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)N1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164414396 718881379 /nfs/dbraw/zinc/88/13/79/718881379.db2.gz SJYRLXUTNNOQIX-MRXNPFEDSA-N 1 0 446.851 4.995 20 0 IJADRO C(c1nc2sc3c(c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1)CCC3)N1CCCCC1 ZINC001164419196 718893032 /nfs/dbraw/zinc/89/30/32/718893032.db2.gz QOAVYOFOAUPPEM-FQEVSTJZSA-N 1 0 439.673 4.524 20 0 IJADRO Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(Cl)nn1 ZINC001164431043 718948063 /nfs/dbraw/zinc/94/80/63/718948063.db2.gz ZRLAQZQYBQWPCR-OXJNMPFZSA-N 1 0 430.861 4.557 20 0 IJADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164616290 719037929 /nfs/dbraw/zinc/03/79/29/719037929.db2.gz VZPLJVHDTSBXQK-UHFFFAOYSA-N 1 0 428.914 4.931 20 0 IJADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628320 719048195 /nfs/dbraw/zinc/04/81/95/719048195.db2.gz XYPPQMDCAURHEV-LAUBAEHRSA-N 1 0 430.886 4.518 20 0 IJADRO c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164629824 719107512 /nfs/dbraw/zinc/10/75/12/719107512.db2.gz TXAOMJANFWLTTB-KNQAVFIVSA-N 1 0 427.577 4.854 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccnc2C2SCCCS2)CC3)cs1 ZINC001164692596 719806322 /nfs/dbraw/zinc/80/63/22/719806322.db2.gz KNICYMHVGKRSOZ-UHFFFAOYSA-N 1 0 447.699 4.745 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(Cl)c4cccc(C)c42)CC3)cs1 ZINC001164693785 719808340 /nfs/dbraw/zinc/80/83/40/719808340.db2.gz RFRLXRWASLLTBO-UHFFFAOYSA-N 1 0 428.005 4.992 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2CN2CCCC2)CC3)cs1 ZINC001164693101 719809887 /nfs/dbraw/zinc/80/98/87/719809887.db2.gz QCRHUPAUMBNESK-UHFFFAOYSA-N 1 0 446.064 4.731 20 0 IJADRO COc1ccccc1-c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692188 719813943 /nfs/dbraw/zinc/81/39/43/719813943.db2.gz NLLWFCKHMMEZLC-UHFFFAOYSA-N 1 0 435.597 4.552 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4nc(Cl)cnc4cc2F)CC3)cs1 ZINC001164691639 719814452 /nfs/dbraw/zinc/81/44/52/719814452.db2.gz ITKBVJALUOWMJT-UHFFFAOYSA-N 1 0 431.968 4.822 20 0 IJADRO COc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2cc(Cl)ccc12 ZINC001164696967 719892821 /nfs/dbraw/zinc/89/28/21/719892821.db2.gz IRGIVFVRARKFKZ-UHFFFAOYSA-N 1 0 444.000 4.830 20 0 IJADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164697063 719894432 /nfs/dbraw/zinc/89/44/32/719894432.db2.gz JDQXWDBZGNWRDB-UHFFFAOYSA-N 1 0 427.948 4.521 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001164810408 720092028 /nfs/dbraw/zinc/09/20/28/720092028.db2.gz LRIQWEPWUJOSCH-UZUQRXQVSA-N 1 0 440.638 4.605 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164811116 720103655 /nfs/dbraw/zinc/10/36/55/720103655.db2.gz LMNRMJAQVJPEEB-DENIHFKCSA-N 1 0 435.946 4.618 20 0 IJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734423 720439816 /nfs/dbraw/zinc/43/98/16/720439816.db2.gz RZARAGGDWQJEJF-RTWAWAEBSA-N 1 0 427.577 4.915 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833848 720511938 /nfs/dbraw/zinc/51/19/38/720511938.db2.gz DRQHITNHIIBYMO-HYVNUMGLSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840031 720512159 /nfs/dbraw/zinc/51/21/59/720512159.db2.gz VZGLSYIRJVINIY-RLFYNMQTSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccc(Cl)cc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842503 720529385 /nfs/dbraw/zinc/52/93/85/720529385.db2.gz XYRZRAJGKGHHTC-OXFYSEKESA-N 1 0 445.398 4.511 20 0 IJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)C1 ZINC001164732593 720530550 /nfs/dbraw/zinc/53/05/50/720530550.db2.gz FOXNKGFMGWEQPD-FQEVSTJZSA-N 1 0 430.600 4.586 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839635 720539563 /nfs/dbraw/zinc/53/95/63/720539563.db2.gz QWYVTCOFVJXRSB-TXPKVOOTSA-N 1 0 445.398 4.511 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164838137 720660413 /nfs/dbraw/zinc/66/04/13/720660413.db2.gz GASJIYUBDQIQGT-MRXNPFEDSA-N 1 0 446.382 4.525 20 0 IJADRO Cc1sc2nc(C)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164839528 720689096 /nfs/dbraw/zinc/68/90/96/720689096.db2.gz ALLPOWSEMYATKK-NRFANRHFSA-N 1 0 436.625 4.876 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164841644 720705656 /nfs/dbraw/zinc/70/56/56/720705656.db2.gz VGOZMWXOZSOYAN-RUZDIDTESA-N 1 0 443.591 4.921 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164840263 720710723 /nfs/dbraw/zinc/71/07/23/720710723.db2.gz OJLMYWZUEYWFIE-VWLOTQADSA-N 1 0 443.591 4.921 20 0 IJADRO COc1cc2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1F ZINC001164836943 720726243 /nfs/dbraw/zinc/72/62/43/720726243.db2.gz BZXFPRQBEFETHC-OAQYLSRUSA-N 1 0 435.543 4.642 20 0 IJADRO Clc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749823 720887483 /nfs/dbraw/zinc/88/74/83/720887483.db2.gz ASDCXBVLYKOYGX-WMZHIEFXSA-N 1 0 447.410 4.539 20 0 IJADRO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753241 720938839 /nfs/dbraw/zinc/93/88/39/720938839.db2.gz REDWDXQKCTYAOD-SHQCIBLASA-N 1 0 434.628 4.529 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3scc(-c4ccccc4)c31)[C@H]2C ZINC001164861168 720941500 /nfs/dbraw/zinc/94/15/00/720941500.db2.gz SBCXYNUCJMXNGK-KRWDZBQOSA-N 1 0 432.597 4.976 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@@H]2C ZINC001164857244 720994482 /nfs/dbraw/zinc/99/44/82/720994482.db2.gz FENQMZPSDJNQHR-GOSISDBHSA-N 1 0 439.991 4.932 20 0 IJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861275 721023455 /nfs/dbraw/zinc/02/34/55/721023455.db2.gz NZQCWRAXCLGZDK-CQSZACIVSA-N 1 0 431.943 4.654 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)nc1 ZINC001164878768 721252230 /nfs/dbraw/zinc/25/22/30/721252230.db2.gz VNNXWEBQAWZADJ-NDBXHCKUSA-N 1 0 436.600 4.619 20 0 IJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cccc(Cl)c43)C2)C1 ZINC001164779757 721352233 /nfs/dbraw/zinc/35/22/33/721352233.db2.gz VUSPOPNFXXQZCL-DEOSSOPVSA-N 1 0 440.975 4.612 20 0 IJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164785588 721458883 /nfs/dbraw/zinc/45/88/83/721458883.db2.gz MFPRVOGKGHBMDH-HXUWFJFHSA-N 1 0 444.019 4.622 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1 ZINC001164892666 721473992 /nfs/dbraw/zinc/47/39/92/721473992.db2.gz HIWKVANIYWFYKB-VWLOTQADSA-N 1 0 446.639 4.820 20 0 IJADRO Cc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(Cl)nc2c1 ZINC001164904339 721701874 /nfs/dbraw/zinc/70/18/74/721701874.db2.gz FRLSHCXWJVFKEZ-QFIPXVFZSA-N 1 0 443.929 4.724 20 0 IJADRO COc1ccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164908314 721712518 /nfs/dbraw/zinc/71/25/18/721712518.db2.gz WZEMGTTVGDPWJS-DEOSSOPVSA-N 1 0 438.522 4.685 20 0 IJADRO Fc1cc2ncc(Cl)nc2cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912287 721728394 /nfs/dbraw/zinc/72/83/94/721728394.db2.gz NSENAXRYTYRFJQ-OAQYLSRUSA-N 1 0 447.892 4.555 20 0 IJADRO FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912825 721728909 /nfs/dbraw/zinc/72/89/09/721728909.db2.gz QLLRMGXIAVXEMY-QFIPXVFZSA-N 1 0 445.464 4.700 20 0 IJADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913101 721734197 /nfs/dbraw/zinc/73/41/97/721734197.db2.gz SQZPPRMUOMEFNJ-OAQYLSRUSA-N 1 0 435.950 4.695 20 0 IJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913376 721734293 /nfs/dbraw/zinc/73/42/93/721734293.db2.gz UTILWCOCATWPBB-QFIPXVFZSA-N 1 0 449.977 4.770 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@@H]21 ZINC001165027641 721811122 /nfs/dbraw/zinc/81/11/22/721811122.db2.gz VKGASJOYWOVLRC-FRPAHBMMSA-N 1 0 438.579 4.757 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@@H]21 ZINC001165026222 721822012 /nfs/dbraw/zinc/82/20/12/721822012.db2.gz OKCHSIGTLAPJLU-BVYCBKJFSA-N 1 0 437.588 4.561 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]21 ZINC001165026237 721822219 /nfs/dbraw/zinc/82/22/19/721822219.db2.gz OKCHSIGTLAPJLU-VLCRHTCISA-N 1 0 437.588 4.561 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@H]21 ZINC001165025271 721826389 /nfs/dbraw/zinc/82/63/89/721826389.db2.gz MNKLWAWXSLQWID-LUQKVYGDSA-N 1 0 425.939 4.554 20 0 IJADRO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1-c1ccccc1F ZINC001165025197 721830562 /nfs/dbraw/zinc/83/05/62/721830562.db2.gz MELMUVQBGNVJLW-KWOQKUFVSA-N 1 0 431.559 4.723 20 0 IJADRO Cc1sc2nc(C)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164939766 721925736 /nfs/dbraw/zinc/92/57/36/721925736.db2.gz MWJMWYFSNSQXME-UHFFFAOYSA-N 1 0 436.625 4.796 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC3)C2)cc1 ZINC001164938645 721930030 /nfs/dbraw/zinc/93/00/30/721930030.db2.gz CHMMYJALKKRMOU-UHFFFAOYSA-N 1 0 429.008 4.607 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(-c5cccs5)n4)CC3)C2)cc1 ZINC001164938618 721932174 /nfs/dbraw/zinc/93/21/74/721932174.db2.gz AZODMMGSIWHUEX-UHFFFAOYSA-N 1 0 434.609 4.693 20 0 IJADRO CC[NH+](CC)C1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC001165053643 722005579 /nfs/dbraw/zinc/00/55/79/722005579.db2.gz QUVCFYITJIMETA-SFHVURJKSA-N 1 0 441.689 4.723 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)nc1 ZINC001164952251 722006516 /nfs/dbraw/zinc/00/65/16/722006516.db2.gz LZHFNKPTJALGAH-RUZDIDTESA-N 1 0 442.611 4.754 20 0 IJADRO Clc1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c(Cl)nc2c1 ZINC001164953601 722015885 /nfs/dbraw/zinc/01/58/85/722015885.db2.gz VPAMDYOCZKXDOJ-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO Clc1cc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1Cl ZINC001164955906 722019791 /nfs/dbraw/zinc/01/97/91/722019791.db2.gz RZOJMOMYYWOXPJ-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963363 722058235 /nfs/dbraw/zinc/05/82/35/722058235.db2.gz XMKHXGPNGGERSD-UHFFFAOYSA-N 1 0 436.987 4.711 20 0 IJADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2c(Cl)cccc12 ZINC001164961690 722058520 /nfs/dbraw/zinc/05/85/20/722058520.db2.gz OFVLPURZTJHNAT-UHFFFAOYSA-N 1 0 436.987 4.711 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)nc1 ZINC001164983611 722091831 /nfs/dbraw/zinc/09/18/31/722091831.db2.gz UDBUNXOQPSWISY-VWNXMTODSA-N 1 0 438.660 4.932 20 0 IJADRO COC(=O)C[C@@H](c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994832 722207137 /nfs/dbraw/zinc/20/71/37/722207137.db2.gz IOGQUKJNIMZPHO-BVAGGSTKSA-N 1 0 437.559 4.522 20 0 IJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)o2)cc1 ZINC001164994021 722208352 /nfs/dbraw/zinc/20/83/52/722208352.db2.gz CYHAFJQXPWUQBQ-AREMUKBSSA-N 1 0 443.526 4.977 20 0 IJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000003234354 562933126 /nfs/dbraw/zinc/93/31/26/562933126.db2.gz UVNVEKUILAKEEW-UHFFFAOYSA-N 1 