25/721159025.db2.gz RAGJHKMQJVXUGX-XZOQPEGZSA-N 1 1 432.593 4.249 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164878947 721159665 /nfs/dbraw/zinc/15/96/65/721159665.db2.gz RAGJHKMQJVXUGX-PKTZIBPZSA-N 1 1 432.593 4.249 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872173 721167514 /nfs/dbraw/zinc/16/75/14/721167514.db2.gz GRWOIPVGPGEUBH-RTWAWAEBSA-N 1 1 449.986 4.289 20 0 IIADMO Clc1ccc2ccc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880448 721180944 /nfs/dbraw/zinc/18/09/44/721180944.db2.gz WRWJLQXFKQCNCA-ROUUACIJSA-N 1 1 429.351 4.416 20 0 IIADMO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164872206 721239968 /nfs/dbraw/zinc/23/99/68/721239968.db2.gz LFSLJCKFGVDJCF-HXUWFJFHSA-N 1 1 443.595 4.344 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164769038 721276878 /nfs/dbraw/zinc/27/68/78/721276878.db2.gz NJASUAUICARDJP-OFVILXPXSA-N 1 1 446.599 4.326 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164879382 721325923 /nfs/dbraw/zinc/32/59/23/721325923.db2.gz SNZQHPDBLCSFAJ-UHFFFAOYSA-N 1 1 436.890 4.461 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164876913 721329476 /nfs/dbraw/zinc/32/94/76/721329476.db2.gz SHDRTBWTEBEAMM-NRFANRHFSA-N 1 1 439.629 4.218 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779102 721345433 /nfs/dbraw/zinc/34/54/33/721345433.db2.gz QXRUVKXYZJQFMD-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779102 721345435 /nfs/dbraw/zinc/34/54/35/721345435.db2.gz QXRUVKXYZJQFMD-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887107 721401129 /nfs/dbraw/zinc/40/11/29/721401129.db2.gz LAGJXSQMOVMZRD-WZONZLPQSA-N 1 1 449.426 4.307 20 0 IIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889979 721410085 /nfs/dbraw/zinc/41/00/85/721410085.db2.gz RXPMQVFQAIMMHD-WIOPSUGQSA-N 1 1 441.019 4.167 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164783576 721427358 /nfs/dbraw/zinc/42/73/58/721427358.db2.gz IYTSLFCSERFOGR-CALCHBBNSA-N 1 1 439.972 4.012 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164783576 721427360 /nfs/dbraw/zinc/42/73/60/721427360.db2.gz IYTSLFCSERFOGR-CALCHBBNSA-N 1 1 439.972 4.012 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1C ZINC001164784112 721432055 /nfs/dbraw/zinc/43/20/55/721432055.db2.gz KOHOPTSBDQWVAE-IAGOWNOFSA-N 1 1 425.989 4.439 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164787641 721447501 /nfs/dbraw/zinc/44/75/01/721447501.db2.gz OXTDITHVXQSLIC-LJQANCHMSA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164783943 721464824 /nfs/dbraw/zinc/46/48/24/721464824.db2.gz GLHRLBJZHPLAHC-SFHVURJKSA-N 1 1 442.431 4.431 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164790985 721492144 /nfs/dbraw/zinc/49/21/44/721492144.db2.gz ABDZXZYRRKJXAK-UHFFFAOYSA-N 1 1 429.568 4.332 20 0 IIADMO COC(=O)c1cc2ccccc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795476 721497892 /nfs/dbraw/zinc/49/78/92/721497892.db2.gz IKLSXYQSZXXWNM-UHFFFAOYSA-N 1 1 430.552 4.297 20 0 IIADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795091 721498812 /nfs/dbraw/zinc/49/88/12/721498812.db2.gz CVUIHKOYJXOVBN-ONEGZZNKSA-N 1 1 445.567 4.025 20 0 IIADMO CC1CCN(C(=O)c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2)CC1 ZINC001164795993 721500410 /nfs/dbraw/zinc/50/04/10/721500410.db2.gz ORRMBFGNULYMAW-UHFFFAOYSA-N 1 1 447.627 4.230 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164900804 721518517 /nfs/dbraw/zinc/51/85/17/721518517.db2.gz UXVMQEMOBGIORU-AEFFLSMTSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164795189 721525621 /nfs/dbraw/zinc/52/56/21/721525621.db2.gz LLNGMVULEQPCOW-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164795189 721525628 /nfs/dbraw/zinc/52/56/28/721525628.db2.gz LLNGMVULEQPCOW-ZCNNSNEGSA-N 1 1 444.366 4.200 20 0 IIADMO COc1cccc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794548 721525990 /nfs/dbraw/zinc/52/59/90/721525990.db2.gz FSNQFHHNQRSFHK-VAXXYWNWSA-N 1 1 438.959 4.160 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799888 721545834 /nfs/dbraw/zinc/54/58/34/721545834.db2.gz BRCDLOLOOJVEHH-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799888 721545835 /nfs/dbraw/zinc/54/58/35/721545835.db2.gz BRCDLOLOOJVEHH-AQNXPRMDSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164802493 721549233 /nfs/dbraw/zinc/54/92/33/721549233.db2.gz GNCRFAKJEKAJAS-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164802493 721549235 /nfs/dbraw/zinc/54/92/35/721549235.db2.gz GNCRFAKJEKAJAS-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)CC[N@H+]3C2)c1 ZINC001164904635 721553296 /nfs/dbraw/zinc/55/32/96/721553296.db2.gz DZOTXWXLIGDYRS-FPOVZHCZSA-N 1 1 441.510 4.173 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164802286 721553957 /nfs/dbraw/zinc/55/39/57/721553957.db2.gz IAAYIBKBWJTPCO-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164802286 721553959 /nfs/dbraw/zinc/55/39/59/721553959.db2.gz IAAYIBKBWJTPCO-NLWGTHIKSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164905414 721559507 /nfs/dbraw/zinc/55/95/07/721559507.db2.gz HGNBWSVISNLSGL-IEBWSBKVSA-N 1 1 442.897 4.417 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccccn5)nc5sccc54)CC[N@H+]3C2)c1 ZINC001164905930 721562435 /nfs/dbraw/zinc/56/24/35/721562435.db2.gz IDEYYXPXYFEJDC-HKUYNNGSSA-N 1 1 447.539 4.234 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@H+]3C2)c1 ZINC001164909185 721567183 /nfs/dbraw/zinc/56/71/83/721567183.db2.gz SPRNLYPONPKNLL-HKUYNNGSSA-N 1 1 437.893 4.336 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)c1 ZINC001164807424 721570874 /nfs/dbraw/zinc/57/08/74/721570874.db2.gz TTZWGPOEADUUIN-OTNCWRBYSA-N 1 1 447.608 4.199 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)c1 ZINC001164807424 721570876 /nfs/dbraw/zinc/57/08/76/721570876.db2.gz TTZWGPOEADUUIN-OTNCWRBYSA-N 1 1 447.608 4.199 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@H]12 ZINC001164804360 721578118 /nfs/dbraw/zinc/57/81/18/721578118.db2.gz JQMPXDXCPQBPPQ-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@H]12 ZINC001164804360 721578121 /nfs/dbraw/zinc/57/81/21/721578121.db2.gz JQMPXDXCPQBPPQ-ZDXQCDESSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@H]12 ZINC001164802636 721590783 /nfs/dbraw/zinc/59/07/83/721590783.db2.gz HKZUCHLLXXFUET-GWJPWWOOSA-N 1 1 444.913 4.430 20 0 IIADMO CSc1nc2c(c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n1)CCCC2 ZINC001164907498 721701285 /nfs/dbraw/zinc/70/12/85/721701285.db2.gz UUIQBSDSMJJKGG-QFIPXVFZSA-N 1 1 445.583 4.210 20 0 IIADMO FC1(F)CCN(c2ccc3c(Cl)ccnc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904309 721711917 /nfs/dbraw/zinc/71/19/17/721711917.db2.gz BNVCZSMFDKESRV-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905570 721712499 /nfs/dbraw/zinc/71/24/99/721712499.db2.gz HPOAQSSOMIJTOS-OAQYLSRUSA-N 1 1 427.524 4.338 20 0 IIADMO FC1(F)CCN(c2cc3c(Cl)ccnc3cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906485 721713028 /nfs/dbraw/zinc/71/30/28/721713028.db2.gz MITZLUVUYSHISK-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO FC1(F)CCN(c2ncnc3sc4c(c32)CCC4)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906918 721723666 /nfs/dbraw/zinc/72/36/66/721723666.db2.gz PAFJXMOEXXKVGX-JOCHJYFZSA-N 1 1 441.551 4.313 20 0 IIADMO Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911750 721730570 /nfs/dbraw/zinc/73/05/70/721730570.db2.gz KEIATCQLIUKMGQ-HSZRJFAPSA-N 1 1 439.485 4.415 20 0 IIADMO COc1cc(C)c2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164912697 721739567 /nfs/dbraw/zinc/73/95/67/721739567.db2.gz PMPRQZZITYCKJX-QHCPKHFHSA-N 1 1 439.510 4.080 20 0 IIADMO Cc1nc(Cl)cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909440 721747917 /nfs/dbraw/zinc/74/79/17/721747917.db2.gz UBLXUHWSDKTCOB-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1nc(Cl)cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909440 721747931 /nfs/dbraw/zinc/74/79/31/721747931.db2.gz UBLXUHWSDKTCOB-UHFFFAOYSA-N 1 1 433.890 4.166 20 0 IIADMO Cc1nc(-c2ccncc2)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911464 721762572 /nfs/dbraw/zinc/76/25/72/721762572.db2.gz PCILLWSDBLAPSK-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO Cc1nc(-c2ccncc2)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911464 721762575 /nfs/dbraw/zinc/76/25/75/721762575.db2.gz PCILLWSDBLAPSK-UHFFFAOYSA-N 1 1 426.524 4.030 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]21 ZINC001165024514 721801506 /nfs/dbraw/zinc/80/15/06/721801506.db2.gz LNRVCJQFWFHLTR-CWRNSKLLSA-N 1 1 442.341 4.460 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)C[C@H]21 ZINC001165025068 721804076 /nfs/dbraw/zinc/80/40/76/721804076.db2.gz NKOMJZOERHCSIL-WRWLIDTKSA-N 1 1 430.021 4.051 20 0 IIADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029670 721813162 /nfs/dbraw/zinc/81/31/62/721813162.db2.gz ZYMXWXBMMREZMD-XWFZLUIHSA-N 1 1 437.975 4.424 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025965 721814606 /nfs/dbraw/zinc/81/46/06/721814606.db2.gz ONNPJFKHQBDNDZ-PMOQBDJRSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025965 721814609 /nfs/dbraw/zinc/81/46/09/721814609.db2.gz ONNPJFKHQBDNDZ-PMOQBDJRSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165022664 721815074 /nfs/dbraw/zinc/81/50/74/721815074.db2.gz GLGAIHHDWIPAQI-UAGQMJEPSA-N 1 1 428.993 4.180 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)C[C@@H]21 ZINC001165024699 721822515 /nfs/dbraw/zinc/82/25/15/721822515.db2.gz KYVFEIOILWDAGD-JCGIZDLHSA-N 1 1 443.382 4.464 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]21 ZINC001165025736 721824646 /nfs/dbraw/zinc/82/46/46/721824646.db2.gz NOTOHVMHVDJTJJ-MOXGXCLJSA-N 1 1 447.961 4.296 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939344 721922866 /nfs/dbraw/zinc/92/28/66/721922866.db2.gz JITMTESRMWZUKR-UHFFFAOYSA-N 1 1 444.579 4.235 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CSC5)CC3)C2)cc1 ZINC001164939908 721924511 /nfs/dbraw/zinc/92/45/11/721924511.db2.gz PKUFOBGCFUQRFC-UHFFFAOYSA-N 1 1 431.005 4.057 20 0 IIADMO CCOc1ccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164938932 721927091 /nfs/dbraw/zinc/92/70/91/721927091.db2.gz CFQMULPLLVYRCI-UHFFFAOYSA-N 1 1 432.568 4.208 20 0 IIADMO COC(=O)CCN(Cc1ccco1)c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001165049651 721982625 /nfs/dbraw/zinc/98/26/25/721982625.db2.gz