0 431.536 4.803 20 0 IJADRO O[C@@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019360476 563022592 /nfs/dbraw/zinc/02/25/92/563022592.db2.gz PSBXDOYFPJDNNH-MHZLTWQESA-N 1 0 430.592 4.534 20 0 IJADRO C(c1nc2sc3c(c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1)CCCC3)N1CCCC1 ZINC001164417218 718892895 /nfs/dbraw/zinc/89/28/95/718892895.db2.gz IJHHPGPYAIYINX-HXUWFJFHSA-N 1 0 439.673 4.524 20 0 IJADRO COc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164420498 718893450 /nfs/dbraw/zinc/89/34/50/718893450.db2.gz MFUXOFBUXPPAJD-FQEVSTJZSA-N 1 0 436.934 4.709 20 0 IJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)nc12 ZINC001164623805 719045356 /nfs/dbraw/zinc/04/53/56/719045356.db2.gz NCAXDHBJPMOBFA-IERDGZPVSA-N 1 0 432.877 4.551 20 0 IJADRO Fc1ccc2nc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)nc(Cl)c2c1 ZINC001164618292 719045489 /nfs/dbraw/zinc/04/54/89/719045489.db2.gz ALDULYKIKYVVTN-LAUBAEHRSA-N 1 0 432.877 4.551 20 0 IJADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622265 719048506 /nfs/dbraw/zinc/04/85/06/719048506.db2.gz KMUQRQKPFVCXPQ-OFNKIYASSA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622474 719048804 /nfs/dbraw/zinc/04/88/04/719048804.db2.gz KVVHAAHISYJCBL-FYYLOGMGSA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164622533 719092786 /nfs/dbraw/zinc/09/27/86/719092786.db2.gz CBIDAYPVDRIUMW-HOTGVXAUSA-N 1 0 427.326 4.515 20 0 IJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164625933 719126314 /nfs/dbraw/zinc/12/63/14/719126314.db2.gz ZQKLJFWDULQNCV-SJLPKXTDSA-N 1 0 438.925 4.979 20 0 IJADRO COc1cccc2c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164703364 719886321 /nfs/dbraw/zinc/88/63/21/719886321.db2.gz RQCKAYOEMPHZIB-UHFFFAOYSA-N 1 0 444.000 4.830 20 0 IJADRO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694701 719891980 /nfs/dbraw/zinc/89/19/80/719891980.db2.gz CLWVNKSGMFURRG-UHFFFAOYSA-N 1 0 444.000 4.830 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164719064 720110289 /nfs/dbraw/zinc/11/02/89/720110289.db2.gz VDRYTTRZDCUCAN-NRFANRHFSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001164819400 720171904 /nfs/dbraw/zinc/17/19/04/720171904.db2.gz WUHUFQLPSFKPEP-CPJSRVTESA-N 1 0 434.609 4.543 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819184 720177738 /nfs/dbraw/zinc/17/77/38/720177738.db2.gz WKIZQKFIEGAYPQ-FQRUVTKNSA-N 1 0 448.636 4.851 20 0 IJADRO COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164731547 720437008 /nfs/dbraw/zinc/43/70/08/720437008.db2.gz LVKHGHYWUOVDIC-FCHUYYIVSA-N 1 0 443.576 4.615 20 0 IJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)s1 ZINC001164726242 720452140 /nfs/dbraw/zinc/45/21/40/720452140.db2.gz BEMXNHPAAGNTHE-FCHUYYIVSA-N 1 0 427.577 4.915 20 0 IJADRO Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728192 720469356 /nfs/dbraw/zinc/46/93/56/720469356.db2.gz NWDWAGDZBNJJRA-BJKOFHAPSA-N 1 0 433.987 4.586 20 0 IJADRO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164728195 720471590 /nfs/dbraw/zinc/47/15/90/720471590.db2.gz NWDWAGDZBNJJRA-ZEQRLZLVSA-N 1 0 433.987 4.586 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC[C@@H]21 ZINC001164833861 720511420 /nfs/dbraw/zinc/51/14/20/720511420.db2.gz DRSDUALASGQBPC-ZVZYQTTQSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]21 ZINC001164834025 720514049 /nfs/dbraw/zinc/51/40/49/720514049.db2.gz FDZYSUKRWOVTJW-VKJFTORMSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]21 ZINC001164841336 720514067 /nfs/dbraw/zinc/51/40/67/720514067.db2.gz YLPJHLFZUOUXMQ-HFTRVMKXSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@@H]21 ZINC001164842501 720529047 /nfs/dbraw/zinc/52/90/47/720529047.db2.gz XYRZRAJGKGHHTC-KNBMTAEXSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)CC[C@@H]21 ZINC001164836830 720534456 /nfs/dbraw/zinc/53/44/56/720534456.db2.gz LGVHRZVDMWQPII-FTRWYGJKSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3-c3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834670 720540898 /nfs/dbraw/zinc/54/08/98/720540898.db2.gz FRJIHZWWIIEQHI-FUPPJEDESA-N 1 0 436.003 4.976 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837745 720634207 /nfs/dbraw/zinc/63/42/07/720634207.db2.gz JAXSWZZVCUHGAD-NPPFBWRTSA-N 1 0 427.955 4.602 20 0 IJADRO Cc1cccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844560 720681508 /nfs/dbraw/zinc/68/15/08/720681508.db2.gz UHHPZUSLPCVBDB-FQEVSTJZSA-N 1 0 436.987 4.852 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164841654 720726353 /nfs/dbraw/zinc/72/63/53/720726353.db2.gz VHXUDGHXRIPDMU-FQEVSTJZSA-N 1 0 438.572 4.604 20 0 IJADRO CSc1ccc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164842822 720726895 /nfs/dbraw/zinc/72/68/95/720726895.db2.gz ZAFZKXUYLUSJRR-HXUWFJFHSA-N 1 0 434.609 4.612 20 0 IJADRO Cc1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164753395 720869072 /nfs/dbraw/zinc/86/90/72/720869072.db2.gz PGXQYSSIJUBBHP-LEAFIULHSA-N 1 0 442.607 4.693 20 0 IJADRO Clc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750879 720883714 /nfs/dbraw/zinc/88/37/14/720883714.db2.gz CCNBIIZTZFGZML-XXBNENTESA-N 1 0 447.410 4.539 20 0 IJADRO Fc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164756942 720892008 /nfs/dbraw/zinc/89/20/08/720892008.db2.gz SLEBRYLKDOEZHF-WXVAWEFUSA-N 1 0 446.570 4.524 20 0 IJADRO Cc1cc(Cl)c(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758749 720893908 /nfs/dbraw/zinc/89/39/08/720893908.db2.gz ZAQUZXSWFZAOJX-RDGATRHJSA-N 1 0 441.019 4.502 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nnc(Cc3ccccc3)c3ccccc31)[C@@H]2C ZINC001164859707 721000635 /nfs/dbraw/zinc/00/06/35/721000635.db2.gz LPIUWAMFALGSLO-HXUWFJFHSA-N 1 0 440.595 4.839 20 0 IJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(NC(=O)C(C)(C)C)nn4)CC3)CC2)cc1 ZINC001164759828 721044292 /nfs/dbraw/zinc/04/42/92/721044292.db2.gz QTWRSYTYIIEPLU-UHFFFAOYSA-N 1 0 435.616 4.652 20 0 IJADRO c1ccc(-c2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164872215 721138146 /nfs/dbraw/zinc/13/81/46/721138146.db2.gz GXEJIDDMZJYSGB-ZEQRLZLVSA-N 1 0 436.559 4.777 20 0 IJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164776627 721336690 /nfs/dbraw/zinc/33/66/90/721336690.db2.gz HGYSUSPSRJTIJO-XMMPIXPASA-N 1 0 440.975 4.612 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)nc1 ZINC001164902878 721572325 /nfs/dbraw/zinc/57/23/25/721572325.db2.gz NBBPOZBSICZNME-DBCXENNUSA-N 1 0 436.575 4.869 20 0 IJADRO Fc1cc2ncc(Cl)nc2cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912285 721729314 /nfs/dbraw/zinc/72/93/14/721729314.db2.gz NSENAXRYTYRFJQ-NRFANRHFSA-N 1 0 447.892 4.555 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccnc(Cl)c4)ccn3)C[C@@H]21 ZINC001165027545 721805698 /nfs/dbraw/zinc/80/56/98/721805698.db2.gz WDPBURVSBRQROW-AKIFATBCSA-N 1 0 433.987 4.929 20 0 IJADRO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165028701 721807852 /nfs/dbraw/zinc/80/78/52/721807852.db2.gz ZNUTZNDDZMQPQB-SNRMKQJTSA-N 1 0 428.005 4.785 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc45)n3)C[C@H]21 ZINC001165027644 721811183 /nfs/dbraw/zinc/81/11/83/721811183.db2.gz VKGASJOYWOVLRC-GVCORALISA-N 1 0 438.579 4.757 20 0 IJADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028865 721817466 /nfs/dbraw/zinc/81/74/66/721817466.db2.gz XVBQSURYRJNRCO-NYVOZVTQSA-N 1 0 427.552 4.816 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@H]21 ZINC001165027325 721820053 /nfs/dbraw/zinc/82/00/53/721820053.db2.gz UIEMHYTZNKEZPT-ICDZXHCJSA-N 1 0 428.580 4.793 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@@H]21 ZINC001165021623 721820690 /nfs/dbraw/zinc/82/06/90/721820690.db2.gz FITLEXIIVWUPKB-MOXGXCLJSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]21 ZINC001165026230 721822168 /nfs/dbraw/zinc/82/21/68/721822168.db2.gz OKCHSIGTLAPJLU-STZQEDGTSA-N 1 0 437.588 4.561 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@@H]21 ZINC001165019869 721826615 /nfs/dbraw/zinc/82/66/15/721826615.db2.gz CIFDZRNRDOJNRD-BAGYTPMASA-N 1 0 433.987 4.929 20 0 IJADRO CCOc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165024046 721827008 /nfs/dbraw/zinc/82/70/08/721827008.db2.gz JLBLAMBBSKIHHU-CVJWPJSTSA-N 1 0 443.595 4.674 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]21 ZINC001165027430 721828263 /nfs/dbraw/zinc/82/82/63/721828263.db2.gz SDLFMAFFUJNJNB-GQWLDOHISA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)C[C@@H]21 ZINC001165028313 721830875 /nfs/dbraw/zinc/83/08/75/721830875.db2.gz VFLDHNPXVWGSHF-RYQLBKOJSA-N 1 0 432.399 4.793 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001165030194 721831961 /nfs/dbraw/zinc/83/19/61/721831961.db2.gz YRNYCDLCJKGYCD-JRGCBEDISA-N 1 0 446.973 4.987 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951697 722005673 /nfs/dbraw/zinc/00/56/73/722005673.db2.gz IQIROKLOCUFKJK-RJGXRXQPSA-N 1 0 427.596 4.805 20 0 IJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952223 722017652 /nfs/dbraw/zinc/01/76/52/722017652.db2.gz JTIFUPJCOPWLHZ-UHFFFAOYSA-N 1 0 431.918 4.649 20 0 IJADRO Fc1ccc(COc2cccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955651 722023079 /nfs/dbraw/zinc/02/30/79/722023079.db2.gz LXPJBMIYFOOGJH-UHFFFAOYSA-N 1 0 432.543 4.687 20 0 IJADRO COc1ccc(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1 ZINC001164997788 722209881 /nfs/dbraw/zinc/20/98/81/722209881.db2.gz RRUIGGWXGNBUAR-SANMLTNESA-N 1 0 448.542 4.545 20 0 IJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020929794 520289147 /nfs/dbraw/zinc/28/91/47/520289147.db2.gz UEWXJFBRPPZIOZ-KRWDZBQOSA-N 1 0 443.179 4.824 20 0 IJADRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)cc2)cc1Br ZINC000010475401 557221271 /nfs/dbraw/zinc/22/12/71/557221271.db2.gz LRHVLWYQVFFTGE-UHFFFAOYSA-N 1 0 429.152 4.909 20 0 IJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000013027043 562984251 /nfs/dbraw/zinc/98/42/51/562984251.db2.gz NZQGVRFJUFABPL-UHFFFAOYSA-N 1 0 427.932 4.719 20 0 IJADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164414045 718881511 /nfs/dbraw/zinc/88/15/11/718881511.db2.gz PSGDLUGRWWXTRM-INIZCTEOSA-N 1 0 446.851 4.995 20 0 IJADRO Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164430446 718947529 /nfs/dbraw/zinc/94/75/29/718947529.db2.gz VJMULHCSLCSFLK-YLJYHZDGSA-N 1 0 430.861 4.557 20 0 IJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623013 719048137 /nfs/dbraw/zinc/04/81/37/719048137.db2.gz LJDUUWDSWVFPHB-LAUBAEHRSA-N 1 0 446.954 4.987 20 0 IJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164627024 719048444 /nfs/dbraw/zinc/04/84/44/719048444.db2.gz UCVFLEVUHPSXJZ-FGCOXFRFSA-N 1 0 438.934 4.508 20 0 IJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164626823 719106810 /nfs/dbraw/zinc/10/68/10/719106810.db2.gz IYYJIKBOBHYSRZ-IRLDBZIGSA-N 1 0 427.577 4.854 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)nc1 ZINC001164662561 719344004 /nfs/dbraw/zinc/34/40/04/719344004.db2.gz PFTZVXDVJJYTDP-APFRJGHOSA-N 1 0 427.633 4.962 20 0 IJADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679768 719647899 /nfs/dbraw/zinc/64/78/99/719647899.db2.gz MPHJGUNJLVFAAM-UHFFFAOYSA-N 1 0 444.627 4.863 20 0 IJADRO COc1cccc2c1nc(Cl)nc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693666 719808346 /nfs/dbraw/zinc/80/83/46/719808346.db2.gz QTRRNRVPNWESKU-UHFFFAOYSA-N 1 0 444.004 4.692 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2ccn4C2CCCC2)CC3)cs1 ZINC001164692612 719809604 /nfs/dbraw/zinc/80/96/04/719809604.db2.gz LHPDZKVEJSAVBX-UHFFFAOYSA-N 1 0 436.629 4.946 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)nccc42)CC3)cs1 ZINC001164692697 719813050 /nfs/dbraw/zinc/81/30/50/719813050.db2.gz RDSVKVCINKIDJJ-UHFFFAOYSA-N 1 0 449.411 4.732 20 0 IJADRO CSc1ccc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164704168 719816223 /nfs/dbraw/zinc/81/62/23/719816223.db2.gz XXYNBEGJSIIUQA-UHFFFAOYSA-N 1 0 425.627 4.752 20 0 IJADRO FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696160 719887871 /nfs/dbraw/zinc/88/78/71/719887871.db2.gz ZZNOEKPUEZTIFW-UHFFFAOYSA-N 1 0 448.366 4.866 20 0 IJADRO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699078 719896919 /nfs/dbraw/zinc/89/69/19/719896919.db2.gz WXHNDFDZSQAIRP-UHFFFAOYSA-N 1 0 426.630 4.766 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808221 720103849 /nfs/dbraw/zinc/10/38/49/720103849.db2.gz DYPADUASCGFSNU-RLWLMLJZSA-N 1 0 448.636 4.851 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164714257 720110616 /nfs/dbraw/zinc/11/06/16/720110616.db2.gz BFGHSIYLZKRXKM-JOCHJYFZSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(Cl)cc1Cl)CC2 ZINC001164712595 720134418 /nfs/dbraw/zinc/13/44/18/720134418.db2.gz NSPMFPBKPMVYSI-GOSISDBHSA-N 1 0 435.399 4.599 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3CCCCC3)nc(C)n1)CC2 ZINC001164710820 720137431 /nfs/dbraw/zinc/13/74/31/720137431.db2.gz DDXMEIMOYGFZGC-DEOSSOPVSA-N 1 0 449.643 4.735 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813707 720170924 /nfs/dbraw/zinc/17/09/24/720170924.db2.gz DRZRZGJHQPJRSA-IDISGSTGSA-N 1 0 446.570 4.621 20 0 IJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164735061 720437803 /nfs/dbraw/zinc/43/78/03/720437803.db2.gz VMDNBALHRVPUIK-LEWJYISDSA-N 1 0 442.592 4.618 20 0 IJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164734448 720437870 /nfs/dbraw/zinc/43/78/70/720437870.db2.gz SEADDNYLYZEDAG-RPWUZVMVSA-N 1 0 425.511 4.684 20 0 IJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732905 720440206 /nfs/dbraw/zinc/44/02/06/720440206.db2.gz OUMVLVVRGJKLDL-RBUKOAKNSA-N 1 0 433.606 4.976 20 0 IJADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726896 720477825 /nfs/dbraw/zinc/47/78/25/720477825.db2.gz MXAVYANDBPKKFD-OALUTQOASA-N 1 0 442.350 4.824 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)CC[C@@H]21 ZINC001164836387 720546950 /nfs/dbraw/zinc/54/69/50/720546950.db2.gz JWCWSABWOQTFRF-HOJAQTOUSA-N 1 0 427.955 4.602 20 0 IJADRO Clc1nc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1Cl ZINC001164734096 720557089 /nfs/dbraw/zinc/55/70/89/720557089.db2.gz UKNHQRFUSIUUKO-UHFFFAOYSA-N 1 0 435.186 4.550 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(SCc4ccccc4)ccn3)CC[C@@H]21 ZINC001164841580 720618700 /nfs/dbraw/zinc/61/87/00/720618700.db2.gz TXFZHHRFOHWDJM-LSQMVHIFSA-N 1 0 447.652 4.948 20 0 IJADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843547 720636774 /nfs/dbraw/zinc/63/67/74/720636774.db2.gz XWZLWTRIJFJAHI-OJAHFUOMSA-N 1 0 431.028 4.526 20 0 IJADRO Cc1cccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844561 720680966 /nfs/dbraw/zinc/68/09/66/720680966.db2.gz UHHPZUSLPCVBDB-HXUWFJFHSA-N 1 0 436.987 4.852 20 0 IJADRO CCc1c(Cl)nnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1CC ZINC001164843336 720691479 /nfs/dbraw/zinc/69/14/79/720691479.db2.gz ODVYPKAISDBMHB-IBGZPJMESA-N 1 0 429.008 4.515 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164841647 720705167 /nfs/dbraw/zinc/70/51/67/720705167.db2.gz VGOZMWXOZSOYAN-VWLOTQADSA-N 1 0 443.591 4.921 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164840408 720705394 /nfs/dbraw/zinc/70/53/94/720705394.db2.gz QNDNDTTVXNMUDC-XMMPIXPASA-N 1 0 440.591 4.502 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164841684 720707445 /nfs/dbraw/zinc/70/74/45/720707445.db2.gz VSYHRALUQDDOFP-JOCHJYFZSA-N 1 0 448.542 4.668 20 0 IJADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164749146 720869865 /nfs/dbraw/zinc/86/98/65/720869865.db2.gz HIDKYZIOVMAEMG-LSYYVWMOSA-N 1 0 442.607 4.693 20 0 IJADRO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164754580 720885597 /nfs/dbraw/zinc/88/55/97/720885597.db2.gz JLVIIDKOWHSCSD-KCWPFWIISA-N 1 0 446.570 4.524 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)[C@H]2C ZINC001164857192 721001897 /nfs/dbraw/zinc/00/18/97/721001897.db2.gz CVWFYINUTVPKNO-HNNXBMFYSA-N 1 0 444.942 4.679 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)[C@@H]2C ZINC001164861845 721002322 /nfs/dbraw/zinc/00/23/22/721002322.db2.gz QYJBFTXRYBKKAU-VQTJNVASSA-N 1 0 447.631 4.627 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1)[C@@H]2C ZINC001164861627 721018472 /nfs/dbraw/zinc/01/84/72/721018472.db2.gz PCBDRGISVZYDGD-MRXNPFEDSA-N 1 0 426.952 4.540 20 0 IJADRO COC(=O)c1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ccc1Cl ZINC001164760012 721044028 /nfs/dbraw/zinc/04/40/28/721044028.db2.gz UGUUZECFEVMKMT-UHFFFAOYSA-N 1 0 427.976 4.713 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@H]32)nc1 ZINC001164878767 721251722 /nfs/dbraw/zinc/25/17/22/721251722.db2.gz VNNXWEBQAWZADJ-LIONHTAISA-N 1 0 436.600 4.619 20 0 IJADRO Cc1cc2c(nc(Cl)nc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164792481 721493164 /nfs/dbraw/zinc/49/31/64/721493164.db2.gz PITPVCAGESGPRA-UHFFFAOYSA-N 1 0 428.005 4.929 20 0 IJADRO COc1cccc2c1nc(Cl)nc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791939 721495154 /nfs/dbraw/zinc/49/51/54/721495154.db2.gz FOIYGBCXKLLTAJ-UHFFFAOYSA-N 1 0 437.975 4.568 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164796945 721499113 /nfs/dbraw/zinc/49/91/13/721499113.db2.gz ZUNYYOVEUZVBGL-UHFFFAOYSA-N 1 0 442.611 4.506 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164796700 721499524 /nfs/dbraw/zinc/49/95/24/721499524.db2.gz VPISWMLQLNBEAL-UHFFFAOYSA-N 1 0 443.382 4.608 20 0 IJADRO CCc1ccc(-c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164795730 721501399 /nfs/dbraw/zinc/50/13/99/721501399.db2.gz KZVAJVWSJYVXFE-UHFFFAOYSA-N 1 0 427.596 4.982 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164796666 721501406 /nfs/dbraw/zinc/50/14/06/721501406.db2.gz VAPIDDDBGVDDAA-UHFFFAOYSA-N 1 0 435.522 4.698 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164794688 721504165 /nfs/dbraw/zinc/50/41/65/721504165.db2.gz CYZJEWRJUHKNHK-UHFFFAOYSA-N 1 0 425.939 4.698 20 0 IJADRO Fc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907895 721701913 /nfs/dbraw/zinc/70/19/13/721701913.db2.gz VWYDBIHMVWVOEV-SFHVURJKSA-N 1 0 446.851 4.552 20 0 IJADRO Fc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908405 721703080 /nfs/dbraw/zinc/70/30/80/721703080.db2.gz YXXHRKMAIXGCSG-GOSISDBHSA-N 1 0 446.851 4.552 20 0 IJADRO Cc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908570 721708102 /nfs/dbraw/zinc/70/81/02/721708102.db2.gz YCWHMFABQSLUEV-IBGZPJMESA-N 1 0 442.888 4.721 20 0 IJADRO Cc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164908106 721717423 /nfs/dbraw/zinc/71/74/23/721717423.db2.gz VSJCYZZCBUUFMA-JOCHJYFZSA-N 1 0 443.929 4.724 20 0 IJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164909896 721736104 /nfs/dbraw/zinc/73/61/04/721736104.db2.gz FMFWOEIAFKZMSZ-QFIPXVFZSA-N 1 0 447.961 4.839 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)C[C@H]21 ZINC001165026454 721812788 /nfs/dbraw/zinc/81/27/88/721812788.db2.gz QRAPUCURGVXYTB-JXHRLWIKSA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)C[C@H]21 ZINC001165024736 721813197 /nfs/dbraw/zinc/81/31/97/721813197.db2.gz KKCSJGDAUQWEJX-WWPVKYPJSA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@@H]21 ZINC001165028931 721819820 /nfs/dbraw/zinc/81/98/20/721819820.db2.gz YCWJJFFDPGKWEX-NKKJXINNSA-N 1 0 448.014 4.853 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OCc4ccccc4)n3)C[C@@H]21 ZINC001165027326 721819956 /nfs/dbraw/zinc/81/99/56/721819956.db2.gz UIEMHYTZNKEZPT-PZUNEJSGSA-N 1 0 428.580 4.793 20 0 IJADRO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165028267 721826835 /nfs/dbraw/zinc/82/68/35/721826835.db2.gz UZZGQJQVUBOIDH-LLZJGCNPSA-N 1 0 427.596 4.838 20 0 IJADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027503 721829387 /nfs/dbraw/zinc/82/93/87/721829387.db2.gz SIRWKPYXTLAOSF-KSEOMHKRSA-N 1 0 449.002 4.632 20 0 IJADRO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026046 721830207 /nfs/dbraw/zinc/83/02/07/721830207.db2.gz ODBVIXAOIQYUJC-KIVTUJJHSA-N 1 0 431.559 4.723 20 0 IJADRO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1-c1ccccc1F ZINC001165025194 721830475 /nfs/dbraw/zinc/83/04/75/721830475.db2.gz MELMUVQBGNVJLW-BPUDTRNYSA-N 1 0 431.559 4.723 20 0 IJADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)C1 ZINC001165038901 721899470 /nfs/dbraw/zinc/89/94/70/721899470.db2.gz SXBRTXHTZHPIBY-LBPRGKRZSA-N 1 0 434.840 4.891 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)CC3)C2)cc1 ZINC001164938960 721923947 /nfs/dbraw/zinc/92/39/47/721923947.db2.gz DMCAMLNQKFWIOB-UHFFFAOYSA-N 1 0 448.998 4.977 20 0 IJADRO Clc1nc2c(c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n1)CN(Cc1ccccc1)CC2 ZINC001165049394 721966741 /nfs/dbraw/zinc/96/67/41/721966741.db2.gz RUVYGWKRZCFRPS-OAQYLSRUSA-N 1 0 440.035 4.533 20 0 IJADRO CC[NH+](CC)C1CCN(c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)CC1 ZINC001165054047 722004198 /nfs/dbraw/zinc/00/41/98/722004198.db2.gz YDLSMIIEGACHRM-UHFFFAOYSA-N 1 0 438.092 4.708 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951701 722005513 /nfs/dbraw/zinc/00/55/13/722005513.db2.gz IQIROKLOCUFKJK-XPWALMASSA-N 1 0 427.596 4.805 20 0 IJADRO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164956208 722021326 /nfs/dbraw/zinc/02/13/26/722021326.db2.gz