MLKRRIDBYLZFLD-UHFFFAOYSA-N 1 1 442.585 4.457 20 0 IIADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056597 722013641 /nfs/dbraw/zinc/01/36/41/722013641.db2.gz XULKXYJTRFRFPC-UHFFFAOYSA-N 1 1 438.309 4.241 20 0 IIADMO Clc1cccc(-c2cccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)n1 ZINC001164963259 722056427 /nfs/dbraw/zinc/05/64/27/722056427.db2.gz KDPHETWKOVIPJV-UHFFFAOYSA-N 1 1 449.986 4.311 20 0 IIADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2ccsc2)n1 ZINC001164963373 722060826 /nfs/dbraw/zinc/06/08/26/722060826.db2.gz XQAPHOGTMKBKBF-UHFFFAOYSA-N 1 1 435.597 4.028 20 0 IIADMO c1ccc(Oc2ccc(-c3ccc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)nn3)cc2)cc1 ZINC001164968170 722076966 /nfs/dbraw/zinc/07/69/66/722076966.db2.gz UROXFOMMUDVVGA-PSWAGMNNSA-N 1 1 428.536 4.235 20 0 IIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983486 722102247 /nfs/dbraw/zinc/10/22/47/722102247.db2.gz QLYDYBQAFCQJEH-MAUKXSAKSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982141 722102895 /nfs/dbraw/zinc/10/28/95/722102895.db2.gz MZAZAWIMCPJARV-QAPCUYQASA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971904 722114419 /nfs/dbraw/zinc/11/44/19/722114419.db2.gz DEMCDGIIXQGJGJ-QFBILLFUSA-N 1 1 444.366 4.059 20 0 IIADMO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973065 722116912 /nfs/dbraw/zinc/11/69/12/722116912.db2.gz GGVKOOJKJDEAIW-WZONZLPQSA-N 1 1 438.959 4.019 20 0 IIADMO Cc1cccc(Sc2cncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164981790 722135133 /nfs/dbraw/zinc/13/51/33/722135133.db2.gz QLODRBAFNFMXIS-GMAHTHKFSA-N 1 1 447.608 4.059 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976091 722144696 /nfs/dbraw/zinc/14/46/96/722144696.db2.gz HAXNIRSPULDYLY-YADHBBJMSA-N 1 1 449.986 4.228 20 0 IIADMO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982597 722146469 /nfs/dbraw/zinc/14/64/69/722146469.db2.gz RRJCHVONZCLQQR-ZCYQVOJMSA-N 1 1 446.620 4.496 20 0 IIADMO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972753 722157092 /nfs/dbraw/zinc/15/70/92/722157092.db2.gz JKQATRCQNKMTEL-VQIMIIECSA-N 1 1 444.366 4.059 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974684 722158844 /nfs/dbraw/zinc/15/88/44/722158844.db2.gz OWUMDDJHXCVMKJ-JPYJTQIMSA-N 1 1 438.959 4.019 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994815 722208581 /nfs/dbraw/zinc/20/85/81/722208581.db2.gz IJQXMEAKJZLBOU-AREMUKBSSA-N 1 1 446.526 4.299 20 0 IIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000675472918 1126105191 /nfs/dbraw/zinc/10/51/91/1126105191.db2.gz GDTPPGVBONNQJS-YJBOKZPZSA-N 1 1 431.380 4.216 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1 ZINC001308117439 1126163426 /nfs/dbraw/zinc/16/34/26/1126163426.db2.gz JZLPLBDDXSQRON-QFIPXVFZSA-N 1 1 431.508 4.189 20 0 IIADMO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473840381 1126200904 /nfs/dbraw/zinc/20/09/04/1126200904.db2.gz WTRDDWHULPSMDO-LJQANCHMSA-N 1 1 436.737 4.236 20 0 IIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)[C@H]3C2)cc1 ZINC001164624230 719098791 /nfs/dbraw/zinc/09/87/91/719098791.db2.gz DQYNZZTVCNHYDB-GGAORHGYSA-N 1 1 428.536 4.016 20 0 IIADMO COC(=O)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccc2c1OC ZINC001164628792 719105319 /nfs/dbraw/zinc/10/53/19/719105319.db2.gz OGCQOBRHTYKCPP-UGKGYDQZSA-N 1 1 431.536 4.131 20 0 IIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624944 719107265 /nfs/dbraw/zinc/10/72/65/719107265.db2.gz FPXQGWUYEVLRJD-QZTJIDSGSA-N 1 1 445.901 4.431 20 0 IIADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)cc1 ZINC001164666905 719444681 /nfs/dbraw/zinc/44/46/81/719444681.db2.gz DSSXQMQNQNZCME-SFTDATJTSA-N 1 1 443.576 4.248 20 0 IIADMO Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1-c1ccccc1 ZINC001164670305 719444735 /nfs/dbraw/zinc/44/47/35/719444735.db2.gz NTWQOVBCFHOTGZ-WOJBJXKFSA-N 1 1 443.576 4.248 20 0 IIADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)cc1 ZINC001164666901 719445425 /nfs/dbraw/zinc/44/54/25/719445425.db2.gz DSSXQMQNQNZCME-RTWAWAEBSA-N 1 1 443.576 4.248 20 0 IIADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)cc1 ZINC001164666897 719445660 /nfs/dbraw/zinc/44/56/60/719445660.db2.gz DSSXQMQNQNZCME-NHCUHLMSSA-N 1 1 443.576 4.248 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)N(C)C(C)C)c3C2)nc1 ZINC001164695591 719787742 /nfs/dbraw/zinc/78/77/42/719787742.db2.gz NAWGNKVIFZXRSA-HXUWFJFHSA-N 1 1 425.577 4.050 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1 ZINC001164705821 719836848 /nfs/dbraw/zinc/83/68/48/719836848.db2.gz VVVLDPAVJUDKJH-HSZRJFAPSA-N 1 1 434.584 4.031 20 0 IIADMO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164695698 719892074 /nfs/dbraw/zinc/89/20/74/719892074.db2.gz ROCUKJFICITYOA-UHFFFAOYSA-N 1 1 443.947 4.221 20 0 IIADMO Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694732 719892376 /nfs/dbraw/zinc/89/23/76/719892376.db2.gz DMWMFBOIQXUNMC-UHFFFAOYSA-N 1 1 431.911 4.352 20 0 IIADMO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699104 719892928 /nfs/dbraw/zinc/89/29/28/719892928.db2.gz XESYBIZSICVHOM-UHFFFAOYSA-N 1 1 448.592 4.267 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164815797 720077129 /nfs/dbraw/zinc/07/71/29/720077129.db2.gz ZRDXBNPJBUBBCN-HRAATJIYSA-N 1 1 436.934 4.013 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164709958 720102809 /nfs/dbraw/zinc/10/28/09/720102809.db2.gz DIJHPSXYDDKIRS-JOCHJYFZSA-N 1 1 445.567 4.171 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164717497 720105989 /nfs/dbraw/zinc/10/59/89/720105989.db2.gz POOCPHBNWGGPBX-QFIPXVFZSA-N 1 1 445.567 4.171 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164718067 720110444 /nfs/dbraw/zinc/11/04/44/720110444.db2.gz RJRAJZCSKBDCOF-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164714926 720121316 /nfs/dbraw/zinc/12/13/16/720121316.db2.gz FMRQZYRBBWMZMO-OAQYLSRUSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164716923 720123058 /nfs/dbraw/zinc/12/30/58/720123058.db2.gz LMAGBSYWFKBBDT-HXUWFJFHSA-N 1 1 442.567 4.014 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164719454 720126488 /nfs/dbraw/zinc/12/64/88/720126488.db2.gz XANSYJATHLPYGV-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164714376 720145055 /nfs/dbraw/zinc/14/50/55/720145055.db2.gz WQIVYVJPLADKQN-HXUWFJFHSA-N 1 1 442.007 4.218 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164712493 720155348 /nfs/dbraw/zinc/15/53/48/720155348.db2.gz MUOZJICAPBFPHJ-HXUWFJFHSA-N 1 1 449.624 4.254 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164816680 720181853 /nfs/dbraw/zinc/18/18/53/720181853.db2.gz MEEMXTLBMGDLKX-AMGIVPHBSA-N 1 1 428.580 4.482 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813394 720197597 /nfs/dbraw/zinc/19/75/97/720197597.db2.gz PDIFETDXSTXNET-YADARESESA-N 1 1 442.991 4.415 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731017 720378222 /nfs/dbraw/zinc/37/82/22/720378222.db2.gz YAYYIGXZLAYJAM-ROUUACIJSA-N 1 1 433.865 4.215 20 0 IIADMO Fc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731017 720378230 /nfs/dbraw/zinc/37/82/30/720378230.db2.gz YAYYIGXZLAYJAM-ROUUACIJSA-N 1 1 433.865 4.215 20 0 IIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730909 720434125 /nfs/dbraw/zinc/43/41/25/720434125.db2.gz JPGBEAHJFGRIRD-VQTJNVASSA-N 1 1 436.943 4.313 20 0 IIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732522 720436386 /nfs/dbraw/zinc/43/63/86/720436386.db2.gz NYWCRVKFRGHINX-VEXUSMLFSA-N 1 1 428.584 4.257 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164728522 720441259 /nfs/dbraw/zinc/44/12/59/720441259.db2.gz FOCUXYODZFIUSB-VXKWHMMOSA-N 1 1 433.943 4.236 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726990 720446988 /nfs/dbraw/zinc/44/69/88/720446988.db2.gz CPEYLBMNWKTVIG-MSOLQXFVSA-N 1 1 431.874 4.183 20 0 IIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726990 720446996 /nfs/dbraw/zinc/44/69/96/720446996.db2.gz CPEYLBMNWKTVIG-MSOLQXFVSA-N 1 1 431.874 4.183 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835002 720538722 /nfs/dbraw/zinc/53/87/22/720538722.db2.gz GOJVQSOZTKDMAB-ZYLNGJIFSA-N 1 1 441.583 4.199 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838482 720545005 /nfs/dbraw/zinc/54/50/05/720545005.db2.gz OAQZBJUYPKVHFG-TXPKVOOTSA-N 1 1 448.949 4.336 20 0 IIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164833711 720570548 /nfs/dbraw/zinc/57/05/48/720570548.db2.gz BERXCBYORHOMEK-XQBPLPMBSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842202 720590377 /nfs/dbraw/zinc/59/03/77/720590377.db2.gz ULBZRDNBEJGNKJ-DJPFJPOOSA-N 1 1 449.990 4.339 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]21 ZINC001164839512 720620544 /nfs/dbraw/zinc/62/05/44/720620544.db2.gz NVYFTKPSTKUMRV-XWGVYQGASA-N 1 1 449.574 4.374 20 0 IIADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164837274 720628035 /nfs/dbraw/zinc/62/80/35/720628035.db2.gz HVZGODCPRSFEIK-YFNKSVMNSA-N 1 1 445.615 4.209 20 0 IIADMO 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 720647500 /nfs/dbraw/zinc/64/75/00/720647500.db2.gz QAJDZAQNMFTDKY-HOJAQTOUSA-N 1 1 449.977 4.429 20 0 IIADMO 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 720648034 /nfs/dbraw/zinc/64/80/34/720648034.db2.gz PDJCALFVBGSOHN-IHPCNDPISA-N 1 1 449.977 4.429 20 0 IIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842451 720661639 /nfs/dbraw/zinc/66/16/39/720661639.db2.gz RQLJUPNBTBBAJI-GOSISDBHSA-N 1 1 436.934 4.243 20 0 IIADMO CCOc1ccc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844950 720694199 /nfs/dbraw/zinc/69/41/99/720694199.db2.gz WXJWCSNLQRFGPS-NRFANRHFSA-N 1 1 432.568 4.288 20 0 IIADMO COc1ccccc1-c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164836432 720713392 /nfs/dbraw/zinc/71/33/92/720713392.db2.gz AIGMTEVBBOQMCJ-QFIPXVFZSA-N 1 1 444.579 4.412 20 0 IIADMO Cc1cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)nn1 ZINC001164837579 720713913 /nfs/dbraw/zinc/71/39/13/720713913.db2.gz DWLJSANQNNGWLU-GOSISDBHSA-N 1 1 436.934 4.243 20 0 IIADMO COc1ccc(-c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)cc1 ZINC001164838371 720715395 /nfs/dbraw/zinc/71/53/95/720715395.db2.gz IHROSEVKOBSUOL-QHCPKHFHSA-N 1 1 444.579 4.412 20 0 IIADMO CSc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840880 720727282 /nfs/dbraw/zinc/72/72/82/720727282.db2.gz RGSJOARPKQYEDY-GOSISDBHSA-N 1 1 430.643 4.180 20 0 IIADMO COc1cc(C)c2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838077 720729663 /nfs/dbraw/zinc/72/96/63/720729663.db2.gz QWLQZDLWJVKYRF-NRFANRHFSA-N 1 1 432.568 4.207 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164846830 720754884 /nfs/dbraw/zinc/75/48/84/720754884.db2.gz KDBRNGZRJMHHMB-HXOBKFHXSA-N 1 1 429.634 4.178 20 0 IIADMO COC[C@@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164851026 720827525 /nfs/dbraw/zinc/82/75/25/720827525.db2.gz WEWDSJSJDYJATE-CYFREDJKSA-N 1 1 444.645 4.316 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCCC[C@@]3(COC)C2)n1 ZINC001164847024 720828375 /nfs/dbraw/zinc/82/83/75/720828375.db2.gz HPMBBNWMFDOFNJ-MBSDFSHPSA-N 1 1 432.634 4.172 20 0 IIADMO Fc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750760 720879550 /nfs/dbraw/zinc/87/95/50/720879550.db2.gz JRSMLOHDQPCTQP-AUSIDOKSSA-N 1 1 430.955 4.024 20 0 IIADMO c1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164751738 720881952 /nfs/dbraw/zinc/88/19/52/720881952.db2.gz DDXGVQRQKSVTFP-RCZVLFRGSA-N 1 1 434.609 4.446 20 0 IIADMO Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164750022 720882321 /nfs/dbraw/zinc/88/23/21/720882321.db2.gz IHNNPCXLFADIMS-NVQXNPDNSA-N 1 1 431.584 4.021 20 0 IIADMO F[C@H](c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757910 720889281 /nfs/dbraw/zinc/88/92/81/720889281.db2.gz WJRVPGHMFQTGDQ-YFNKSVMNSA-N 1 1 444.982 4.349 20 0 IIADMO Cc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164755986 720892383 /nfs/dbraw/zinc/89/23/83/720892383.db2.gz NXQKZYPXEMXCSW-SHQCIBLASA-N 1 1 443.595 4.088 20 0 IIADMO CC(C)Oc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758169 720894672 /nfs/dbraw/zinc/89/46/72/720894672.db2.gz XIXDLPKQRPNPPD-OZXSUGGESA-N 1 1 436.600 4.019 20 0 IIADMO CSc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164747190 720906197 /nfs/dbraw/zinc/90/61/97/720906197.db2.gz BZALKGXSNDVNCY-WIOPSUGQSA-N 1 1 438.641 4.262 20 0 IIADMO Cc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001164746530 720919398 /nfs/dbraw/zinc/91/93/98/720919398.db2.gz BKGCAIGYRZFQHI-NVQXNPDNSA-N 1 1 432.568 4.286 20 0 IIADMO CCSc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164746537 720931699 /nfs/dbraw/zinc/93/16/99/720931699.db2.gz BLHKVOLJPHPBBN-RCZVLFRGSA-N 1 1 438.641 4.344 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@@H]2C ZINC001164859929 720939270 /nfs/dbraw/zinc/93/92/70/720939270.db2.gz OOCWUUUPNIMZME-CQSZACIVSA-N 1 1 434.922 4.446 20 0 IIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864897 721016167 /nfs/dbraw/zinc/01/61/67/721016167.db2.gz ZZOJPBNDABKSRC-MRXNPFEDSA-N 1 1 425.968 4.118 20 0 IIADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862702 721034458 /nfs/dbraw/zinc/03/44/58/721034458.db2.gz OWZHLRSGJMUVPE-UHFFFAOYSA-N 1 1 444.873 4.044 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771008 721101022 /nfs/dbraw/zinc/10/10/22/721101022.db2.gz QVPINARJVROTDN-VXGBXAGGSA-N 1 1 435.186 4.387 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768135 721112905 /nfs/dbraw/zinc/11/29/05/721112905.db2.gz NJLUAEQGXWOLKD-QZTJIDSGSA-N 1 1 431.918 4.125 20 0 IIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866705 721119469 /nfs/dbraw/zinc/11/94/69/721119469.db2.gz USRJRDLEHSLTKY-QZTJIDSGSA-N 1 1 444.913 4.308 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766663 721166670 /nfs/dbraw/zinc/16/66/70/721166670.db2.gz IZUODXFCWLNUNF-MSOLQXFVSA-N 1 1 431.918 4.125 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766669 721166763 /nfs/dbraw/zinc/16/67/63/721166763.db2.gz IZUODXFCWLNUNF-QZTJIDSGSA-N 1 1 431.918 4.125 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874436 721183041 /nfs/dbraw/zinc/18/30/41/721183041.db2.gz JXPKAJJHZPTUFA-WOJBJXKFSA-N 1 1 427.980 4.052 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(OCc5ccccc5)cc4Cl)C[C@H]3C2)cn1 ZINC001164767623 721183680 /nfs/dbraw/zinc/18/36/80/721183680.db2.gz KFYMIQPOUHCFSN-LEWJYISDSA-N 1 1 437.975 4.006 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772414 721200274 /nfs/dbraw/zinc/20/02/74/721200274.db2.gz UOBRYPWVTCPSLL-RTWAWAEBSA-N 1 1 442.542 4.128 20 0 IIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772322 721224055 /nfs/dbraw/zinc/22/40/55/721224055.db2.gz SCQXCLKUHARBPN-MSOLQXFVSA-N 1 1 431.918 4.125 20 0 IIADMO COc1ccccc1-c1cc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(Cl)nn1 ZINC001164775097 721303270 /nfs/dbraw/zinc/30/32/70/721303270.db2.gz PFYODIBQDUPHLU-UHFFFAOYSA-N 1 1 434.918 4.273 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787691 721368533 /nfs/dbraw/zinc/36/85/33/721368533.db2.gz ZJCWODITMOXPLD-QHCPKHFHSA-N 1 1 445.995 4.040 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787691 721368534 /nfs/dbraw/zinc/36/85/34/721368534.db2.gz ZJCWODITMOXPLD-QHCPKHFHSA-N 1 1 445.995 4.040 20 0 IIADMO COc1ccc(-c2csc3ncnc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164788221 721424814 /nfs/dbraw/zinc/42/48/14/721424814.db2.gz SKACVVCWWVXIHJ-IAGOWNOFSA-N 1 1 449.605 4.392 20 0 IIADMO c1csc(C[NH+]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)n1 ZINC001164782775 721435253 /nfs/dbraw/zinc/43/52/53/721435253.db2.gz IBJAZARBCFNNGL-PMACEKPBSA-N 1 1 443.576 4.234 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780872 721436869 /nfs/dbraw/zinc/43/68/69/721436869.db2.gz AWCNEJVSOMHNFZ-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164780872 721436870 /nfs/dbraw/zinc/43/68/70/721436870.db2.gz AWCNEJVSOMHNFZ-OKILXGFUSA-N 1 1 431.924 4.086 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164787743 721449565 /nfs/dbraw/zinc/44/95/65/721449565.db2.gz QBKNUJJCQYYLLB-IBGZPJMESA-N 1 1 443.966 4.014 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164786898 721457930 /nfs/dbraw/zinc/45/79/30/721457930.db2.gz QKAJWKCXZDIFPN-JOCHJYFZSA-N 1 1 427.564 4.108 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164898664 721502299 /nfs/dbraw/zinc/50/22/99/721502299.db2.gz SZQSQNLECKKCTH-PKTZIBPZSA-N 1 1 442.648 4.166 20 0 IIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC[N@H+]3C2)c1 ZINC001164899753 721514366 /nfs/dbraw/zinc/51/43/66/721514366.db2.gz MIGLCSNNVRISQJ-RDJZCZTQSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810584 721529039 /nfs/dbraw/zinc/52/90/39/721529039.db2.gz XHPPJAHDIUQPHD-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810584 721529042 /nfs/dbraw/zinc/52/90/42/721529042.db2.gz XHPPJAHDIUQPHD-LZLYRXPVSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164804473 721529917 /nfs/dbraw/zinc/52/99/17/721529917.db2.gz JYSRCECGQRWYDD-FCEWJHQRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164804473 721529919 /nfs/dbraw/zinc/52/99/19/721529919.db2.gz JYSRCECGQRWYDD-FCEWJHQRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802562 721532381 /nfs/dbraw/zinc/53/23/81/721532381.db2.gz HAFXZUXRZBZJCO-RCCFBDPRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802562 721532386 /nfs/dbraw/zinc/53/23/86/721532386.db2.gz HAFXZUXRZBZJCO-RCCFBDPRSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164808944 721540325 /nfs/dbraw/zinc/54/03/25/721540325.db2.gz SNJNKXIAODVESJ-YZUZCNPQSA-N 1 1 435.959 4.060 20 0 IIADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903380 721550001 /nfs/dbraw/zinc/55/00/01/721550001.db2.gz CGPPRJIJNXLSOF-SJLPKXTDSA-N 1 1 429.927 4.147 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c32)C1 ZINC001164807214 721552591 /nfs/dbraw/zinc/55/25/91/721552591.db2.gz QNRCZNKHTTXRJA-KNLNXMFASA-N 1 1 449.624 4.079 20 0 IIADMO C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c32)C1 ZINC001164807214 721552594 /nfs/dbraw/zinc/55/25/94/721552594.db2.gz QNRCZNKHTTXRJA-KNLNXMFASA-N 1 1 449.624 4.079 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164908665 721565585 /nfs/dbraw/zinc/56/55/85/721565585.db2.gz RLKUTPIEGXJJLY-TZIWHRDSSA-N 1 1 436.556 4.250 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)c1 ZINC001164807413 721570238 /nfs/dbraw/zinc/57/02/38/721570238.db2.gz TTZWGPOEADUUIN-HWBMXIPRSA-N 1 1 447.608 4.199 20 0 IIADMO Cc1cccc(Sc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)c1 ZINC001164807413 721570242 /nfs/dbraw/zinc/57/02/42/721570242.db2.gz TTZWGPOEADUUIN-HWBMXIPRSA-N 1 1 447.608 4.199 20 0 IIADMO CCCCOc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806799 721572059 /nfs/dbraw/zinc/57/20/59/721572059.db2.gz RTPJFMFGJGERQI-FKBYEOEOSA-N 1 1 430.980 4.177 20 0 IIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164800190 721581457 /nfs/dbraw/zinc/58/14/57/721581457.db2.gz CKSSDZCCHJXQCV-FUDKSRODSA-N 1 1 449.986 4.369 20 0 IIADMO Cc1sc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908339 721587197 /nfs/dbraw/zinc/58/71/97/721587197.db2.gz YKGGAAITKFXFAX-NRFANRHFSA-N 1 1 429.540 4.441 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164811300 721587631 /nfs/dbraw/zinc/58/76/31/721587631.db2.gz XFPJRMQJIABWEB-BDTNDASRSA-N 1 1 426.923 4.291 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810837 721588294 /nfs/dbraw/zinc/58/82/94/721588294.db2.gz WKJOTHBJYHTWSU-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810837 721588296 /nfs/dbraw/zinc/58/82/96/721588296.db2.gz WKJOTHBJYHTWSU-GGPKGHCWSA-N 1 1 444.366 4.200 20 0 IIADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907858 721697956 /nfs/dbraw/zinc/69/79/56/721697956.db2.gz VFQANNBRMCEYKC-SFHVURJKSA-N 1 1 443.876 4.116 20 0 IIADMO FC1(F)CCN(c2ccc3nccc(Cl)c3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906078 721719866 /nfs/dbraw/zinc/71/98/66/721719866.db2.gz JQWLFTQLNFYYPI-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCc1nc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912131 721728196 /nfs/dbraw/zinc/72/81/96/721728196.db2.gz MBJXGJBNWWRDOM-LJQANCHMSA-N 1 1 442.341 4.479 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164911414 721754648 /nfs/dbraw/zinc/75/46/48/721754648.db2.gz VKPNLLNWDHSAJV-UHFFFAOYSA-N 1 1 434.540 4.220 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164911414 721754652 /nfs/dbraw/zinc/75/46/52/721754652.db2.gz VKPNLLNWDHSAJV-UHFFFAOYSA-N 1 1 434.540 4.220 20 0 IIADMO COc1cc2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164911871 721757189 /nfs/dbraw/zinc/75/71/89/721757189.db2.gz ZZIUORRNZBOXFB-UHFFFAOYSA-N 1 1 444.535 