YDSGCODIHPELCZ-UHFFFAOYSA-N 1 0 438.975 4.889 20 0 IJADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955708 722021614 /nfs/dbraw/zinc/02/16/14/722021614.db2.gz OGMZPCAECCEOKI-UHFFFAOYSA-N 1 0 436.563 4.579 20 0 IJADRO c1ccc(-c2nc3ccccc3c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)nc1 ZINC001164955469 722021935 /nfs/dbraw/zinc/02/19/35/722021935.db2.gz HYUXQEIROVJBJH-UHFFFAOYSA-N 1 0 436.563 4.579 20 0 IJADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963813 722057107 /nfs/dbraw/zinc/05/71/07/722057107.db2.gz MFXYZVRTIMBULP-UHFFFAOYSA-N 1 0 436.987 4.711 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)nc1 ZINC001164982222 722098232 /nfs/dbraw/zinc/09/82/32/722098232.db2.gz NAUFUUVKBAYWKQ-OUJSJNLKSA-N 1 0 447.627 4.565 20 0 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UDBUNXOQPSWISY-UPVQGACJSA-N 1 0 438.660 4.932 20 0 IJADRO [NH3+]CC1(F)CCN(C(F)(F)c2cc(-c3cccc(C(F)(F)F)c3)nnc2Cl)CC1 ZINC001164387065 718813702 /nfs/dbraw/zinc/81/37/02/718813702.db2.gz CTPVPADUVXDHAV-UHFFFAOYSA-N 1 0 438.803 4.628 20 0 IJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164414047 718881251 /nfs/dbraw/zinc/88/12/51/718881251.db2.gz PSGDLUGRWWXTRM-MRXNPFEDSA-N 1 0 446.851 4.995 20 0 IJADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415058 718881398 /nfs/dbraw/zinc/88/13/98/718881398.db2.gz ZVZSVYOYOVDRKM-FUHWJXTLSA-N 1 0 444.860 4.578 20 0 IJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415063 718881470 /nfs/dbraw/zinc/88/14/70/718881470.db2.gz ZVZSVYOYOVDRKM-WMZOPIPTSA-N 1 0 444.860 4.578 20 0 IJADRO C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCCC3)N1CCCCC1 ZINC001164422241 718910909 /nfs/dbraw/zinc/91/09/09/718910909.db2.gz YCNMHUMSJWOTRJ-UHFFFAOYSA-N 1 0 439.673 4.669 20 0 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CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164945841 721933738 /nfs/dbraw/zinc/93/37/38/721933738.db2.gz XNBHEKUEJIINPU-FQEVSTJZSA-N 1 0 433.600 4.651 20 0 IJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954148 722013397 /nfs/dbraw/zinc/01/33/97/722013397.db2.gz IZKVGNCICVLKIB-UHFFFAOYSA-N 1 0 443.929 4.716 20 0 IJADRO Clc1cccc2nc(Cl)c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164964236 722023988 /nfs/dbraw/zinc/02/39/88/722023988.db2.gz VWHVXHKVBYZQHN-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO FC(F)(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164963449 722025035 /nfs/dbraw/zinc/02/50/35/722025035.db2.gz UDNHDNBUMFSXQX-UHFFFAOYSA-N 1 0 432.946 4.743 20 0 IJADRO Fc1cccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164966880 722062513 /nfs/dbraw/zinc/06/25/13/722062513.db2.gz YDGWVSNHABSWOS-UHFFFAOYSA-N 1 0 440.950 4.541 20 0 IJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2ccn4Cc2ccccc2)C3)c1 ZINC001164995632 722202259 /nfs/dbraw/zinc/20/22/59/722202259.db2.gz OSQFJHSRIDOCME-HHHXNRCGSA-N 1 0 441.554 4.864 20 0 IJADRO Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164999119 722212047 /nfs/dbraw/zinc/21/20/47/722212047.db2.gz ZNWBZLGVGWKORU-XMMPIXPASA-N 1 0 437.950 4.884 20 0 IJADRO COc1ccccc1CC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000020927445 524422985 /nfs/dbraw/zinc/42/29/85/524422985.db2.gz SUYIYCZVLUQKMA-UHFFFAOYSA-N 1 0 429.152 4.561 20 0 IJADRO O=C(CSc1ccc(Br)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000032960857 563084352 /nfs/dbraw/zinc/08/43/52/563084352.db2.gz VPCROYOKYPBVTG-UHFFFAOYSA-N 1 0 425.436 4.846 20 0 IJADRO CCc1nc2c(nc(C)cc2C)n1Cc1ccc(/C=C/CN2CC[NH+](C(C)C)CC2)cc1 ZINC000096307260 563197394 /nfs/dbraw/zinc/19/73/94/563197394.db2.gz UAMIBPKKKLTAKG-BQYQJAHWSA-N 1 0 431.628 4.698 20 0 IJADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC001164410446 718876259 /nfs/dbraw/zinc/87/62/59/718876259.db2.gz BNCMBVATNVVYFO-ROUUACIJSA-N 1 0 439.654 4.592 20 0 IJADRO COc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)cc1 ZINC001164420494 718893319 /nfs/dbraw/zinc/89/33/19/718893319.db2.gz MFBDXLIGWIYDEW-HXUWFJFHSA-N 1 0 436.934 4.709 20 0 IJADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCCCC23CC[NH2+]CC3)cc1 ZINC001164419442 718911232 /nfs/dbraw/zinc/91/12/32/718911232.db2.gz ANUGNUUAQWWNAB-UHFFFAOYSA-N 1 0 449.929 4.846 20 0 IJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)c1 ZINC001164427521 718948262 /nfs/dbraw/zinc/94/82/62/718948262.db2.gz DEVCAIDLOWCILU-RXVVDRJESA-N 1 0 426.898 4.726 20 0 IJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164427520 718948574 /nfs/dbraw/zinc/94/85/74/718948574.db2.gz DEVCAIDLOWCILU-NQIIRXRSSA-N 1 0 426.898 4.726 20 0 IJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)nc12 ZINC001164623811 719045329 /nfs/dbraw/zinc/04/53/29/719045329.db2.gz NCAXDHBJPMOBFA-KKSFZXQISA-N 1 0 432.877 4.551 20 0 IJADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625995 719048365 /nfs/dbraw/zinc/04/83/65/719048365.db2.gz QDXNKRWSMCOTMT-NZQKXSOJSA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621879 719049103 /nfs/dbraw/zinc/04/91/03/719049103.db2.gz KDDLTPHZLMZLBD-CRAIPNDOSA-N 1 0 431.836 4.882 20 0 IJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CF)CC1 ZINC001164623213 719119012 /nfs/dbraw/zinc/11/90/12/719119012.db2.gz RPNJYLWVQZEALR-BDAKNGLRSA-N 1 0 439.696 4.648 20 0 IJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c(Cl)nn2)cc1 ZINC001164625924 719126097 /nfs/dbraw/zinc/12/60/97/719126097.db2.gz ZQKLJFWDULQNCV-AEFFLSMTSA-N 1 0 438.925 4.979 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164634912 719263014 /nfs/dbraw/zinc/26/30/14/719263014.db2.gz GVEQQBPMJGAFIL-OTUUDDROSA-N 1 0 435.616 4.898 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)nc1 ZINC001164665484 719364285 /nfs/dbraw/zinc/36/42/85/719364285.db2.gz XLTWJIGNHCHJQJ-RCZVLFRGSA-N 1 0 437.632 4.765 20 0 IJADRO CSc1nc2ccccc2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691967 719809614 /nfs/dbraw/zinc/80/96/14/719809614.db2.gz CPIDKEPXBYDBQK-UHFFFAOYSA-N 1 0 425.627 4.752 20 0 IJADRO COc1cc2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ccc2c(OC)c1 ZINC001164697886 719815979 /nfs/dbraw/zinc/81/59/79/719815979.db2.gz BMHDAYUZYUPJIJ-UHFFFAOYSA-N 1 0 438.597 4.652 20 0 IJADRO Fc1ccc2nc(Cl)cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695753 719889994 /nfs/dbraw/zinc/88/99/94/719889994.db2.gz VBBJXGGKIDPEFC-UHFFFAOYSA-N 1 0 431.964 4.960 20 0 IJADRO Clc1cccc(-c2cccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)n1 ZINC001164696726 719892979 /nfs/dbraw/zinc/89/29/79/719892979.db2.gz ICOOGGZHMSBLCC-UHFFFAOYSA-N 1 0 441.000 4.730 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811040 720137855 /nfs/dbraw/zinc/13/78/55/720137855.db2.gz KPITYBNEKUKEQS-QDPGVEIFSA-N 1 0 442.607 4.790 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164713101 720143712 /nfs/dbraw/zinc/14/37/12/720143712.db2.gz QXHRXWHOXXLAGQ-HSZRJFAPSA-N 1 0 445.611 4.656 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819186 720177085 /nfs/dbraw/zinc/17/70/85/720177085.db2.gz WKIZQKFIEGAYPQ-IBVKSMDESA-N 1 0 448.636 4.851 20 0 IJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164723146 720371644 /nfs/dbraw/zinc/37/16/44/720371644.db2.gz GHBICODWDZFFPY-VXKWHMMOSA-N 1 0 427.577 4.915 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164835851 720543417 /nfs/dbraw/zinc/54/34/17/720543417.db2.gz IOHDDAIDZWYBBN-BXWFABGCSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835854 720543827 /nfs/dbraw/zinc/54/38/27/720543827.db2.gz IOHDDAIDZWYBBN-TXPKVOOTSA-N 1 0 445.398 4.511 20 0 IJADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841374 720576293 /nfs/dbraw/zinc/57/62/93/720576293.db2.gz UJVURUJKMXZDDO-FGTMMUONSA-N 1 0 430.021 4.832 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)ccc(F)c34)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842740 720647235 /nfs/dbraw/zinc/64/72/35/720647235.db2.gz UALBRWFLLOQCMX-TXPKVOOTSA-N 1 0 445.945 4.741 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164839901 720680203 /nfs/dbraw/zinc/68/02/03/720680203.db2.gz CSMTWGOLHIHGNS-GOSISDBHSA-N 1 0 440.950 4.682 20 0 IJADRO Cc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164842050 720693487 /nfs/dbraw/zinc/69/34/87/720693487.db2.gz LHXUXCWHUOHBAI-LJQANCHMSA-N 1 0 435.946 4.848 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164836715 720729004 /nfs/dbraw/zinc/72/90/04/720729004.db2.gz FHXZMEZWBIXHMU-SFHVURJKSA-N 1 0 440.950 4.682 20 0 IJADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164749148 720869783 /nfs/dbraw/zinc/86/97/83/720869783.db2.gz HIDKYZIOVMAEMG-NAKRPHOHSA-N 1 0 442.607 4.693 20 0 IJADRO CSc1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164860495 720995402 /nfs/dbraw/zinc/99/54/02/720995402.db2.gz OLKWFKWRYAAZQL-ZDUSSCGKSA-N 1 0 429.968 4.620 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)[C@H]2C ZINC001164857274 721010311 /nfs/dbraw/zinc/01/03/11/721010311.db2.gz CCXGGLPDIKGGNN-HNNXBMFYSA-N 1 0 428.943 4.554 20 0 IJADRO c1cncc(-c2nc3sc4c(c3c(N3CC5(C3)CC[N@@H+](CC3CC3)C5)n2)CCCC4)c1 ZINC001164770266 721297739 /nfs/dbraw/zinc/29/77/39/721297739.db2.gz QOXWXSOMMTUWIM-UHFFFAOYSA-N 1 0 431.609 4.554 20 0 IJADRO COc1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@H+](CC3CC3)C4)cnc2Cl)c1 ZINC001164774347 721303859 /nfs/dbraw/zinc/30/38/59/721303859.db2.gz AFVKVRWSTAMPAJ-UHFFFAOYSA-N 1 0 433.930 4.878 20 0 IJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1 ZINC001164776575 721315889 /nfs/dbraw/zinc/31/58/89/721315889.db2.gz FKCPEMQCQJMZIJ-DEOSSOPVSA-N 1 0 431.559 4.830 20 0 IJADRO COCc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164793175 721490721 /nfs/dbraw/zinc/49/07/21/721490721.db2.gz OVWLSYJLRBGENB-UHFFFAOYSA-N 1 0 443.595 4.566 20 0 IJADRO CSc1nc2sccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792740 721490986 /nfs/dbraw/zinc/49/09/86/721490986.db2.gz LENWNVWEOBGKLH-UHFFFAOYSA-N 1 0 425.627 4.689 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164795583 721504818 /nfs/dbraw/zinc/50/48/18/721504818.db2.gz LVYLNZITAJVBSL-UHFFFAOYSA-N 1 0 430.531 4.526 20 0 IJADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[N@@H+]3C2)c1 ZINC001164906423 721563731 /nfs/dbraw/zinc/56/37/31/721563731.db2.gz IYQAPAKZISMKMN-WBVHZDCISA-N 1 0 448.876 4.702 20 0 IJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913838 721738149 /nfs/dbraw/zinc/73/81/49/721738149.db2.gz YUWKQUCMOOSQTI-OAQYLSRUSA-N 1 0 447.892 4.555 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cccc(F)c43)C[C@@H]21 ZINC001165025858 721807942 /nfs/dbraw/zinc/80/79/42/721807942.db2.gz PPFHFLCJACYDMG-OXFYSEKESA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3OCc3ccccc3)C[C@H]21 ZINC001165019717 721823248 /nfs/dbraw/zinc/82/32/48/721823248.db2.gz BIFGLZNSHJTKKL-ICDZXHCJSA-N 1 0 428.580 4.793 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@@H]21 ZINC001165025265 721826451 /nfs/dbraw/zinc/82/64/51/721826451.db2.gz MNKLWAWXSLQWID-HZUJVAHNSA-N 1 0 425.939 4.554 20 0 IJADRO CCc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165028261 721826636 /nfs/dbraw/zinc/82/66/36/721826636.db2.gz UZZGQJQVUBOIDH-FBILRYNDSA-N 1 0 427.596 4.838 20 0 IJADRO 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722061988 /nfs/dbraw/zinc/06/19/88/722061988.db2.gz FOUQGSLQWSFQND-UHFFFAOYSA-N 1 0 440.950 4.541 20 0 IJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983199 722109555 /nfs/dbraw/zinc/10/95/55/722109555.db2.gz YLHGSSUHCGBGBP-JTSKRJEESA-N 1 0 443.378 4.664 20 0 IJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164987445 722172999 /nfs/dbraw/zinc/17/29/99/722172999.db2.gz NOZVSPMQLRXSBT-UHFFFAOYSA-N 1 0 437.962 4.832 20 0 IJADRO Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000038269036 563097262 /nfs/dbraw/zinc/09/72/62/563097262.db2.gz DDDZBLNULGDPGA-UHFFFAOYSA-N 1 0 431.458 4.578 20 0 investigational IJADRO FC1(F)C[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164410041 718870043 /nfs/dbraw/zinc/87/00/43/718870043.db2.gz WLLUQHAAKKHHCE-FXAWDEMLSA-N 1 0 445.941 4.848 20 0 IJADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164413274 718881416 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4.730 20 0 IJADRO Clc1cccc2nc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc12 ZINC001164707307 719903814 /nfs/dbraw/zinc/90/38/14/719903814.db2.gz OYXPOHYZKNKVHR-UHFFFAOYSA-N 1 0 449.407 4.870 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164710019 720099526 /nfs/dbraw/zinc/09/95/26/720099526.db2.gz FPFIAEOBIQMIEC-JOCHJYFZSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811037 720137834 /nfs/dbraw/zinc/13/78/34/720137834.db2.gz KPITYBNEKUKEQS-FIPFOOKPSA-N 1 0 442.607 4.790 20 0 IJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164728555 720431598 /nfs/dbraw/zinc/43/15/98/720431598.db2.gz FRWYCIZYDBAULR-NHCUHLMSSA-N 1 0 431.540 4.746 20 0 IJADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724429 720471173 /nfs/dbraw/zinc/47/11/73/720471173.db2.gz GGPXPTPQUCUZHE-RBUKOAKNSA-N 1 0 444.341 4.838 20 0 IJADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725291 720477844 /nfs/dbraw/zinc/47/78/44/720477844.db2.gz JGIBMXWBIJDCCN-RTBURBONSA-N 1 0 442.350 4.824 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)CC[C@@H]21 ZINC001164841276 720506480 /nfs/dbraw/zinc/50/64/80/720506480.db2.gz YAJOMZOVLFZKSX-CUWPLCDZSA-N 1 0 427.955 4.602 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)CC[C@@H]21 ZINC001164841282 720506721 /nfs/dbraw/zinc/50/67/21/720506721.db2.gz YAJOMZOVLFZKSX-LMNJBCLMSA-N 1 0 427.955 4.602 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cc(C(C)(C)C)sc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840723 720523363 /nfs/dbraw/zinc/52/33/63/720523363.db2.gz XIOCNPSYHWVJOG-WSTZPKSXSA-N 1 0 438.645 4.563 20 0 IJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C3CC3)nc3scc(-c4ccccc4)c32)C1 ZINC001164733435 720528345 /nfs/dbraw/zinc/52/83/45/720528345.db2.gz JSXIKMXWHIGXNZ-QGZVFWFLSA-N 1 0 444.608 4.630 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@@H]21 ZINC001164842508 720528655 /nfs/dbraw/zinc/52/86/55/720528655.db2.gz XYRZRAJGKGHHTC-SYNHAJSKSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)cccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833625 720534388 /nfs/dbraw/zinc/53/43/88/720534388.db2.gz AYEXXOZDZRHPBG-JTDSTZFVSA-N 1 0 445.398 4.511 20 0 IJADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843546 720636144 /nfs/dbraw/zinc/63/61/44/720636144.db2.gz XWZLWTRIJFJAHI-MTFMMBMASA-N 1 0 431.028 4.526 20 0 IJADRO CSc1nc2sccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838882 720666056 /nfs/dbraw/zinc/66/60/56/720666056.db2.gz IEYBZXZWCFHAHX-GOSISDBHSA-N 1 0 440.638 4.673 20 0 IJADRO Cc1cc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164844891 720678064 /nfs/dbraw/zinc/67/80/64/720678064.db2.gz VVPKPFPHQLDPPI-SFHVURJKSA-N 1 0 443.016 4.913 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164842883 720706546 /nfs/dbraw/zinc/70/65/46/720706546.db2.gz ZVHBNFCKEZLVLG-FQEVSTJZSA-N 1 0 433.600 4.515 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164836908 720721441 /nfs/dbraw/zinc/72/14/41/720721441.db2.gz BSIDVJZUOCSMRH-JOCHJYFZSA-N 1 0 430.552 4.529 20 0 IJADRO CSc1ccc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164842810 720726869 /nfs/dbraw/zinc/72/68/69/720726869.db2.gz ZAFZKXUYLUSJRR-FQEVSTJZSA-N 1 0 434.609 4.612 20 0 IJADRO Clc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755449 720870429 /nfs/dbraw/zinc/87/04/29/720870429.db2.gz WZEXVGQDPBUHCZ-WMZHIEFXSA-N 1 0 447.410 4.539 20 0 IJADRO Clc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750872 720883520 /nfs/dbraw/zinc/88/35/20/720883520.db2.gz CCNBIIZTZFGZML-CVDCTZTESA-N 1 0 447.410 4.539 20 0 IJADRO 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428.989 4.605 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164845366 720684840 /nfs/dbraw/zinc/68/48/40/720684840.db2.gz YTQGHDFYLSAHNV-SFHVURJKSA-N 1 0 440.950 4.682 20 0 IJADRO Cc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164839521 720687970 /nfs/dbraw/zinc/68/79/70/720687970.db2.gz AFEOMDSZRUQYSL-HXUWFJFHSA-N 1 0 436.987 4.852 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164841934 720689611 /nfs/dbraw/zinc/68/96/11/720689611.db2.gz KFVKIIKABZCSEP-QGZVFWFLSA-N 1 0 439.909 4.679 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164840287 720706772 /nfs/dbraw/zinc/70/67/72/720706772.db2.gz ONRAYRRAECLFTN-IBGZPJMESA-N 1 0 429.008 4.687 20 0 IJADRO CCc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840976 720718086 /nfs/dbraw/zinc/71/80/86/720718086.db2.gz UAXUPFJKHKJODR-RUZDIDTESA-N 1 0 442.607 4.966 20 0 IJADRO 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/nfs/dbraw/zinc/80/99/82/721809982.db2.gz KHCBTTIOWVVZBP-ZAAXVRCTSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001165024199 721810314 /nfs/dbraw/zinc/81/03/14/721810314.db2.gz JPUNRGKIOACKGE-NQSCKRDGSA-N 1 0 426.008 4.531 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]21 ZINC001165024105 721817877 /nfs/dbraw/zinc/81/78/77/721817877.db2.gz IRYUPQDLPPLIQQ-SNYIIPAISA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)C[C@H]21 ZINC001165024100 721818199 /nfs/dbraw/zinc/81/81/99/721818199.db2.gz IRYUPQDLPPLIQQ-MEKIYTOJSA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]21 ZINC001165024089 721821407 /nfs/dbraw/zinc/82/14/07/721821407.db2.gz JSUZCEXXUVILGL-BAGYTPMASA-N 1 0 446.599 4.561 20 0 IJADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027502 721829211 /nfs/dbraw/zinc/82/92/11/721829211.db2.gz SIRWKPYXTLAOSF-ILWGZMRPSA-N 1 0 449.002 4.632 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@H]21 ZINC001165021477 721830082 /nfs/dbraw/zinc/83/00/82/721830082.db2.gz FTGOBZAPXUNLTK-TUACAJSNSA-N 1 0 445.636 4.901 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)C[C@H]21 ZINC001165025768 721831951 /nfs/dbraw/zinc/83/19/51/721831951.db2.gz NWPICWLYTIZXIS-QKYXUNIQSA-N 1 0 425.939 4.554 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(F)F)nc3ccccc32)CC1 ZINC001165020345 721844487 /nfs/dbraw/zinc/84/44/87/721844487.db2.gz CRCDNFVPJOXPES-UHFFFAOYSA-N 1 0 442.510 4.685 20 0 IJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001165041309 721935003 /nfs/dbraw/zinc/93/50/03/721935003.db2.gz PUXNHKQYXRZHSK-UHFFFAOYSA-N 1 0 433.934 4.612 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164952176 721998201 /nfs/dbraw/zinc/99/82/01/721998201.db2.gz QAHFFUFEDXDWKK-DEOSSOPVSA-N 1 0 446.599 4.599 20 0 IJADRO c1sc2nc(C3CC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967373 722076432 /nfs/dbraw/zinc/07/64/32/722076432.db2.gz BZNQNZCHUWXJAL-BGYRXZFFSA-N 1 0 432.593 4.535 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164982252 722098229 /nfs/dbraw/zinc/09/82/29/722098229.db2.gz NAUFUUVKBAYWKQ-PMHJDTQVSA-N 1 0 447.627 4.565 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978973 722166283 /nfs/dbraw/zinc/16/62/83/722166283.db2.gz SOOJTPMVHPSZRK-DGWZTRNLSA-N 1 0 427.633 4.963 20 0 IJADRO COc1ccc(OC)c(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)c1 ZINC001164998941 722210148 /nfs/dbraw/zinc/21/01/48/722210148.db2.gz YYMZSKJXTZPLDF-SANMLTNESA-N 1 0 448.542 4.545 20 0 IJADRO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2OC)cc1Br ZINC000013720835 568927782 /nfs/dbraw/zinc/92/77/82/568927782.db2.gz FGRMRBVFZVJKLV-UHFFFAOYSA-N 1 0 429.152 4.909 20 0 IJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCC3(CC([NH3+])C3)CC2)c2ccccc21 ZINC001164387755 718801787 /nfs/dbraw/zinc/80/17/87/718801787.db2.gz OIMJEIFIHFDPOJ-UHFFFAOYSA-N 1 0 431.918 4.541 20 0 IJADRO [NH3+]CC1(F)CCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001164394144 718813414 /nfs/dbraw/zinc/81/34/14/718813414.db2.gz YOFXXFYUIJGURE-UHFFFAOYSA-N 1 0 439.604 4.611 20 0 IJADRO FC(F)(F)[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CCC12CC[NH2+]CC2 ZINC001164388788 718815320 /nfs/dbraw/zinc/81/53/20/718815320.db2.gz QQQIHHCRAYCBAS-KRWDZBQOSA-N 1 0 446.851 4.853 20 0 IJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC34CCCC4)c21 ZINC001164399920 718845304 /nfs/dbraw/zinc/84/53/04/718845304.db2.gz KDLYCUUGIKPWBY-UHFFFAOYSA-N 1 0 437.971 4.920 20 0 IJADRO c1cc2c(nc(-c3ccccn3)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164629822 719106847 /nfs/dbraw/zinc/10/68/47/719106847.db2.gz TXAOMJANFWLTTB-DENIHFKCSA-N 1 0 427.577 4.854 20 0 IJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164626830 719106982 /nfs/dbraw/zinc/10/69/82/719106982.db2.gz IYYJIKBOBHYSRZ-UNMCSNQZSA-N 1 0 427.577 4.854 20 0 IJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164626827 719107489 /nfs/dbraw/zinc/10/74/89/719107489.db2.gz IYYJIKBOBHYSRZ-RBBKRZOGSA-N 1 0 427.577 4.854 20 0 IJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164625926 719126512 /nfs/dbraw/zinc/12/65/12/719126512.db2.gz ZQKLJFWDULQNCV-FUHWJXTLSA-N 1 0 438.925 4.979 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)nc1 ZINC001164665485 719364058 /nfs/dbraw/zinc/36/40/58/719364058.db2.gz XLTWJIGNHCHJQJ-RDGATRHJSA-N 1 0 437.632 4.765 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)nc1 ZINC001164665483 719364240 /nfs/dbraw/zinc/36/42/40/719364240.db2.gz