4.435 20 0 IIADMO COc1cc2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164911871 721757191 /nfs/dbraw/zinc/75/71/91/721757191.db2.gz ZZIUORRNZBOXFB-UHFFFAOYSA-N 1 1 444.535 4.435 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3COC4(C)C)C[C@@H]21 ZINC001165026888 721807328 /nfs/dbraw/zinc/80/73/28/721807328.db2.gz SAQGFJHKBYTNKY-HHXXYDBFSA-N 1 1 427.980 4.027 20 0 IIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027571 721807583 /nfs/dbraw/zinc/80/75/83/721807583.db2.gz WJQSMCRWWSTZIE-SXLOBPIMSA-N 1 1 442.991 4.352 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164917077 721811395 /nfs/dbraw/zinc/81/13/95/721811395.db2.gz KDUVVLHLUVVQRY-SEDAZVQISA-N 1 1 442.629 4.286 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]21 ZINC001165027781 721815491 /nfs/dbraw/zinc/81/54/91/721815491.db2.gz VXTUILDEQGNKGD-UEVCKROQSA-N 1 1 440.035 4.463 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001165025740 721824808 /nfs/dbraw/zinc/82/48/08/721824808.db2.gz NOTOHVMHVDJTJJ-XFQXTVEOSA-N 1 1 447.961 4.296 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]21 ZINC001165024011 721828949 /nfs/dbraw/zinc/82/89/49/721828949.db2.gz JHICGENIYLMUQL-BAGYTPMASA-N 1 1 430.556 4.141 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@H]21 ZINC001165024026 721831969 /nfs/dbraw/zinc/83/19/69/721831969.db2.gz JIQALNLZMBOLGU-BSLALVQMSA-N 1 1 430.531 4.382 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C)nc(Cl)n2)CC1 ZINC001165023440 721839807 /nfs/dbraw/zinc/83/98/07/721839807.db2.gz XJJNVFZABGAVAI-UHFFFAOYSA-N 1 1 440.922 4.101 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164931898 721879802 /nfs/dbraw/zinc/87/98/02/721879802.db2.gz GOTLTZJGPOHCDG-IAGOWNOFSA-N 1 1 427.643 4.251 20 0 IIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164931898 721879803 /nfs/dbraw/zinc/87/98/03/721879803.db2.gz GOTLTZJGPOHCDG-IAGOWNOFSA-N 1 1 427.643 4.251 20 0 IIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164942475 721933648 /nfs/dbraw/zinc/93/36/48/721933648.db2.gz MDHKIZVTMWITOY-UHFFFAOYSA-N 1 1 431.584 4.405 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164949897 721968057 /nfs/dbraw/zinc/96/80/57/721968057.db2.gz ZGSMRXCGKMNFNP-SLQPCKNISA-N 1 1 432.612 4.397 20 0 IIADMO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954813 722013434 /nfs/dbraw/zinc/01/34/34/722013434.db2.gz OOXNXFHXQLRRCB-UHFFFAOYSA-N 1 1 433.600 4.032 20 0 IIADMO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953583 722018341 /nfs/dbraw/zinc/01/83/41/722018341.db2.gz VCGDZOGGDYFSKJ-UHFFFAOYSA-N 1 1 427.552 4.221 20 0 IIADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955266 722020771 /nfs/dbraw/zinc/02/07/71/722020771.db2.gz CLZLSJYVMOBMFE-UHFFFAOYSA-N 1 1 442.341 4.302 20 0 IIADMO COc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2c1 ZINC001164964134 722057743 /nfs/dbraw/zinc/05/77/43/722057743.db2.gz RUMIAHDUBOFLOX-UHFFFAOYSA-N 1 1 432.568 4.066 20 0 IIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985828 722101619 /nfs/dbraw/zinc/10/16/19/722101619.db2.gz XBMFDKXVGUEJHK-RDJZCZTQSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982066 722102043 /nfs/dbraw/zinc/10/20/43/722102043.db2.gz MRJWDFXTRVXWAJ-DOTOQJQBSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984708 722103002 /nfs/dbraw/zinc/10/30/02/722103002.db2.gz UCKWAKQNWWQVLY-QAPCUYQASA-N 1 1 443.325 4.056 20 0 IIADMO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164973838 722117753 /nfs/dbraw/zinc/11/77/53/722117753.db2.gz HJSNRTFVMMDWLQ-VQIMIIECSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cccc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(Cl)nc12 ZINC001164977894 722155858 /nfs/dbraw/zinc/15/58/58/722155858.db2.gz ZDWREODKQGXMOG-DYESRHJHSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972742 722157271 /nfs/dbraw/zinc/15/72/71/722157271.db2.gz JKQATRCQNKMTEL-APWZRJJASA-N 1 1 444.366 4.059 20 0 IIADMO CCOC(=O)c1cc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164996676 722204383 /nfs/dbraw/zinc/20/43/83/722204383.db2.gz VFMHWVGLWCMMLH-QHCPKHFHSA-N 1 1 440.544 4.252 20 0 IIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994933 722205859 /nfs/dbraw/zinc/20/58/59/722205859.db2.gz JVBVSEAEFXNNEN-GOSISDBHSA-N 1 1 428.911 4.348 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994933 722205863 /nfs/dbraw/zinc/20/58/63/722205863.db2.gz JVBVSEAEFXNNEN-GOSISDBHSA-N 1 1 428.911 4.348 20 0 IIADMO Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996496 722211667 /nfs/dbraw/zinc/21/16/67/722211667.db2.gz NPZJSOWBPQVJOT-AREMUKBSSA-N 1 1 445.542 4.421 20 0 IIADMO NC(=S)c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995707 722213797 /nfs/dbraw/zinc/21/37/97/722213797.db2.gz KBJSWPUIRXHFSI-JOCHJYFZSA-N 1 1 426.586 4.315 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1 ZINC001308117438 1126163301 /nfs/dbraw/zinc/16/33/01/1126163301.db2.gz JZLPLBDDXSQRON-JOCHJYFZSA-N 1 1 431.508 4.189 20 0 IIADMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1 ZINC000028768472 563064206 /nfs/dbraw/zinc/06/42/06/563064206.db2.gz MPSBVAIRNBRYCN-UHFFFAOYSA-N 1 1 438.369 4.154 20 0 IIADMO FC(F)(F)[C@H]1N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389737 718814356 /nfs/dbraw/zinc/81/43/56/718814356.db2.gz YNTONJPEYGYNAL-QFIPXVFZSA-N 1 1 430.518 4.151 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164401473 718858342 /nfs/dbraw/zinc/85/83/42/718858342.db2.gz FDPOKPRTZWZNKC-RBUKOAKNSA-N 1 1 447.608 4.466 20 0 IIADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164439024 718992396 /nfs/dbraw/zinc/99/23/96/718992396.db2.gz AQPQVJMSJLMTBX-MRXNPFEDSA-N 1 1 436.629 4.327 20 0 IIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2n1 ZINC001164621011 719067577 /nfs/dbraw/zinc/06/75/77/719067577.db2.gz GBSNHXGNSHTZMW-UONOGXRCSA-N 1 1 449.773 4.481 20 0 IIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC001164626531 719075794 /nfs/dbraw/zinc/07/57/94/719075794.db2.gz OGIGJODYUYCGGE-APWZRJJASA-N 1 1 435.902 4.167 20 0 IIADMO O=C(c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCCCC1 ZINC001164630517 719099307 /nfs/dbraw/zinc/09/93/07/719099307.db2.gz WTZCIHIBTHLVQG-NZQKXSOJSA-N 1 1 439.003 4.462 20 0 IIADMO COc1ccc(OC)c(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164622306 719103291 /nfs/dbraw/zinc/10/32/91/719103291.db2.gz BROUMYALJZRZOA-HYBUGGRVSA-N 1 1 430.552 4.262 20 0 IIADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623312 719114334 /nfs/dbraw/zinc/11/43/34/719114334.db2.gz CMJJMTRBORUMOV-CVEARBPZSA-N 1 1 449.958 4.471 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164654521 719317415 /nfs/dbraw/zinc/31/74/15/719317415.db2.gz QVVQMOLUVKQSNX-UHFFFAOYSA-N 1 1 444.942 4.463 20 0 IIADMO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164671629 719446432 /nfs/dbraw/zinc/44/64/32/719446432.db2.gz QNIYPCANORLKCE-IAGOWNOFSA-N 1 1 446.523 4.096 20 0 IIADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(C4CCC4)nc4[nH]ccc42)CC3)cc1 ZINC001164678567 719533443 /nfs/dbraw/zinc/53/34/43/719533443.db2.gz LTVJDIKCMLBDBT-UHFFFAOYSA-N 1 1 435.547 4.236 20 0 IIADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(C4CCC4)nc4[nH]ccc42)CC3)cc1 ZINC001164678567 719533457 /nfs/dbraw/zinc/53/34/57/719533457.db2.gz LTVJDIKCMLBDBT-UHFFFAOYSA-N 1 1 435.547 4.236 20 0 IIADMO COC(=O)c1cccc2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ccc21 ZINC001164693845 719815151 /nfs/dbraw/zinc/81/51/51/719815151.db2.gz YXRJOWPQIZYYGP-UHFFFAOYSA-N 1 1 436.581 4.421 20 0 IIADMO Fc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695349 719888391 /nfs/dbraw/zinc/88/83/91/719888391.db2.gz OXPNSKFKKOITCM-UHFFFAOYSA-N 1 1 431.911 4.352 20 0 IIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ccn5C4CCCC4)CC3)C2)c1 ZINC001164699001 719893451 /nfs/dbraw/zinc/89/34/51/719893451.db2.gz VJSAYLPLFWHGHY-UHFFFAOYSA-N 1 1 437.613 4.479 20 0 IIADMO CCCN(CCC)c1cncc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699303 719896050 /nfs/dbraw/zinc/89/60/50/719896050.db2.gz ZLOIGACNNXEFOB-UHFFFAOYSA-N 1 1 429.634 4.036 20 0 IIADMO CCO[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164711559 720065587 /nfs/dbraw/zinc/06/55/87/720065587.db2.gz IKDZGEQQPNPNPX-NNMXDRDESA-N 1 1 438.597 4.193 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164712529 720101327 /nfs/dbraw/zinc/10/13/27/720101327.db2.gz WTMDAFLNVBPGKS-HSZRJFAPSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164710270 720101424 /nfs/dbraw/zinc/10/14/24/720101424.db2.gz IDGCFXPZQGLYQE-LJQANCHMSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164717341 720121586 /nfs/dbraw/zinc/12/15/86/720121586.db2.gz NGHTXRZMVWFBRJ-HXUWFJFHSA-N 1 1 449.624 4.254 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164712229 720140946 /nfs/dbraw/zinc/14/09/46/720140946.db2.gz LGILGIQWBAIZBR-QHCPKHFHSA-N 1 1 429.568 4.046 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)C2 ZINC001164810791 720197563 /nfs/dbraw/zinc/19/75/63/720197563.db2.gz CPNISAWEXRPCCG-YADARESESA-N 1 1 442.991 4.415 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)C2 ZINC001164813392 720198143 /nfs/dbraw/zinc/19/81/43/720198143.db2.gz PDIFETDXSTXNET-NTKDMRAZSA-N 1 1 442.991 4.415 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001164813473 720198274 /nfs/dbraw/zinc/19/82/74/720198274.db2.gz QAGVLRSPCZFWIY-GAJHUEQPSA-N 1 1 446.954 4.246 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164730522 720355060 /nfs/dbraw/zinc/35/50/60/720355060.db2.gz ZZXQSGRTTCLFTA-SJORKVTESA-N 1 1 433.865 4.215 20 0 IIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164730522 720355068 /nfs/dbraw/zinc/35/50/68/720355068.db2.gz ZZXQSGRTTCLFTA-SJORKVTESA-N 1 1 433.865 4.215 20 0 IIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732044 720477470 /nfs/dbraw/zinc/47/74/70/720477470.db2.gz YIPIAFBWSHIOHR-ROUUACIJSA-N 1 1 425.895 4.310 20 0 IIADMO O[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]1Cc1ccccc1 ZINC001164830401 720492513 /nfs/dbraw/zinc/49/25/13/720492513.db2.gz BJPBHLPVDCKEHK-LEWJYISDSA-N 1 1 448.636 4.348 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841255 720521753 /nfs/dbraw/zinc/52/17/53/720521753.db2.gz XYXORXHHKUVBRO-FDFHNCONSA-N 1 1 436.991 4.371 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)nc1 ZINC001164734411 720541597 /nfs/dbraw/zinc/54/15/97/720541597.db2.gz