XLTWJIGNHCHJQJ-DHLKQENFSA-N 1 0 437.632 4.765 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(Cl)cc2-c2ccncc2)CC3)cs1 ZINC001164694361 719805155 /nfs/dbraw/zinc/80/51/55/719805155.db2.gz XSSGXPBYPQJNEX-UHFFFAOYSA-N 1 0 441.004 4.592 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(-c4ccsc4)n2)CC3)cs1 ZINC001164693659 719814325 /nfs/dbraw/zinc/81/43/25/719814325.db2.gz XTCMVIYAABAWJN-UHFFFAOYSA-N 1 0 425.627 4.913 20 0 IJADRO Clc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1Cl ZINC001164696727 719896351 /nfs/dbraw/zinc/89/63/51/719896351.db2.gz IDHLXURWBXOOQZ-UHFFFAOYSA-N 1 0 449.407 4.870 20 0 IJADRO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707356 719909040 /nfs/dbraw/zinc/90/90/40/719909040.db2.gz QDZKHOBYKLQRQU-UHFFFAOYSA-N 1 0 444.000 4.830 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)C2 ZINC001164808217 720103974 /nfs/dbraw/zinc/10/39/74/720103974.db2.gz DYPADUASCGFSNU-LVXARBLLSA-N 1 0 448.636 4.851 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)C2 ZINC001164811039 720138574 /nfs/dbraw/zinc/13/85/74/720138574.db2.gz KPITYBNEKUKEQS-NEKDWFFYSA-N 1 0 442.607 4.790 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815638 720170747 /nfs/dbraw/zinc/17/07/47/720170747.db2.gz IRKOUCJXFVQXCE-HFZDXXHNSA-N 1 0 448.636 4.851 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)C2 ZINC001164815578 720184133 /nfs/dbraw/zinc/18/41/33/720184133.db2.gz IJRQEBZLTHTYSO-CPJSRVTESA-N 1 0 441.019 4.599 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)cc(Cl)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832381 720523000 /nfs/dbraw/zinc/52/30/00/720523000.db2.gz AKKGCTGSJYMCMF-IJEWVQPXSA-N 1 0 428.795 4.616 20 0 IJADRO Cc1sc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1-c1ccccc1 ZINC001164736824 720583196 /nfs/dbraw/zinc/58/31/96/720583196.db2.gz UXTLANIJHUSOPF-UHFFFAOYSA-N 1 0 444.608 4.522 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164839128 720647805 /nfs/dbraw/zinc/64/78/05/720647805.db2.gz IROWWFKWAAXLRS-GJYPPUQNSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)CC[C@@H]21 ZINC001164836932 720651890 /nfs/dbraw/zinc/65/18/90/720651890.db2.gz AGMHNKOVZSQODW-HBFSDRIKSA-N 1 0 427.955 4.602 20 0 IJADRO COc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(C)cc2c1 ZINC001164840511 720656619 /nfs/dbraw/zinc/65/66/19/720656619.db2.gz NBCAOVCMAJYXHR-HSZRJFAPSA-N 1 0 431.580 4.812 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164840561 720664213 /nfs/dbraw/zinc/66/42/13/720664213.db2.gz NNWZAZLIEKORON-KRWDZBQOSA-N 1 0 439.909 4.679 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164840490 720668550 /nfs/dbraw/zinc/66/85/50/720668550.db2.gz MUNLFEKMUOHYFH-KRWDZBQOSA-N 1 0 439.909 4.679 20 0 IJADRO COc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc(C)c2c1 ZINC001164845320 720690803 /nfs/dbraw/zinc/69/08/03/720690803.db2.gz YDZCFXCDULHXOY-JOCHJYFZSA-N 1 0 431.580 4.812 20 0 IJADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837564 720724951 /nfs/dbraw/zinc/72/49/51/720724951.db2.gz DRDKLTMXQUINBR-HXUWFJFHSA-N 1 0 429.008 4.822 20 0 IJADRO CSc1ccc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164864144 720971848 /nfs/dbraw/zinc/97/18/48/720971848.db2.gz XVRLTBCBYYGTLT-ZDUSSCGKSA-N 1 0 429.968 4.620 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(OCc3ccccc3)cc1Cl)[C@H]2C ZINC001164857245 720992711 /nfs/dbraw/zinc/99/27/11/720992711.db2.gz FENQMZPSDJNQHR-SFHVURJKSA-N 1 0 439.991 4.932 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@@H]2C ZINC001164858953 721004600 /nfs/dbraw/zinc/00/46/00/721004600.db2.gz JNVFMHXKOPHGIT-QGZVFWFLSA-N 1 0 432.597 4.976 20 0 IJADRO COC(=O)c1cccc2nc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)ncc21 ZINC001164759207 721043402 /nfs/dbraw/zinc/04/34/02/721043402.db2.gz LFMNJPYULPIIQY-UHFFFAOYSA-N 1 0 444.579 4.607 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(COCc4ccccn4)cncc3C2)nc1 ZINC001164766119 721271539 /nfs/dbraw/zinc/27/15/39/721271539.db2.gz NFRVYBMALAWPRT-AREMUKBSSA-N 1 0 443.595 4.698 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)nc1 ZINC001164873712 721319141 /nfs/dbraw/zinc/31/91/41/721319141.db2.gz ALCDRYUDIGKQHK-RPWUZVMVSA-N 1 0 432.612 4.519 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1 ZINC001164894481 721476276 /nfs/dbraw/zinc/47/62/76/721476276.db2.gz NBOYVMGUENXMME-IGKIAQTJSA-N 1 0 447.627 4.575 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164795148 721500621 /nfs/dbraw/zinc/50/06/21/721500621.db2.gz FHSJZZCDYOEZJG-UHFFFAOYSA-N 1 0 447.961 4.828 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164799341 721582844 /nfs/dbraw/zinc/58/28/44/721582844.db2.gz AWGLHKLYSWBNGG-MZKUHISZSA-N 1 0 446.620 4.637 20 0 IJADRO Cc1sc2nc(C)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164907046 721702282 /nfs/dbraw/zinc/70/22/82/721702282.db2.gz QMXRJSXXEZMNBH-QFIPXVFZSA-N 1 0 443.567 4.749 20 0 IJADRO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc(C)c2c1 ZINC001164907406 721705438 /nfs/dbraw/zinc/70/54/38/721705438.db2.gz ROXMRUCKWYUILY-XMMPIXPASA-N 1 0 438.522 4.685 20 0 IJADRO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024577 721802636 /nfs/dbraw/zinc/80/26/36/721802636.db2.gz MFCWPQBEIZJTQZ-ZYSHUDEJSA-N 1 0 425.627 4.545 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@H]21 ZINC001165029473 721808777 /nfs/dbraw/zinc/80/87/77/721808777.db2.gz ZEGRSASWXSKJDH-MDNUFGMLSA-N 1 0 448.014 4.853 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]21 ZINC001165026447 721809222 /nfs/dbraw/zinc/80/92/22/721809222.db2.gz QJHMHIXAAIRFQV-WDUKFBBWSA-N 1 0 443.929 4.693 20 0 IJADRO CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022700 721809970 /nfs/dbraw/zinc/80/99/70/721809970.db2.gz GTSUHKQHJXBZMP-WDYCEAGBSA-N 1 0 425.627 4.545 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165027429 721820341 /nfs/dbraw/zinc/82/03/41/721820341.db2.gz URQWLQUTDARNFU-YFXJRYMSSA-N 1 0 433.531 4.540 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)C[C@H]21 ZINC001165021466 721830223 /nfs/dbraw/zinc/83/02/23/721830223.db2.gz FTGOBZAPXUNLTK-AGILITTLSA-N 1 0 445.636 4.901 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(SC)nc3sccc32)CC1 ZINC001165019378 721838477 /nfs/dbraw/zinc/83/84/77/721838477.db2.gz FGSYALXBWRSHNZ-UHFFFAOYSA-N 1 0 444.626 4.531 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ccn3C2CCCC2)CC1 ZINC001165023262 721841520 /nfs/dbraw/zinc/84/15/20/721841520.db2.gz ZLYPMNSXNHYRJF-UHFFFAOYSA-N 1 0 449.599 4.664 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(F)c(-c5ccsc5)n4)CC3)C2)cc1 ZINC001164939762 721932966 /nfs/dbraw/zinc/93/29/66/721932966.db2.gz AVUUVNRBKNPTHS-UHFFFAOYSA-N 1 0 438.572 4.524 20 0 IJADRO CSc1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164940866 721933057 /nfs/dbraw/zinc/93/30/57/721933057.db2.gz FJCQCWIYRBDVRO-UHFFFAOYSA-N 1 0 434.609 4.532 20 0 IJADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955377 722012521 /nfs/dbraw/zinc/01/25/21/722012521.db2.gz VEHXKBSWAMCKOI-UHFFFAOYSA-N 1 0 427.326 4.821 20 0 IJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977864 722153623 /nfs/dbraw/zinc/15/36/23/722153623.db2.gz YYDVDEGACKODQX-DYESRHJHSA-N 1 0 443.378 4.664 20 0 IJADRO O=C(NC1CCCCC1)c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994158 722193265 /nfs/dbraw/zinc/19/32/65/722193265.db2.gz KXRFFDHCWXDUNS-SANMLTNESA-N 1 0 436.575 4.528 20 0 IJADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996765 722202470 /nfs/dbraw/zinc/20/24/70/722202470.db2.gz WNRJARCWLFOSHY-DEOSSOPVSA-N 1 0 444.982 4.647 20 0 IJADRO [NH3+]CC1(F)CCN(C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)CC1 ZINC001164386835 718813696 /nfs/dbraw/zinc/81/36/96/718813696.db2.gz AVHUCKUOCSJEQU-UHFFFAOYSA-N 1 0 438.803 4.628 20 0 IJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CCC12CC[NH2+]CC2 ZINC001164389414 718815478 /nfs/dbraw/zinc/81/54/78/718815478.db2.gz WCHALWSIWVFFEV-QGZVFWFLSA-N 1 0 446.851 4.853 20 0 IJADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCCC45CC[NH2+]CC5)c23)C1 ZINC001164422239 718912054 /nfs/dbraw/zinc/91/20/54/718912054.db2.gz YCIIEDYTFKCXMD-GOSISDBHSA-N 1 0 439.673 4.524 20 0 IJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)nc12 ZINC001164623802 719044699 /nfs/dbraw/zinc/04/46/99/719044699.db2.gz NCAXDHBJPMOBFA-HRAATJIYSA-N 1 0 432.877 4.551 20 0 IJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)nc12 ZINC001164623808 719045297 /nfs/dbraw/zinc/04/52/97/719045297.db2.gz NCAXDHBJPMOBFA-IIBYNOLFSA-N 1 0 432.877 4.551 20 0 IJADRO Fc1ccc2nc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)nc(Cl)c2c1 ZINC001164618289 719045908 /nfs/dbraw/zinc/04/59/08/719045908.db2.gz ALDULYKIKYVVTN-DYESRHJHSA-N 1 0 432.877 4.551 20 0 IJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164622267 719047627 /nfs/dbraw/zinc/04/76/27/719047627.db2.gz KMZMZHUCEVSAFN-HFZDXXHNSA-N 1 0 449.668 4.733 20 0 IJADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164622545 719093097 /nfs/dbraw/zinc/09/30/97/719093097.db2.gz CBIDAYPVDRIUMW-JKSUJKDBSA-N 1 0 427.326 4.515 20 0 IJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2CF)CC1 ZINC001164623225 719119519 /nfs/dbraw/zinc/11/95/19/719119519.db2.gz RPNJYLWVQZEALR-IUCAKERBSA-N 1 0 439.696 4.648 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4cccc(F)c42)CC3)cs1 ZINC001164694119 719807446 /nfs/dbraw/zinc/80/74/46/719807446.db2.gz 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Clc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164694697 719888494 /nfs/dbraw/zinc/88/84/94/719888494.db2.gz CJFXZOBOLLMXEA-UHFFFAOYSA-N 1 0 441.000 4.730 20 0 IJADRO Clc1cc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001164694887 719888892 /nfs/dbraw/zinc/88/88/92/719888892.db2.gz GVRHHNDNIAUMKR-UHFFFAOYSA-N 1 0 432.804 4.975 20 0 IJADRO Clc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(-c2ccccc2)nn1 ZINC001164698257 719892638 /nfs/dbraw/zinc/89/26/38/719892638.db2.gz QKGDPRIUWWKVBT-UHFFFAOYSA-N 1 0 441.000 4.730 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164718647 720120633 /nfs/dbraw/zinc/12/06/33/720120633.db2.gz UILOXXLNAKHPDH-NRFANRHFSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(C)ccc(F)c3cc1C)CC2 ZINC001164716954 720126515 /nfs/dbraw/zinc/12/65/15/720126515.db2.gz MHSRBFXILVKQMB-JOCHJYFZSA-N 1 0 448.586 4.893 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 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QYJBFTXRYBKKAU-WOJBJXKFSA-N 1 0 447.631 4.627 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@@H]2C ZINC001164861060 721010735 /nfs/dbraw/zinc/01/07/35/721010735.db2.gz NKZVTZLXVNMHAQ-LJQANCHMSA-N 1 0 426.568 4.915 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)[C@@H]2C ZINC001164857275 721011033 /nfs/dbraw/zinc/01/10/33/721011033.db2.gz CCXGGLPDIKGGNN-OAHLLOKOSA-N 1 0 428.943 4.554 20 0 IJADRO COc1cc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(Cl)n1 ZINC001164793216 721491469 /nfs/dbraw/zinc/49/14/69/721491469.db2.gz PUMDRNADYNDKMU-UHFFFAOYSA-N 1 0 436.934 4.565 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164796368 721498805 /nfs/dbraw/zinc/49/88/05/721498805.db2.gz RTGUVBFKFWBDDW-UHFFFAOYSA-N 1 0 425.580 4.518 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164795473 721502063 /nfs/dbraw/zinc/50/20/63/721502063.db2.gz IEVAYEUMYPPACY-UHFFFAOYSA-N 1 0 425.939 4.698 20 0 IJADRO CC(C)c1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164905745 721583384 /nfs/dbraw/zinc/58/33/84/721583384.db2.gz VVSUNXPVPRLXQR-JOCHJYFZSA-N 1 0 443.567 4.947 20 0 IJADRO Fc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907894 721701434 /nfs/dbraw/zinc/70/14/34/721701434.db2.gz VWYDBIHMVWVOEV-GOSISDBHSA-N 1 0 446.851 4.552 20 0 IJADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028874 721817575 /nfs/dbraw/zinc/81/75/75/721817575.db2.gz XVBQSURYRJNRCO-YUXAGFNASA-N 1 0 427.552 4.816 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)C[C@H]21 ZINC001165023215 721825572 /nfs/dbraw/zinc/82/55/72/721825572.db2.gz IIDQCTLXZWSEFL-BPUDTRNYSA-N 1 0 433.987 4.929 20 0 IJADRO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165027872 721825880 /nfs/dbraw/zinc/82/58/80/721825880.db2.gz UQCGDONHMIHZTO-BBVWWWHTSA-N 1 0 427.596 4.892 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)C[C@H]21 ZINC001165019875 721826875 /nfs/dbraw/zinc/82/68/75/721826875.db2.gz CIFDZRNRDOJNRD-KSEOMHKRSA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@H]21 ZINC001165024063 721828748 /nfs/dbraw/zinc/82/87/48/721828748.db2.gz JOQLAUBSULIVHJ-GMKZXUHWSA-N 1 0 445.636 4.901 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1 ZINC001164948316 721967966 /nfs/dbraw/zinc/96/79/66/721967966.db2.gz SYGSRHVIEGPIEW-STROYTFGSA-N 1 0 446.639 4.788 20 0 IJADRO Clc1ccc2c(Cl)ncnc2c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958769 722025128 /nfs/dbraw/zinc/02/51/28/722025128.db2.gz FWNOLSABLDUFSP-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO Cc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1C ZINC001164961503 722060387 /nfs/dbraw/zinc/06/03/87/722060387.db2.gz KZPJKSBQCDUCGB-UHFFFAOYSA-N 1 0 430.596 4.674 20 0 IJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977868 722153356 /nfs/dbraw/zinc/15/33/56/722153356.db2.gz YYDVDEGACKODQX-UTKZUKDTSA-N 1 0 443.378 4.664 20 0 IJADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995987 722202314 /nfs/dbraw/zinc/20/23/14/722202314.db2.gz REQFNEHLBFNTFG-DEOSSOPVSA-N 1 0 444.982 4.647 20 0 IJADRO CC(C)(C)c1noc(-c2ccnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2)n1 ZINC001164994408 722206758 /nfs/dbraw/zinc/20/67/58/722206758.db2.gz GFJJWCKJBPKZKA-VWLOTQADSA-N 1 0 435.547 4.813 20 0 IJADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000012774803 526293576 /nfs/dbraw/zinc/29/35/76/526293576.db2.gz CKKJRQHBUXVMSV-VWLOTQADSA-N 1 0 439.003 4.805 20 0 IJADRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936014 557052540 /nfs/dbraw/zinc/05/25/40/557052540.db2.gz WPWCZTCPVJVLRR-LJQANCHMSA-N 1 0 433.390 4.611 20 0 IJADRO CC(C)(CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010473856 557221188 /nfs/dbraw/zinc/22/11/88/557221188.db2.gz OGJJUMCGORHBEJ-UHFFFAOYSA-N 1 0 443.179 4.651 20 0 IJADRO Fc1ccc2nc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)nc(Cl)c2c1 ZINC001164413944 718880532 /nfs/dbraw/zinc/88/05/32/718880532.db2.gz OWFKDVHXILIOOS-ZDUSSCGKSA-N 1 0 438.803 4.621 20 0 IJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164414320 718880877 /nfs/dbraw/zinc/88/08/77/718880877.db2.gz RGWCXVMFVNXEMX-OAHLLOKOSA-N 1 0 446.851 4.995 20 0 IJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164413275 718881289 /nfs/dbraw/zinc/88/12/89/718881289.db2.gz GHNCNMONQDEFDR-MRXNPFEDSA-N 1 0 446.851 4.995 20 0 IJADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164414013 718881503 /nfs/dbraw/zinc/88/15/03/718881503.db2.gz PKEIWFRPEXQVRZ-INIZCTEOSA-N 1 0 446.851 4.995 20 0 IJADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCCC45CC[NH2+]CC5)c23)C1 ZINC001164422240 718911720 /nfs/dbraw/zinc/91/17/20/718911720.db2.gz YCIIEDYTFKCXMD-SFHVURJKSA-N 1 0 439.673 4.524 20 0 IJADRO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)c1 ZINC001164430444 718947385 /nfs/dbraw/zinc/94/73/85/718947385.db2.gz VJMULHCSLCSFLK-PXNSSMCTSA-N 1 0 430.861 4.557 20 0 IJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164427522 718948027 /nfs/dbraw/zinc/94/80/27/718948027.db2.gz DEVCAIDLOWCILU-WIYYLYMNSA-N 1 0 426.898 4.726 20 0 IJADRO F[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)C[C@H]2C[C@H]21 ZINC001164431998 718963556 /nfs/dbraw/zinc/96/35/56/718963556.db2.gz UMHWQIPMBAYWOB-DBXWQHBBSA-N 1 0 427.951 4.551 20 0 IJADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)ccc4ccc(Cl)nc43)CC2)CC1 ZINC001164618585 719034759 /nfs/dbraw/zinc/03/47/59/719034759.db2.gz UWGWLSRMEBWHTA-UHFFFAOYSA-N 1 0 436.383 4.786 20 0 IJADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628321 719048350 /nfs/dbraw/zinc/04/83/50/719048350.db2.gz XYPPQMDCAURHEV-UTKZUKDTSA-N 1 0 430.886 4.518 20 0 IJADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164624396 719085939 /nfs/dbraw/zinc/08/59/39/719085939.db2.gz LWBDAZFFITVDDE-YLJYHZDGSA-N 1 0 439.922 4.557 20 0 IJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164625938 719126419 /nfs/dbraw/zinc/12/64/19/719126419.db2.gz ZQKLJFWDULQNCV-WMZOPIPTSA-N 1 0 438.925 4.979 20 0 IJADRO Fc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164652606 719296631 /nfs/dbraw/zinc/29/66/31/719296631.db2.gz NQSMFQCQEZVEQY-URXFXBBRSA-N 1 0 444.982 4.519 20 0 IJADRO CC(C)N(C)Cc1nn(-c2cc(-c3ccccc3)nc(-c3cccs3)n2)c2c1CC[NH2+]C2 ZINC001164679557 719642509 /nfs/dbraw/zinc/64/25/09/719642509.db2.gz GKGGZJFTDWMWFP-UHFFFAOYSA-N 1 0 444.608 4.544 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4sc5c(c42)CCC5)CC3)cs1 ZINC001164693662 719813493 /nfs/dbraw/zinc/81/34/93/719813493.db2.gz YARNFYYWNFDURN-UHFFFAOYSA-N 1 0 425.627 4.580 20 0 IJADRO Clc1cnc2cc(Cl)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2n1 ZINC001164695306 719891066 /nfs/dbraw/zinc/89/10/66/719891066.db2.gz MOKZMCFGIPBYIH-UHFFFAOYSA-N 1 0 449.407 4.870 20 0 IJADRO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164695686 719892016 /nfs/dbraw/zinc/89/20/16/719892016.db2.gz QWOYKGGOPRBFGD-UHFFFAOYSA-N 1 0 428.989 4.525 20 0 IJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncccc4OCc4ccccc4)CC3)C2)c1 ZINC001164696241 719897785 /nfs/dbraw/zinc/89/77/85/719897785.db2.gz DRFDOWDWHYLHAI-UHFFFAOYSA-N 1 0 435.593 4.594 20 0 IJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696883 719897833 /nfs/dbraw/zinc/89/78/33/719897833.db2.gz IFCWPKJRPRKJEV-UHFFFAOYSA-N 1 0 435.037 4.669 20 0 IJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705880 719903472 /nfs/dbraw/zinc/90/34/72/719903472.db2.gz FALVWLWMSPRDRC-UHFFFAOYSA-N 1 0 435.037 4.570 20 0 IJADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164706281 719904854 /nfs/dbraw/zinc/90/48/54/719904854.db2.gz GYALXOJFCBHQQN-MRXNPFEDSA-N 1 0 435.037 4.885 20 0 IJADRO FC(F)(Sc1ccc(Cl)nc1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707945 719906888 /nfs/dbraw/zinc/90/68/88/719906888.db2.gz ZYPSCBZMSNOBJA-UHFFFAOYSA-N 1 0 445.988 4.806 20 0 IJADRO Clc1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C2CC2)n1 ZINC001164705922 719908024 /nfs/dbraw/zinc/90/80/24/719908024.db2.gz FVKQKEIFALIMIK-UHFFFAOYSA-N 1 0 439.412 4.594 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811090 720133277 /nfs/dbraw/zinc/13/32/77/720133277.db2.gz LIMBKKRJORUWTF-GCJKJVERSA-N 1 0 435.946 4.618 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164814996 720148234 /nfs/dbraw/zinc/14/82/34/720148234.db2.gz VCOBWIJZEMYIJA-VGSWGCGISA-N 1 0 435.946 4.618 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811365 720196557 /nfs/dbraw/zinc/19/65/57/720196557.db2.gz GSYIWXDZTIVGKS-HJPURHCSSA-N 1 0 435.946 4.660 20 0 IJADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164731551 720435409 /nfs/dbraw/zinc/43/54/09/720435409.db2.gz LVKHGHYWUOVDIC-YADHBBJMSA-N 1 0 443.576 4.615 20 0 IJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732900 720439849 /nfs/dbraw/zinc/43/98/49/720439849.db2.gz OUMVLVVRGJKLDL-OALUTQOASA-N 1 0 433.606 4.976 20 0 IJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726771 720476790 /nfs/dbraw/zinc/47/67/90/720476790.db2.gz LXGTYVJMLXNEGV-WOJBJXKFSA-N 1 0 435.959 4.733 20 0 IJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731980 720477114 /nfs/dbraw/zinc/47/71/14/720477114.db2.gz YHFWMMAPLYIELN-RTWAWAEBSA-N 1 0 435.959 4.733 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840032 720511916 /nfs/dbraw/zinc/51/19/16/720511916.db2.gz VZGLSYIRJVINIY-RVKKMQEKSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c(F)ccc(F)c34)CC[C@@H]21 ZINC001164842721 720647915 /nfs/dbraw/zinc/64/79/15/720647915.db2.gz UALBRWFLLOQCMX-BXWFABGCSA-N 1 0 445.945 4.741 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164844544 720694749 /nfs/dbraw/zinc/69/47/49/720694749.db2.gz TYRPTOVPJRYNAX-HSZRJFAPSA-N 1 0 445.611 4.806 20 0 IJADRO CC(C)c1noc(-c2ccnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2)n1 ZINC001164841723 720720736 /nfs/dbraw/zinc/72/07/36/720720736.db2.gz WFPMZZCRMPRGGU-JOCHJYFZSA-N 1 0 447.583 4.515 20 0 IJADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837562 720724135 /nfs/dbraw/zinc/72/41/35/720724135.db2.gz DRDKLTMXQUINBR-FQEVSTJZSA-N 1 0 429.008 4.822 20 0 IJADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840305 720726337 /nfs/dbraw/zinc/72/63/37/720726337.db2.gz OUIPJUOHNYVUTK-XMMPIXPASA-N 1 0 446.570 4.851 20 0 IJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836098 720736800 /nfs/dbraw/zinc/73/68/00/720736800.db2.gz AGBRMLWMXXJZSK-UHFFFAOYSA-N 1 0 431.918 4.682 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847600 720808463 /nfs/dbraw/zinc/80/84/63/720808463.db2.gz BBZCCJLHAKQBIU-LBNVMWSVSA-N 1 0 446.639 4.956 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847601 720808756 /nfs/dbraw/zinc/80/87/56/720808756.db2.gz BBZCCJLHAKQBIU-LEAFIULHSA-N 1 0 446.639 4.956 20 0 IJADRO