IDISEARXPGTJQR-PLXFJCCSSA-N 1 1 436.600 4.478 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839163 720548310 /nfs/dbraw/zinc/54/83/10/720548310.db2.gz PRKTUFVSWSARAM-RZUBCFFCSA-N 1 1 436.991 4.371 20 0 IIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCC3 ZINC001164842882 720600644 /nfs/dbraw/zinc/60/06/44/720600644.db2.gz WFEMKFJFGZFAJY-CMKODMSKSA-N 1 1 436.629 4.063 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3OCc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839511 720619985 /nfs/dbraw/zinc/61/99/85/720619985.db2.gz NVYFTKPSTKUMRV-OEMFJLHTSA-N 1 1 449.574 4.374 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)nc3-c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844130 720620985 /nfs/dbraw/zinc/62/09/85/720620985.db2.gz YXOWQIAIXHJZRF-PCCBWWKXSA-N 1 1 436.991 4.371 20 0 IIADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164837268 720627560 /nfs/dbraw/zinc/62/75/60/720627560.db2.gz HVZGODCPRSFEIK-OEMFJLHTSA-N 1 1 445.615 4.209 20 0 IIADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1-c1ccccc1F ZINC001164841536 720640121 /nfs/dbraw/zinc/64/01/21/720640121.db2.gz SPZNOUGBKFWOID-ZRCGQRJVSA-N 1 1 434.563 4.165 20 0 IIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837641 720653025 /nfs/dbraw/zinc/65/30/25/720653025.db2.gz DQEFEVSIYHNYIH-QHAWAJNXSA-N 1 1 439.991 4.471 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164842716 720667825 /nfs/dbraw/zinc/66/78/25/720667825.db2.gz TYQTYTXZCNTECG-OAQYLSRUSA-N 1 1 449.986 4.452 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164838298 720675549 /nfs/dbraw/zinc/67/55/49/720675549.db2.gz HBGUBOSBRXGVGI-SFHVURJKSA-N 1 1 437.918 4.420 20 0 IIADMO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164842687 720693252 /nfs/dbraw/zinc/69/32/52/720693252.db2.gz MPAJGSSOEGNEDB-FQEVSTJZSA-N 1 1 443.975 4.172 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164842669 720694050 /nfs/dbraw/zinc/69/40/50/720694050.db2.gz MKPQODBLXBMLEA-QGZVFWFLSA-N 1 1 444.004 4.308 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164839687 720694924 /nfs/dbraw/zinc/69/49/24/720694924.db2.gz BGGVMXUGXLPMIB-HXUWFJFHSA-N 1 1 427.552 4.371 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(N)cc(Cl)n1)CC2 ZINC001164843360 720698309 /nfs/dbraw/zinc/69/83/09/720698309.db2.gz ONOPVMCIAFAFCK-GOSISDBHSA-N 1 1 436.934 4.122 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164842899 720726505 /nfs/dbraw/zinc/72/65/05/720726505.db2.gz ZYCLJAJBPPXGRC-NRFANRHFSA-N 1 1 449.986 4.452 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164836919 720726890 /nfs/dbraw/zinc/72/68/90/720726890.db2.gz BWQWDBOBMYJGAB-IBGZPJMESA-N 1 1 443.975 4.090 20 0 IIADMO COc1cc(C)c2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838079 720730081 /nfs/dbraw/zinc/73/00/81/720730081.db2.gz QWLQZDLWJVKYRF-OAQYLSRUSA-N 1 1 432.568 4.207 20 0 IIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c(Cl)cccc12 ZINC001164742963 720841265 /nfs/dbraw/zinc/84/12/65/720841265.db2.gz HOWMMARTIWGPOS-WOIUINJBSA-N 1 1 436.991 4.168 20 0 IIADMO Cc1csc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164752258 720869575 /nfs/dbraw/zinc/86/95/75/720869575.db2.gz MJMYNKVBQVDSHG-PXDATVDWSA-N 1 1 449.624 4.150 20 0 IIADMO Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752998 720880216 /nfs/dbraw/zinc/88/02/16/720880216.db2.gz OGAWSEYLRCTOGX-HOFKKMOUSA-N 1 1 443.595 4.088 20 0 IIADMO Fc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758133 720887386 /nfs/dbraw/zinc/88/73/86/720887386.db2.gz WZYDWKOCGWSANF-XXBNENTESA-N 1 1 430.955 4.024 20 0 IIADMO Cc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc12 ZINC001164752291 720908145 /nfs/dbraw/zinc/90/81/45/720908145.db2.gz NVJKYFFMUHZTJB-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)(C)C)n1 ZINC001164755110 720918965 /nfs/dbraw/zinc/91/89/65/720918965.db2.gz YKEYEUQDBRMFNS-WNCULLNHSA-N 1 1 449.643 4.233 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@H]2C ZINC001164859927 720940095 /nfs/dbraw/zinc/94/00/95/720940095.db2.gz OOCWUUUPNIMZME-AWEZNQCLSA-N 1 1 434.922 4.446 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@H]2C ZINC001164856439 721008446 /nfs/dbraw/zinc/00/84/46/721008446.db2.gz AIJQRUDCOVQMKM-IBGZPJMESA-N 1 1 433.556 4.057 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164763813 721031605 /nfs/dbraw/zinc/03/16/05/721031605.db2.gz LJSUZCCUTWFHMZ-GSLIJJQTSA-N 1 1 436.600 4.368 20 0 IIADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164770986 721161927 /nfs/dbraw/zinc/16/19/27/721161927.db2.gz RUDRKUJJFXDVDR-GOTSBHOMSA-N 1 1 438.579 4.297 20 0 IIADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879450 721167246 /nfs/dbraw/zinc/16/72/46/721167246.db2.gz SGNQNCCRFZUMHW-PMACEKPBSA-N 1 1 444.913 4.308 20 0 IIADMO Clc1ccc(Cl)c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc12 ZINC001164872199 721179728 /nfs/dbraw/zinc/17/97/28/721179728.db2.gz GUQOSNHWWCIZFI-DLBZAZTESA-N 1 1 429.351 4.416 20 0 IIADMO Cc1sc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773830 721201371 /nfs/dbraw/zinc/20/13/71/721201371.db2.gz XIZFXZHFJTZHSQ-LEWJYISDSA-N 1 1 444.608 4.359 20 0 IIADMO Cc1sc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164773831 721202562 /nfs/dbraw/zinc/20/25/62/721202562.db2.gz XIZFXZHFJTZHSQ-NHCUHLMSSA-N 1 1 444.608 4.359 20 0 IIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763955 721236644 /nfs/dbraw/zinc/23/66/44/721236644.db2.gz OMOSBOPJKUDCMT-HOTGVXAUSA-N 1 1 431.918 4.167 20 0 IIADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1C ZINC001164769807 721298051 /nfs/dbraw/zinc/29/80/51/721298051.db2.gz NPZNVBHKSVAJLU-UHFFFAOYSA-N 1 1 425.646 4.216 20 0 IIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164875417 721326835 /nfs/dbraw/zinc/32/68/35/721326835.db2.gz KWVKWCMKKGSJAF-UHFFFAOYSA-N 1 1 427.908 4.038 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc(Cl)cc43)C2)C1 ZINC001164780026 721339516 /nfs/dbraw/zinc/33/95/16/721339516.db2.gz YOLIUXDUASXINC-HSZRJFAPSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780272 721363269 /nfs/dbraw/zinc/36/32/69/721363269.db2.gz FKVASCMKKAVVSR-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1csc2nc(C)nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164783043 721369768 /nfs/dbraw/zinc/36/97/68/721369768.db2.gz OXKHFTWWWDEIIQ-QHCPKHFHSA-N 1 1 441.601 4.032 20 0 IIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788954 721431320 /nfs/dbraw/zinc/43/13/20/721431320.db2.gz UNFISJGRFAIIGK-HZPDHXFCSA-N 1 1 447.942 4.367 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164780871 721436812 /nfs/dbraw/zinc/43/68/12/721436812.db2.gz AWCNEJVSOMHNFZ-KBPBESRZSA-N 1 1 431.924 4.086 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888237 721465464 /nfs/dbraw/zinc/46/54/64/721465464.db2.gz FKXUPJXDGQVQDM-OALUTQOASA-N 1 1 443.661 4.233 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164788035 721468677 /nfs/dbraw/zinc/46/86/77/721468677.db2.gz HRMSNYVQXFCZKU-HSZRJFAPSA-N 1 1 427.564 4.108 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164795739 721497505 /nfs/dbraw/zinc/49/75/05/721497505.db2.gz LHWIXIVJDLHGCT-UHFFFAOYSA-N 1 1 436.934 4.478 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164796341 721498490 /nfs/dbraw/zinc/49/84/90/721498490.db2.gz QSMVRRBZEFMDCO-UHFFFAOYSA-N 1 1 439.963 4.240 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CC[N@H+]3C2)c1 ZINC001164907613 721526711 /nfs/dbraw/zinc/52/67/11/721526711.db2.gz NQJQJFBKFVQSSB-SJLPKXTDSA-N 1 1 448.876 4.309 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164807808 721553123 /nfs/dbraw/zinc/55/31/23/721553123.db2.gz RJXNTIQIEJIWNT-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164807808 721553127 /nfs/dbraw/zinc/55/31/27/721553127.db2.gz RJXNTIQIEJIWNT-NUJGCVRESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]21 ZINC001164803035 721553720 /nfs/dbraw/zinc/55/37/20/721553720.db2.gz HLVGJNRCQWZGFT-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]21 ZINC001164803035 721553721 /nfs/dbraw/zinc/55/37/21/721553721.db2.gz HLVGJNRCQWZGFT-VAMGGRTRSA-N 1 1 444.366 4.200 20 0 IIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164909174 721555432 /nfs/dbraw/zinc/55/54/32/721555432.db2.gz SHJXZPOTTVHNEB-WBVHZDCISA-N 1 1 438.881 4.033 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CC[N@H+]3C2)c1 ZINC001164908029 721567200 /nfs/dbraw/zinc/56/72/00/721567200.db2.gz PGXFYVMDMLLISZ-IEBWSBKVSA-N 1 1 437.893 4.336 20 0 IIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CC[N@H+]3C2)c1 ZINC001164909186 721567390 /nfs/dbraw/zinc/56/73/90/721567390.db2.gz SPRNLYPONPKNLL-IEBWSBKVSA-N 1 1 437.893 4.336 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164806278 721584846 /nfs/dbraw/zinc/58/48/46/721584846.db2.gz MSWPOKKFSRPIGN-SGIRGMQISA-N 1 1 447.608 4.032 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164806278 721584848 /nfs/dbraw/zinc/58/48/48/721584848.db2.gz MSWPOKKFSRPIGN-SGIRGMQISA-N 1 1 447.608 4.032 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164805023 721590963 /nfs/dbraw/zinc/59/09/63/721590963.db2.gz JZRMVOSYMJYNAE-SBHAEUEKSA-N 1 1 448.945 4.118 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164805023 721590965 /nfs/dbraw/zinc/59/09/65/721590965.db2.gz JZRMVOSYMJYNAE-SBHAEUEKSA-N 1 1 448.945 4.118 20 0 IIADMO C[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007487 721692458 /nfs/dbraw/zinc/69/24/58/721692458.db2.gz CMJXSRMMFFZXKU-ZDWFVDTJSA-N 1 1 428.964 4.263 20 0 IIADMO FC1(F)CCN(c2nc(Cl)nc3c2CCCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904731 721692462 /nfs/dbraw/zinc/69/24/62/721692462.db2.gz FYOBOSHUVNLDIA-NRFANRHFSA-N 1 1 433.934 4.142 20 0 IIADMO CC(C)(C)OC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904924 721704157 /nfs/dbraw/zinc/70/41/57/721704157.db2.gz FRIGONRBYXHNNZ-HSZRJFAPSA-N 1 1 444.526 4.170 20 0 IIADMO CCc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH]1 ZINC001164906439 721720516 /nfs/dbraw/zinc/72/05/16/721720516.db2.gz LWWVBINOBBCQHI-OAQYLSRUSA-N 1 1 446.933 4.306 20 0 IIADMO Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)nn1 ZINC001164912961 721725855 /nfs/dbraw/zinc/72/58/55/721725855.db2.gz RUTHTZZTEBQCTI-SFHVURJKSA-N 1 1 443.876 4.116 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164908483 721747775 /nfs/dbraw/zinc/74/77/75/721747775.db2.gz KLFCQPACTIKRAB-UHFFFAOYSA-N 1 1 434.540 4.220 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164908483 721747778 /nfs/dbraw/zinc/74/77/78/721747778.db2.gz KLFCQPACTIKRAB-UHFFFAOYSA-N 1 1 434.540 4.220 20 0 IIADMO COc1cccc(-c2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)n2)c1 ZINC001164910889 721758483 /nfs/dbraw/zinc/75/84/83/721758483.db2.gz TWUCMUKPUFRNSL-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COc1cccc(-c2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)n2)c1 ZINC001164910889 721758485 /nfs/dbraw/zinc/75/84/85/721758485.db2.gz TWUCMUKPUFRNSL-UHFFFAOYSA-N 1 1 441.535 4.335 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911828 721761941 /nfs/dbraw/zinc/76/19/41/721761941.db2.gz SJZWSAYDNVCJJY-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO COC(=O)c1cc2ccccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911828 721761943 /nfs/dbraw/zinc/76/19/43/721761943.db2.gz SJZWSAYDNVCJJY-UHFFFAOYSA-N 1 1 442.519 4.204 20 0 IIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915943 721803258 /nfs/dbraw/zinc/80/32/58/721803258.db2.gz MOEQYZZQXVBCBY-REWPJTCUSA-N 1 1 442.558 4.161 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164915941 721803436 /nfs/dbraw/zinc/80/34/36/721803436.db2.gz MOEQYZZQXVBCBY-OFNKIYASSA-N 1 1 442.558 4.161 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165025807 721805049 /nfs/dbraw/zinc/80/50/49/721805049.db2.gz PFELISZSOLDGGG-YFNKSVMNSA-N 1 1 429.568 4.188 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165025805 721805101 /nfs/dbraw/zinc/80/51/01/721805101.db2.gz PFELISZSOLDGGG-OEMFJLHTSA-N 1 1 429.568 4.188 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4ccccc4)n3)C[C@H]21 ZINC001165025806 721805163 /nfs/dbraw/zinc/80/51/63/721805163.db2.gz PFELISZSOLDGGG-QPTUXGOLSA-N 1 1 429.568 4.188 20 0 IIADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165027688 721809594 /nfs/dbraw/zinc/80/95/94/721809594.db2.gz VNDCCGZCHCLAEK-ODGPQVTHSA-N 1 1 430.552 4.153 20 0 IIADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165027693 721809732 /nfs/dbraw/zinc/80/97/32/721809732.db2.gz VNDCCGZCHCLAEK-SSPYTLHUSA-N 1 1 430.552 4.153 20 0 IIADMO COc1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165025131 721811240 /nfs/dbraw/zinc/81/12/40/721811240.db2.gz LLGNILCOXZUBSE-WDYCEAGBSA-N 1 1 436.934 4.420 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025966 721814489 /nfs/dbraw/zinc/81/44/89/721814489.db2.gz ONNPJFKHQBDNDZ-VJBMBRPKSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025966 721814490 /nfs/dbraw/zinc/81/44/90/721814490.db2.gz ONNPJFKHQBDNDZ-VJBMBRPKSA-N 1 1 432.568 4.384 20 0 IIADMO COC(=O)c1ccc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027062 721822175 /nfs/dbraw/zinc/82/21/75/721822175.db2.gz RLRAZSKXMBOAFM-ZTCOLXNVSA-N 1 1 430.552 4.153 20 0 IIADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2)n1 ZINC001165027507 721827652 /nfs/dbraw/zinc/82/76/52/721827652.db2.gz SMKDVOSMTYMRNV-BVSLBCMMSA-N 1 1 432.572 4.387 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]21 ZINC001165024028 721831834 /nfs/dbraw/zinc/83/18/34/721831834.db2.gz JIQALNLZMBOLGU-QGCDCVKKSA-N 1 1 430.531 4.382 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)C[C@@H]21 ZINC001165021529 721832126 /nfs/dbraw/zinc/83/21/26/721832126.db2.gz FYNKWQPMUOLIBY-UIAACRFSSA-N 1 1 437.638 4.062 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)nc1 ZINC001164925021 721840599 /nfs/dbraw/zinc/84/05/99/721840599.db2.gz ZRJFQFREFKBCOO-FBILRYNDSA-N 1 1 436.600 4.083 20 0 IIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C)nnc2Cl)CC1 ZINC001165020337 721843725 /nfs/dbraw/zinc/84/37/25/721843725.db2.gz CPCVSYGSBNSTNY-UHFFFAOYSA-N 1 1 440.922 4.101 20 0 IIADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H](CO)C3)n2)CC1 ZINC001165032945 721878703 /nfs/dbraw/zinc/87/87/03/721878703.db2.gz IWQQBMYHILJHDS-MRXNPFEDSA-N 1 1 428.627 4.470 20 0 IIADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)s1 ZINC001164938966 721927516 /nfs/dbraw/zinc/92/75/16/721927516.db2.gz DUZSWANQHBNDEA-UHFFFAOYSA-N 1 1 444.004 4.228 20 0 IIADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164948332 721966675 /nfs/dbraw/zinc/96/66/75/721966675.db2.gz TZLFQSTVIOTERJ-RCZVLFRGSA-N 1 1 439.003 4.100 20 0 IIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164949890 721968043 /nfs/dbraw/zinc/96/80/43/721968043.db2.gz ZGSMRXCGKMNFNP-CMTIAEDTSA-N 1 1 432.612 4.397 20 0 IIADMO c1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c(N3CCCC3)nc2c1 ZINC001164955226 722021142 /nfs/dbraw/zinc/02/11/42/722021142.db2.gz ARLFJKKNFBPSAK-UHFFFAOYSA-N 1 1 428.584 4.118 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)nc1 ZINC001164958297 722029990 /nfs/dbraw/zinc/02/99/90/722029990.db2.gz OMMSBJQSOHGPEU-AZKZNFPZSA-N 1 1 440.563 4.368 20 0 IIADMO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc(C)c2c1 ZINC001164962471 722056057 /nfs/dbraw/zinc/05/60/57/722056057.db2.gz DUICKIOFVFZPFA-UHFFFAOYSA-N 1 1 432.568 4.066 20 0 IIADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164967361 722078102 /nfs/dbraw/zinc/07/81/02/722078102.db2.gz BMBMFHQAEBVDTD-BGYRXZFFSA-N 1 1 449.929 4.255 20 0 IIADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164967361 722078104 /nfs/dbraw/zinc/07/81/04/722078104.db2.gz BMBMFHQAEBVDTD-BGYRXZFFSA-N 1 1 449.929 4.255 20 0 IIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985256 722101501 /nfs/dbraw/zinc/10/15/01/722101501.db2.gz VUCLJFFBPZJSFZ-CRAIPNDOSA-N 1 1 443.325 4.056 20 0 IIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982137 722103017 /nfs/dbraw/zinc/10/30/17/722103017.db2.gz MZAZAWIMCPJARV-MAUKXSAKSA-N 1 1 443.325 4.056 20 0 IIADMO Fc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985262 722107838 /nfs/dbraw/zinc/10/78/38/722107838.db2.gz VWIYKHXREHYYGY-HTAPYJJXSA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cnc2cc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2n1 ZINC001164978194 722112272 /nfs/dbraw/zinc/11/22/72/722112272.db2.gz NTAZBNJOOBGGIR-IIBYNOLFSA-N 1 1 444.366 4.059 20 0 IIADMO Fc1cc2ccc(Cl)nc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978248 722119010 /nfs/dbraw/zinc/11/90/10/722119010.db2.gz OCKSIUAPRXFONV-GHTZIAJQSA-N 1 1 426.923 4.150 20 0 IIADMO CC(C)(C)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164978061 722138876 /nfs/dbraw/zinc/13/88/76/722138876.db2.gz JLUOJQWYQAMCEW-RTWAWAEBSA-N 1 1 437.632 4.194 20 0 IIADMO CC(C)(C)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164978060 722139181 /nfs/dbraw/zinc/13/91/81/722139181.db2.gz JLUOJQWYQAMCEW-NHCUHLMSSA-N 1 1 437.632 4.194 20 0 IIADMO Fc1cc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1Cl ZINC001164972221 722152850 /nfs/dbraw/zinc/15/28/50/722152850.db2.gz HCFLDEMFAZUKLF-GCJKJVERSA-N 1 1 426.923 4.150 20 0 IIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977230 722158104 /nfs/dbraw/zinc/15/81/04/722158104.db2.gz YGQFGMRMAYXYBR-NQIIRXRSSA-N 1 1 448.945 4.280 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C3)c3ccccc3N(C)C4=O)c2c1C ZINC001164983109 722162466 /nfs/dbraw/zinc/16/24/66/722162466.db2.gz XYFBPBSUTROBER-VWLOTQADSA-N 1 1 447.608 4.028 20 0 IIADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993268 722195030 /nfs/dbraw/zinc/19/50/30/722195030.db2.gz DVOHPZFXVSPEMD-HXUWFJFHSA-N 1 1 439.913 4.125 20 0 IIADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993268 722195034 /nfs/dbraw/zinc/19/50/34/722195034.db2.gz DVOHPZFXVSPEMD-HXUWFJFHSA-N 1 1 439.913 4.125 20 0 IIADMO CCOC(=O)c1cc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164996675 722204570 /nfs/dbraw/zinc/20/45/70/722204570.db2.gz VFMHWVGLWCMMLH-HSZRJFAPSA-N 1 1 440.544 4.252 20 0 IIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164997452 722211047 /nfs/dbraw/zinc/21/10/47/722211047.db2.gz QJYWUGKBZCYCFV-SANMLTNESA-N 1 1 429.543 4.411 20 0 IIADMO Cc1ccc(-n2c(Cl)c(C[NH2+][C@H](CO)Cc3ccc(C)c(C)c3)nc2N(C)C)cc1 ZINC001206150566 1126159644 /nfs/dbraw/zinc/15/96/44/1126159644.db2.gz AHMXKMCPHMQZJN-FQEVSTJZSA-N 1 1 426.992 4.210 20 0 IIADMO CN(C)c1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c(Cl)n1-c1ccccc1 ZINC001308907593 1126168872 /nfs/dbraw/zinc/16/88/72/1126168872.db2.gz PUAFLOQEECMDIQ-JOCHJYFZSA-N 1 1 433.383 4.328 20 0 IIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)Cc2ccccc2C)cs1)c1ccc(F)cc1F ZINC001308696758 1126168352 /nfs/dbraw/zinc/16/83/52/1126168352.db2.gz PSQOTXCRDXDYQY-GOSISDBHSA-N 1 1 431.508 4.108 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3c4ccccc4NC(=O)[C@H]3C2)n1 ZINC001164402693 718858366 /nfs/dbraw/zinc/85/83/66/718858366.db2.gz LHRQFWGEKMZZMR-ROUUACIJSA-N 1 1 435.597 4.322 20 0 IIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c2c1C ZINC001164401471 718858529 /nfs/dbraw/zinc/85/85/29/718858529.db2.gz FDPOKPRTZWZNKC-MOPGFXCFSA-N 1 1 447.608 4.466 20 0 IIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC5(C4)CCCOC5)c23)C1 ZINC001164413421 718882771 /nfs/dbraw/zinc/88/27/71/718882771.db2.gz HSPTYICNISKRIN-QGZVFWFLSA-N 1 1 426.630 4.419 20 0 IIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164418154 718894184 /nfs/dbraw/zinc/89/41/84/718894184.db2.gz BOIRJKGMSREPBZ-LJQANCHMSA-N 1 1 428.621 4.041 20 0 IIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621033 719079058 /nfs/dbraw/zinc/07/90/58/719079058.db2.gz GLKICGUHCQUPCT-GHTZIAJQSA-N 1 1 436.943 4.171 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)nc1 ZINC001164650531 719295549 /nfs/dbraw/zinc/29/55/49/719295549.db2.gz IONSTFSVFBIDKI-BIATYSSJSA-N 1 1 436.600 4.367 20 0 IIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164651285 719314545 /nfs/dbraw/zinc/31/45/45/719314545.db2.gz ITVVMWUFXQHCET-UHFFFAOYSA-N 1 1 433.604 4.022 20 0 IIADMO CCOC(=O)c1cc2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2[nH]1 ZINC001164692618 719807346 /nfs/dbraw/zinc/80/73/46/719807346.db2.gz LRCFOERHNAGCSI-UHFFFAOYSA-N 1 1 439.585 4.140 20 0 IIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)cs1 ZINC001164693467 719815287 /nfs/dbraw/zinc/81/52/87/719815287.db2.gz VFBQBKFYRALGLE-UHFFFAOYSA-N 1 1 446.624 4.427 20 0 IIADMO Fc1cccc(Oc2cncc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696929 719896057 /nfs/dbraw/zinc/89/60/57/719896057.db2.gz IKTZGPZMXPLCTR-UHFFFAOYSA-N 1 1 440.544 4.341 20 0 IIADMO COc1cc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1F ZINC001164706259 719906593 /nfs/dbraw/zinc/90/65/93/719906593.db2.gz GNOCRJXIJIQTSM-UHFFFAOYSA-N 1 1 427.545 4.315 20 0 IIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164710657 720106432 /nfs/dbraw/zinc/10/64/32/720106432.db2.gz KODLAOQQOVJBGZ-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164710657 720106434 /nfs/dbraw/zinc/10/64/34/720106434.db2.gz KODLAOQQOVJBGZ-QFIPXVFZSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164716932 720111319 /nfs/dbraw/zinc/11/13/19/720111319.db2.gz LRJIHSGXJXXFAC-IBGZPJMESA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164714925 720121724 /nfs/dbraw/zinc/12/17/24/720121724.db2.gz FMRQZYRBBWMZMO-NRFANRHFSA-N 1 1 437.975 4.186 20 0 IIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164813359 720128257 /nfs/dbraw/zinc/12/82/57/720128257.db2.gz QHROBNRWEOZTNI-DNVCBOLYSA-N 1 1 431.980 4.187 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164711634 720129933 /nfs/dbraw/zinc/12/99/33/720129933.db2.gz HMPLFZHHNABKEE-QHCPKHFHSA-N 1 1 432.568 4.146 20 0 IIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164711725 720147853 /nfs/dbraw/zinc/14/78/53/720147853.db2.gz ILGSGVSMXZENHN-OAQYLSRUSA-N 1 1 432.568 4.146 20 0 IIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711908 720157368 /nfs/dbraw/zinc/15/73/68/720157368.db2.gz DNFMVLQFTUAYFY-CTNGQTDRSA-N 1 1 448.615 4.374 20 0 IIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164712418 720158326 /nfs/dbraw/zinc/15/83/26/720158326.db2.gz GMFHTCDEZUTFQS-NRFANRHFSA-N 1 1 446.599 4.128 20 0 IIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164818446 720180025 /nfs/dbraw/zinc/18/00/25/720180025.db2.gz SVCGEMYDMDQKFP-FDDCHVKYSA-N 1 1 430.955 4.121 20 0 IIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725725 720440669 /nfs/dbraw/zinc/44/06/69/720440669.db2.gz AWCHEQHXZBRGCF-NHCUHLMSSA-N 1 1 448.640 4.152 20 0 IIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730280 720458375 /nfs/dbraw/zinc/45/83/75/720458375.db2.gz JEJPNSSYUMXGSJ-FUDKSRODSA-N 1 1 439.922 4.173 20 0 IIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164722958 720475184 /nfs/dbraw/zinc/47/51/84/720475184.db2.gz BMXXUNKQVPTUSI-UIOOFZCWSA-N 1 1 437.547 4.457 20 0 IIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722946 720477458 /nfs/dbraw/zinc/47/74/58/720477458.db2.gz BHCJYIKVIHTHDQ-OALUTQOASA-N 1 1 425.895 4.310 20 0 IIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164733273 720503877 /nfs/dbraw/zinc/50/38/77/720503877.db2.gz ZOICGZKGASCXPF-JQYIIUTOSA-N 1 1 449.599 4.038 20 0 IIADMO COc1cccc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(Cl)nc12 ZINC001164834388 720506521 /nfs/dbraw/zinc/50/65/21/720506521.db2.gz FVFRHHXODGRZJR-NLWGTHIKSA-N 1 1 439.991 4.471 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)CC[C@@H]21 ZINC001164841262 720522384 /nfs/dbraw/zinc/52/23/84/720522384.db2.gz XYXORXHHKUVBRO-FSSWDIPSSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]21 ZINC001164840748 720571379 /nfs/dbraw/zinc/57/13/79/720571379.db2.gz SRPRATADLFWYMO-YDHSSHFGSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835207 720585139 /nfs/dbraw/zinc/58/51/39/720585139.db2.gz AOHVHHFHJIMNBM-OKZBNKHCSA-N 1 1 448.949 4.336 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]21 ZINC001164843601 720614488 /nfs/dbraw/zinc/61/44/88/720614488.db2.gz YMIAAHWBEUZAIQ-NWSQWKLXSA-N 1 1 436.991 4.371 20 0 IIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164836808 720634186 /nfs/dbraw/zinc/63/41/86/720634186.db2.gz GYHOCEMWAOFMAW-KNBMTAEXSA-N 1 1 444.505 4.281 20 0 IIADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840596 720638796 /nfs/dbraw/zinc/63/87/96/720638796.db2.gz PXDQKMSZOKJNKP-ODGPQVTHSA-N 1 1 434.563 4.165 20 0 IIADMO COC(=O)c1cc(Cl)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C ZINC001164836920 720725901 /nfs/dbraw/zinc/72/59/01/720725901.db2.gz BWQWDBOBMYJGAB-LJQANCHMSA-N 1 1 443.975 4.090 20 0 IIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164838276 720727445 /nfs/dbraw/zinc/72/74/45/720727445.db2.gz HRKJEZSOCOAVHU-LJQANCHMSA-N 1 1 426.992 4.269 20 0 IIADMO CC[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164848918 720755645 /nfs/dbraw/zinc/75/56/45/720755645.db2.gz QYRPLTDIOLFARM-HOYKHHGWSA-N 1 1 441.645 4.322 20 0 IIADMO COC[C@]12CCC[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164844629 720793215 /nfs/dbraw/zinc/79/32/15/720793215.db2.gz CKEDMQIOWGKETQ-MZNJEOGPSA-N 1 1 426.630 4.419 20 0 IIADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001164746827 720830740 /nfs/dbraw/zinc/83/07/40/720830740.db2.gz ZIWLLXHXHDTNNO-IIAWOOMASA-N 1 1 441.794 4.013 20 0 IIADMO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740479 720839751 /nfs/dbraw/zinc/83/97/51/720839751.db2.gz BZAHCCCHMNEJRG-KZNAEPCWSA-N 1 1 443.020 4.229 20 0 IIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739432 720841766 /nfs/dbraw/zinc/84/17/66/720841766.db2.gz AFMLNXLFLWZZFY-KCZVDYSFSA-N 1 1 436.991 4.168 20 0 IIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@H]2c2csc(C)n2)n1 ZINC001164750270 720864736 /nfs/dbraw/zinc/86/47/36/720864736.db2.gz PENHIAPYUFAIDG-KRWDZBQOSA-N 1 1 431.631 4.493 20 0 IIADMO c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164747953 720870229 /nfs/dbraw/zinc/87/02/29/720870229.db2.gz CWGWCFXHQHUWDR-IGKIAQTJSA-N 1 1 428.580 4.385 20 0 IIADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164747955 720870485 /nfs/dbraw/zinc/87/04/85/720870485.db2.gz CWGWCFXHQHUWDR-RPLLCQBOSA-N 1 1 428.580 4.385 20 0 IIADMO Fc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750767 720879416 /nfs/dbraw/zinc/87/94/16/720879416.db2.gz JRSMLOHDQPCTQP-WMZHIEFXSA-N 1 1 430.955 4.024 20 0 IIADMO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748409 720879820 /nfs/dbraw/zinc/87/98/20/720879820.db2.gz DQXFMICVFNKZEP-KCWPFWIISA-N 1 1 443.595 4.088 20 0 IIADMO Cc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164753001 720880122 /nfs/dbraw/zinc/88/01/22/720880122.db2.gz OGAWSEYLRCTOGX-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CCCC4)C3)c1 ZINC001164757460 720884628 /nfs/dbraw/zinc/88/46/28/720884628.db2.gz VBKFUVOTYSLZON-RPLLCQBOSA-N 1 1 432.612 4.111 20 0 IIADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755094 720886241 /nfs/dbraw/zinc/88/62/41/720886241.db2.gz KQCSTJGOIUOLBP-YIXXDRMTSA-N 1 1 443.595 4.088 20 0 IIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C(C)C)n1 ZINC001164746479 720910484 /nfs/dbraw/zinc/91/04/84/720910484.db2.gz AVDWYBHLNMDFSQ-OZXSUGGESA-N 1 1 435.616 4.059 20 0 IIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@@H]2C ZINC001164860712 720970226 /nfs/dbraw/zinc/97/02/26/720970226.db2.gz PPWKNIFQSUKODQ-GOSISDBHSA-N 1 1 447.562 4.237 20 0 IIADMO Cc1ccc(-c2nc3c(ncnc3N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)o2)cc1 ZINC001164860413 721005040 /nfs/dbraw/zinc/00/50/40/721005040.db2.gz NZRPWGLCYANJIK-QGZVFWFLSA-N 1 1 431.544 4.211 20 0 IIADMO CCOC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760582 721042731 /nfs/dbraw/zinc/04/27/31/721042731.db2.gz WXIJKYDFOSFMBN-UHFFFAOYSA-N 1 1 447.583 4.326 20 0 IIADMO Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N5CCN(C)CC5)n4)CC3)CC2)cc1 ZINC001164759148 721044779 /nfs/dbraw/zinc/04/47/79/721044779.db2.gz HAVLRHJDOJCCKK-UHFFFAOYSA-N 1 1 433.644 4.024 20 0 IIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872171 721167067 /nfs/dbraw/zinc/16/70/67/721167067.db2.gz GRWOIPVGPGEUBH-NHCUHLMSSA-N 1 1 449.986 4.289 20 0 IIADMO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164872204 721240019 /nfs/dbraw/zinc/24/00/19/721240019.db2.gz LFSLJCKFGVDJCF-FQEVSTJZSA-N 1 1 443.595 4.344 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776298 721333110 /nfs/dbraw/zinc/33/31/10/721333110.db2.gz DMVDZQHGQLZTJE-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776298 721333114 /nfs/dbraw/zinc/33/31/14/721333114.db2.gz DMVDZQHGQLZTJE-HXUWFJFHSA-N 1 1 440.922 4.004 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776395 721345187 /nfs/dbraw/zinc/34/51/87/721345187.db2.gz AYQLZZZBCVSMQK-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776395 721345192 /nfs/dbraw/zinc/34/51/92/721345192.db2.gz AYQLZZZBCVSMQK-QHCPKHFHSA-N 1 1 441.963 4.007 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777430 721345318 /nfs/dbraw/zinc/34/53/18/721345318.db2.gz GYZGNYAGSTVKHA-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777430 721345323 /nfs/dbraw/zinc/34/53/23/721345323.db2.gz GYZGNYAGSTVKHA-FQEVSTJZSA-N 1 1 425.360 4.112 20 0 IIADMO O=C1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884695 721355240 /nfs/dbraw/zinc/35/52/40/721355240.db2.gz WGJCKXQCOUIKOX-PKTZIBPZSA-N 1 1 430.577 4.086 20 0 IIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)C1 ZINC001164780915 721365034 /nfs/dbraw/zinc/36/50/34/721365034.db2.gz IRCKLGZVRSJITP-SANMLTNESA-N 1 1 447.583 4.176 20 0 IIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)C1 ZINC001164780915 721365041 /nfs/dbraw/zinc/36/50/41/721365041.db2.gz IRCKLGZVRSJITP-SANMLTNESA-N 1 1 447.583 4.176 20 0 IIADMO Fc1ccc(-c2nnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164786799 721426763 /nfs/dbraw/zinc/42/67/63/721426763.db2.gz PQFUECYOHAYLGX-ROUUACIJSA-N 1 1 431.540 4.461 20 0 IIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1 ZINC001164783586 721427310 /nfs/dbraw/zinc/42/73/10/721427310.db2.gz IYTSLFCSERFOGR-IRXDYDNUSA-N 1 1 439.972 4.012 20 0 IIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782082 721436362 /nfs/dbraw/zinc/43/63/62/721436362.db2.gz FPWXJDHOLQFNFJ-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164782082 721436364 /nfs/dbraw/zinc/43/63/64/721436364.db2.gz FPWXJDHOLQFNFJ-IYBDPMFKSA-N 1 1 427.961 4.255 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164790080 721461401 /nfs/dbraw/zinc/46/14/01/721461401.db2.gz ZOSFIDHOUVEFFG-LJQANCHMSA-N 1 1 445.007 4.017 20 0 IIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164791770 721464998 /nfs/dbraw/zinc/46/49/98/721464998.db2.gz YVKVBBVCZYCOJQ-IBGZPJMESA-N 1 1 447.023 4.259 20 0 IIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1SC)CC2 ZINC001164783709 721465006 /nfs/dbraw/zinc/46/50/06/721465006.db2.gz FYHMMFPRIRDSFO-LJQANCHMSA-N 1 1 440.053 4.191 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793924 721475661 /nfs/dbraw/zinc/47/56/61/721475661.db2.gz ZYOOYNNHMYDQOW-QHCPKHFHSA-N 1 1 446.603 4.028 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793756 721489744 /nfs/dbraw/zinc/48/97/44/721489744.db2.gz VEPVUXVZJSHGDA-UHFFFAOYSA-N 1 1 428.964 4.188 20 0 IIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164792091 721491299 /nfs/dbraw/zinc/49/12/99/721491299.db2.gz GKKKIVHGZUNHBO-UHFFFAOYSA-N 1 1 430.021 4.195 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808378 721529447 /nfs/dbraw/zinc/52/94/47/721529447.db2.gz RUCHUVOTSZVZEW-KURKYZTESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808378 721529451 /nfs/dbraw/zinc/52/94/51/721529451.db2.gz RUCHUVOTSZVZEW-KURKYZTESA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164804480 721529753 /nfs/dbraw/zinc/52/97/53/721529753.db2.gz JYSRCECGQRWYDD-MDZRGWNJSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164804480 721529757 /nfs/dbraw/zinc/52/97/57/721529757.db2.gz JYSRCECGQRWYDD-MDZRGWNJSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806114 721532866 /nfs/dbraw/zinc/53/28/66/721532866.db2.gz OBWDGYGZVCDXDP-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806114 721532868 /nfs/dbraw/zinc/53/28/68/721532868.db2.gz OBWDGYGZVCDXDP-JFIYKMOQSA-N 1 1 443.325 4.197 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164803038 721553677 /nfs/dbraw/zinc/55/36/77/721553677.db2.gz HLVGJNRCQWZGFT-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164803038 721553679 /nfs/dbraw/zinc/55/36/79/721553679.db2.gz HLVGJNRCQWZGFT-XUVXKRRUSA-N 1 1 444.366 4.200 20 0 IIADMO CCCCOc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806800 721572338 /nfs/dbraw/zinc/57/23/38/721572338.db2.gz RTPJFMFGJGERQI-FSSWDIPSSA-N 1 1 430.980 4.177 20 0 IIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164803366 721583295 /nfs/dbraw/zinc/58/32/95/721583295.db2.gz HTBSDXFLNQBMNL-TXTKFYIRSA-N 1 1 435.959 4.060 20 0 IIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC001164803366 721583299 /nfs/dbraw/zinc/58/32/99/721583299.db2.gz HTBSDXFLNQBMNL-TXTKFYIRSA-N 1 1 435.959 4.060 20 0 IIADMO C[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007485 721692436 /nfs/dbraw/zinc/69/24/36/721692436.db2.gz CMJXSRMMFFZXKU-HFXUHXBXSA-N 1 1 428.964 4.263 20 0 IIADMO FC(F)(Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907988 721695760 /nfs/dbraw/zinc/69/57/60/721695760.db2.gz XTBMUABUVABGOA-SFHVURJKSA-N 1 1 444.860 4.292 20 0 IIADMO FC1(F)CCN(c2cc3ccc(Cl)nc3cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906537 721707687 /nfs/dbraw/zinc/70/76/87/721707687.db2.gz MPAZTMFHAXRPBU-OAQYLSRUSA-N 1 1 429.902 4.416 20 0 IIADMO CCCN(CCC)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908768 721715846 /nfs/dbraw/zinc/71/58/46/721715846.db2.gz ZBBDSGSAQKPSME-HSZRJFAPSA-N 1 1 444.574 4.236 20 0 IIADMO FC1(F)CCN(c2cc(-c3cccs3)ncn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911167 721726587 /nfs/dbraw/zinc/72/65/87/721726587.db2.gz IKHYRDUMEWUOQN-NRFANRHFSA-N 1 1 427.524 4.338 20 0 IIADMO CCc1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912894 721736223 /nfs/dbraw/zinc/73/62/23/721736223.db2.gz QXDUUNKKTDFIJB-IBGZPJMESA-N 1 1 442.341 4.479 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Oc3ccccc3)ncn1)C2 ZINC001164908456 721748942 /nfs/dbraw/zinc/74/89/42/721748942.db2.gz JOQZVHUIIWLFJC-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Oc3ccccc3)ncn1)C2 ZINC001164908456 721748949 /nfs/dbraw/zinc/74/89/49/721748949.db2.gz JOQZVHUIIWLFJC-UHFFFAOYSA-N 1 1 427.508 4.452 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164909499 721756079 /nfs/dbraw/zinc/75/60/79/721756079.db2.gz FXMTUERHILJATP-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164909499 721756084 /nfs/dbraw/zinc/75/60/84/721756084.db2.gz FXMTUERHILJATP-UHFFFAOYSA-N 1 1 433.890 4.045 20 0 IIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccc(F)cc3)ncn1)C2 ZINC001164912556 721761765 /nfs/dbraw/zinc/76/17/65/721761765.db2.gz ZQAKBHQSZYRLRT-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccc(F)cc3)ncn1)C2 ZINC001164912556 721761772 /nfs/dbraw/zinc/76/17/72/721761772.db2.gz ZQAKBHQSZYRLRT-UHFFFAOYSA-N 1 1 429.499 4.465 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c(C)nc2c1 ZINC001164911787 721762763 /nfs/dbraw/zinc/76/27/63/721762763.db2.gz RTTPHDDCYFXDRC-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO COc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c(C)nc2c1 ZINC001164911787 721762764 /nfs/dbraw/zinc/76/27/64/721762764.db2.gz RTTPHDDCYFXDRC-UHFFFAOYSA-N 1 1 429.524 4.130 20 0 IIADMO COc1cc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc2c(OC)c1 ZINC001164912509 721764690 /nfs/dbraw/zinc/76/46/90/721764690.db2.gz YCGBLKIUUDRKIT-UHFFFAOYSA-N 1 1 444.535 4.435 20 0 IIADMO COc1cc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc2c(OC)c1 ZINC001164912509 721764700 /nfs/dbraw/zinc/76/47/00/721764700.db2.gz YCGBLKIUUDRKIT-UHFFFAOYSA-N 1 1 444.535 4.435 20 0 IIADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026613 721799132 /nfs/dbraw/zinc/79/91/32/721799132.db2.gz ROFTUYUCCGHDDD-AQKFKSFVSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NC3CCCCC3)C[C@@H]21 ZINC001165025895 721802688 /nfs/dbraw/zinc/80/26/88/721802688.db2.gz PVDKZZKBZVFKHL-KSNOWIBYSA-N 1 1 447.627 4.276 20 0 IIADMO COc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c(Cl)nc2c1 ZINC001165026405 721809199 /nfs/dbraw/zinc/80/91/99/721809199.db2.gz PUHAORKUFRTNSS-DKZVUGQWSA-N 1 1 437.975 4.424 20 0 IIADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027411 721809225 /nfs/dbraw/zinc/80/92/25/721809225.db2.gz URLUUYFVJVKLSH-OYDLWJJNSA-N 1 1 430.552 4.153 20 0 IIADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025854 721811644 /nfs/dbraw/zinc/81/16/44/721811644.db2.gz NZBWMGKAFSTSAS-FFZOFVMBSA-N 1 1 437.975 4.424 20 0 IIADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2n1 ZINC001165025260 721814342 /nfs/dbraw/zinc/81/43/42/721814342.db2.gz MBUWPUSWHYOXNB-QRFRQXIXSA-N 1 1 437.975 4.424 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OCc4ccccc4)cnn3)C[C@@H]21 ZINC001165027664 721816070 /nfs/dbraw/zinc/81/60/70/721816070.db2.gz VMHQOKFCKXTULV-GVXSCFBNSA-N 1 1 429.568 4.188 20 0 IIADMO COc1cccc(-c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)c1 ZINC001165025557 721818287 /nfs/dbraw/zinc/81/82/87/721818287.db2.gz NQAUIQMYJRMOLX-OPHFCASCSA-N 1 1 429.568 4.284 20 0 IIADMO CCOC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1Cl ZINC001165026798 721820348 /nfs/dbraw/zinc/82/03/48/721820348.db2.gz RDWZWRDSXHMEQX-QRFRQXIXSA-N 1 1 428.964 4.044 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027524 721825967 /nfs/dbraw/zinc/82/59/67/721825967.db2.gz SMVXCBFXXMIRLX-NMNUPHIUSA-N 1 1 432.568 4.384 20 0 IIADMO COc1cc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027524 721825969 /nfs/dbraw/zinc/82/59/69/721825969.db2.gz SMVXCBFXXMIRLX-NMNUPHIUSA-N 1 1 432.568 4.384 20 0 IIADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165028380 721827622 /nfs/dbraw/zinc/82/76/22/721827622.db2.gz VRLXYVZYFOKASP-BGWNEDDSSA-N 1 1 428.584 4.287 20 0 IIADMO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026737 721828863 /nfs/dbraw/zinc/82/88/63/721828863.db2.gz PWXVUKALVNRXNL-ICDZXHCJSA-N 1 1 443.595 4.496 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]21 ZINC001165024018 721828879 /nfs/dbraw/zinc/82/88/79/721828879.db2.gz JHICGENIYLMUQL-KSEOMHKRSA-N 1 1 430.556 4.141 20 0 IIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]21 ZINC001165026312 721829987 /nfs/dbraw/zinc/82/99/87/721829987.db2.gz OTFQGNWXDBCTER-RCZSKKKRSA-N 1 1 434.975 4.324 20 0 IIADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938772 721920506 /nfs/dbraw/zinc/92/05/06/721920506.db2.gz RBXTUDPKHXHGTB-UHFFFAOYSA-N 1 1 443.975 4.092 20 0 IIADMO CC(C)c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164960659 722059846 /nfs/dbraw/zinc/05/98/46/722059846.db2.gz GDYQLCKEFPUWFD-UHFFFAOYSA-N 1 1 431.584 4.267 20 0 IIADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963005 722061854 /nfs/dbraw/zinc/06/18/54/722061854.db2.gz ARXOQVGLENRXPH-GOSISDBHSA-N 1 1 444.023 4.466 20 0 IIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CNC3=O)nc1 ZINC001164968218 722078521 /nfs/dbraw/zinc/07/85/21/722078521.db2.gz WNJZHUKAENMQSS-DEOSSOPVSA-N 1 1 432.612 4.478 20 0 IIADMO Fc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985263 722108050 /nfs/dbraw/zinc/10/80/50/722108050.db2.gz VWIYKHXREHYYGY-JTSKRJEESA-N 1 1 426.923 4.150 20 0 IIADMO Clc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973833 722117357 /nfs/dbraw/zinc/11/73/57/722117357.db2.gz HJSNRTFVMMDWLQ-LPHOPBHVSA-N 1 1 444.366 4.059 20 0 IIADMO Clc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164973831 722117508 /nfs/dbraw/zinc/11/75/08/722117508.db2.gz HJSNRTFVMMDWLQ-APWZRJJASA-N 1 1 444.366 4.059 20 0 IIADMO COc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(Cl)ccc12 ZINC001164973825 722118591 /nfs/dbraw/zinc/11/85/91/722118591.db2.gz HHQOLYZDNMOVCP-JPYJTQIMSA-N 1 1 438.959 4.019 20 0 IIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971129 722153801 /nfs/dbraw/zinc/15/38/01/722153801.db2.gz ATWXYHDTESNOJM-IRLDBZIGSA-N 1 1 442.007 4.300 20 0 IIADMO Fc1ccc(F)c2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(Cl)nc12 ZINC001164975322 722157154 /nfs/dbraw/zinc/15/71/54/722157154.db2.gz SHSCPZJOKWWIDQ-UZLBHIALSA-N 1 1 444.913 4.289 20 0 IIADMO CCOC(=O)c1ccc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994003 722199517 /nfs/dbraw/zinc/19/95/17/722199517.db2.gz CIHANXKUIKUEAW-RUZDIDTESA-N 1 1 434.515 4.191 20 0 IIADMO COC(=O)c1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2ccccc2c1OC ZINC001164997834 722210765 /nfs/dbraw/zinc/21/07/65/722210765.db2.gz SITMCENSTGDOHZ-SANMLTNESA-N 1 1 449.526 4.414 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997531 722213109 /nfs/dbraw/zinc/21/31/09/722213109.db2.gz RKASSSLVFONUFF-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997531 722213114 /nfs/dbraw/zinc/21/31/14/722213114.db2.gz RKASSSLVFONUFF-IBGZPJMESA-N 1 1 426.870 4.068 20 0 IIADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534679 1126240627 /nfs/dbraw/zinc/24/06/27/1126240627.db2.gz SLRWVKZWPKKVSL-WMLDXEAASA-N 1 1 429.236 4.214 20 0 IIADMO