Cc1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164753392 720868952 /nfs/dbraw/zinc/86/89/52/720868952.db2.gz PGXQYSSIJUBBHP-LBNVMWSVSA-N 1 0 442.607 4.693 20 0 IJADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164755966 720887722 /nfs/dbraw/zinc/88/77/22/720887722.db2.gz NUNCSUUQMAWVOQ-YWEHKCAJSA-N 1 0 442.607 4.693 20 0 IJADRO 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CSc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022698 721810092 /nfs/dbraw/zinc/81/00/92/721810092.db2.gz GTSUHKQHJXBZMP-VDZJLULYSA-N 1 0 425.627 4.545 20 0 IJADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028854 721817378 /nfs/dbraw/zinc/81/73/78/721817378.db2.gz XVBQSURYRJNRCO-BWAGFHJFSA-N 1 0 427.552 4.816 20 0 IJADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028870 721817748 /nfs/dbraw/zinc/81/77/48/721817748.db2.gz XVBQSURYRJNRCO-VLCRHTCISA-N 1 0 427.552 4.816 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165027424 721820334 /nfs/dbraw/zinc/82/03/34/721820334.db2.gz URQWLQUTDARNFU-CDNPAEQRSA-N 1 0 433.531 4.540 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001165026874 721820665 /nfs/dbraw/zinc/82/06/65/721820665.db2.gz RXQCGFQRZBGEPA-QXAKKESOSA-N 1 0 445.945 4.893 20 0 IJADRO Cc1nc2sc3c(c2c(N2C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C2)n1)CCC3 ZINC001165025674 721823076 /nfs/dbraw/zinc/82/30/76/721823076.db2.gz NJRINTJTXTVVJJ-YYWHXJBOSA-N 1 0 433.625 4.620 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)C[C@H]21 ZINC001165025274 721826202 /nfs/dbraw/zinc/82/62/02/721826202.db2.gz MNKLWAWXSLQWID-QLVMHMETSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165027555 721826328 /nfs/dbraw/zinc/82/63/28/721826328.db2.gz SPQKRJDLRWHWMJ-OFAXGOBFSA-N 1 0 433.531 4.540 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)C[C@H]21 ZINC001165027037 721826869 /nfs/dbraw/zinc/82/68/69/721826869.db2.gz REZIPZSHENVBEW-LYHRCORUSA-N 1 0 435.522 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@@H]21 ZINC001165027861 721827780 /nfs/dbraw/zinc/82/77/80/721827780.db2.gz UHYXTBCCMLGFJS-OEMFJLHTSA-N 1 0 445.636 4.901 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001165030191 721831702 /nfs/dbraw/zinc/83/17/02/721831702.db2.gz YRNYCDLCJKGYCD-DUXKGJEZSA-N 1 0 446.973 4.987 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3cccc(C)c32)CC1 ZINC001165019248 721840727 /nfs/dbraw/zinc/84/07/27/721840727.db2.gz BLDVHSQUSQKDDP-UHFFFAOYSA-N 1 0 440.975 4.710 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)CC3)C2)cc1 ZINC001164938968 721921618 /nfs/dbraw/zinc/92/16/18/721921618.db2.gz DYCOXPUUWLURPG-UHFFFAOYSA-N 1 0 448.998 4.977 20 0 IJADRO CCc1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164940223 721932018 /nfs/dbraw/zinc/93/20/18/721932018.db2.gz SOZLGGQXNDDWIE-UHFFFAOYSA-N 1 0 435.399 4.526 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1 ZINC001164952180 721998336 /nfs/dbraw/zinc/99/83/36/721998336.db2.gz QAHFFUFEDXDWKK-XMMPIXPASA-N 1 0 446.599 4.599 20 0 IJADRO Clc1cc2c(Cl)ccnc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953847 722016971 /nfs/dbraw/zinc/01/69/71/722016971.db2.gz ZIWZMCSYTWADIT-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO c1ccc(Oc2ccc(-c3ccc(N4CC[NH+](CCc5ccccn5)CC4)nn3)cc2)cc1 ZINC001165055558 722019221 /nfs/dbraw/zinc/01/92/21/722019221.db2.gz PWZGYCPAIZEFCD-UHFFFAOYSA-N 1 0 437.547 4.696 20 0 IJADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956045 722019301 /nfs/dbraw/zinc/01/93/01/722019301.db2.gz VBCZJHYDAHAMRO-UHFFFAOYSA-N 1 0 442.991 4.578 20 0 IJADRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957961 722027613 /nfs/dbraw/zinc/02/76/13/722027613.db2.gz CKRXQYMLHUEDBO-XUZZJYLKSA-N 1 0 429.992 4.761 20 0 IJADRO Clc1cc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164960483 722053892 /nfs/dbraw/zinc/05/38/92/722053892.db2.gz PGXNJJGTEJMJES-UHFFFAOYSA-N 1 0 441.790 4.556 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164982218 722098115 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LJDUUWDSWVFPHB-UTKZUKDTSA-N 1 0 446.954 4.987 20 0 IJADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692895 719809717 /nfs/dbraw/zinc/80/97/17/719809717.db2.gz NNCASMWZJYDWBF-UHFFFAOYSA-N 1 0 449.020 4.620 20 0 IJADRO Clc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164700289 719886084 /nfs/dbraw/zinc/88/60/84/719886084.db2.gz JFOLMLIXINDFJY-UHFFFAOYSA-N 1 0 449.407 4.870 20 0 IJADRO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc12 ZINC001164698458 719895490 /nfs/dbraw/zinc/89/54/90/719895490.db2.gz UGPRJOQPYHPJHS-UHFFFAOYSA-N 1 0 425.573 4.924 20 0 IJADRO Clc1ccccc1-c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164696222 719895563 /nfs/dbraw/zinc/89/55/63/719895563.db2.gz CLJARDNPORMDPS-UHFFFAOYSA-N 1 0 441.000 4.730 20 0 IJADRO CC(C)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C(C)(C)C)n1 ZINC001164705913 719901469 /nfs/dbraw/zinc/90/14/69/719901469.db2.gz FSSRJWOGUZUEDP-UHFFFAOYSA-N 1 0 428.646 4.830 20 0 IJADRO Fc1cccc2c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164706599 719905567 /nfs/dbraw/zinc/90/55/67/719905567.db2.gz JBWAMBAMVSJCRY-UHFFFAOYSA-N 1 0 431.964 4.960 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805861 720094322 /nfs/dbraw/zinc/09/43/22/720094322.db2.gz AEOLGCVWJNRXIW-KPZWWZAWSA-N 1 0 439.214 4.880 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)C2 ZINC001164819183 720177616 /nfs/dbraw/zinc/17/76/16/720177616.db2.gz WKIZQKFIEGAYPQ-FNZWTVRRSA-N 1 0 448.636 4.851 20 0 IJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723423 720406982 /nfs/dbraw/zinc/40/69/82/720406982.db2.gz GKWHSAVREDLOCK-MSOLQXFVSA-N 1 0 429.351 4.798 20 0 IJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164735064 720438229 /nfs/dbraw/zinc/43/82/29/720438229.db2.gz VMDNBALHRVPUIK-SFTDATJTSA-N 1 0 442.592 4.618 20 0 IJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)s1 ZINC001164726247 720452505 /nfs/dbraw/zinc/45/25/05/720452505.db2.gz BEMXNHPAAGNTHE-FGZHOGPDSA-N 1 0 427.577 4.915 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)cc(Cl)nc3Cl)CC[C@@H]21 ZINC001164832385 720522739 /nfs/dbraw/zinc/52/27/39/720522739.db2.gz AKKGCTGSJYMCMF-YCPHGPKFSA-N 1 0 428.795 4.616 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cc(C(C)(C)C)sc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840718 720523243 /nfs/dbraw/zinc/52/32/43/720523243.db2.gz XIOCNPSYHWVJOG-CMKODMSKSA-N 1 0 438.645 4.563 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)CC[C@@H]21 ZINC001164836388 720546550 /nfs/dbraw/zinc/54/65/50/720546550.db2.gz JWCWSABWOQTFRF-IHPCNDPISA-N 1 0 427.955 4.602 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164844545 720694169 /nfs/dbraw/zinc/69/41/69/720694169.db2.gz TYRPTOVPJRYNAX-QHCPKHFHSA-N 1 0 445.611 4.806 20 0 IJADRO CCc1nc(Cl)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840353 720717521 /nfs/dbraw/zinc/71/75/21/720717521.db2.gz PXNFORHJODFJES-KRWDZBQOSA-N 1 0 435.399 4.606 20 0 IJADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838833 720726754 /nfs/dbraw/zinc/72/67/54/720726754.db2.gz JHKFEYZAPSNNGW-KRWDZBQOSA-N 1 0 435.399 4.606 20 0 IJADRO Clc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755447 720870564 /nfs/dbraw/zinc/87/05/64/720870564.db2.gz WZEXVGQDPBUHCZ-AUSIDOKSSA-N 1 0 447.410 4.539 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC001164861672 720894784 /nfs/dbraw/zinc/89/47/84/720894784.db2.gz YKJSJXUOBLEFSN-DEOSSOPVSA-N 1 0 447.627 4.546 20 0 IJADRO Fc1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754889 720901067 /nfs/dbraw/zinc/90/10/67/720901067.db2.gz JMJMECLKHLKIOH-KCWPFWIISA-N 1 0 446.570 4.524 20 0 IJADRO Fc1ccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164749186 720914577 /nfs/dbraw/zinc/91/45/77/720914577.db2.gz IFYCPUCDQAHCGI-YIXXDRMTSA-N 1 0 446.570 4.524 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccsc3)nc3ccccc31)[C@H]2C ZINC001164858951 721005713 /nfs/dbraw/zinc/00/57/13/721005713.db2.gz JNVFMHXKOPHGIT-KRWDZBQOSA-N 1 0 432.597 4.976 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)[C@H]2C ZINC001164862376 721015158 /nfs/dbraw/zinc/01/51/58/721015158.db2.gz PZNRFIPBWPWLSA-ZDUSSCGKSA-N 1 0 434.922 4.839 20 0 IJADRO COC(=O)c1ccc2nc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)ncc2c1 ZINC001164759092 721042513 /nfs/dbraw/zinc/04/25/13/721042513.db2.gz FZPILAIHPCWKPR-UHFFFAOYSA-N 1 0 444.579 4.607 20 0 IJADRO COC(=O)c1ccc2ncnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c2c1 ZINC001164758710 721042595 /nfs/dbraw/zinc/04/25/95/721042595.db2.gz ARKUFJSATDGTPG-UHFFFAOYSA-N 1 0 444.579 4.607 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164791580 721494779 /nfs/dbraw/zinc/49/47/79/721494779.db2.gz DTGNJNIFUNCRLD-UHFFFAOYSA-N 1 0 438.579 4.901 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164791930 721496069 /nfs/dbraw/zinc/49/60/69/721496069.db2.gz FFROWWNAEBOFFA-UHFFFAOYSA-N 1 0 441.579 4.610 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164799178 721552227 /nfs/dbraw/zinc/55/22/27/721552227.db2.gz BANXTYSBUVTGCE-SGIRGMQISA-N 1 0 434.971 4.665 20 0 IJADRO CSc1nc2sccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908375 721586519 /nfs/dbraw/zinc/58/65/19/721586519.db2.gz YTPWSVNKGVLLSO-FQEVSTJZSA-N 1 0 447.580 4.546 20 0 IJADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906785 721713328 /nfs/dbraw/zinc/71/33/28/721713328.db2.gz OEKQOQGMAOOVMM-LJQANCHMSA-N 1 0 442.888 4.721 20 0 IJADRO 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442.611 4.754 20 0 IJADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951793 722014845 /nfs/dbraw/zinc/01/48/45/722014845.db2.gz DTXWPMUAYGIGBH-UHFFFAOYSA-N 1 0 449.958 4.777 20 0 IJADRO c1ccc(CSc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164962693 722024085 /nfs/dbraw/zinc/02/40/85/722024085.db2.gz QXJGMOYSWQQAAB-UHFFFAOYSA-N 1 0 431.609 4.656 20 0 IJADRO CC(C)(C)OC(=O)Nc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995000 722207350 /nfs/dbraw/zinc/20/73/50/722207350.db2.gz KISIFBOIDFMVGI-XMMPIXPASA-N 1 0 426.536 4.813 20 0 IJADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001164388629 718803380 /nfs/dbraw/zinc/80/33/80/718803380.db2.gz YTYYFKQMAQKOGS-UHFFFAOYSA-N 1 0 449.929 4.846 20 0 IJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CCC12CC[NH2+]CC2 ZINC001164389695 718815413 /nfs/dbraw/zinc/81/54/13/718815413.db2.gz XVYWIFJNCUJNCR-QGZVFWFLSA-N 1 0 446.851 4.853 20 0 IJADRO 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Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164908954 721722731 /nfs/dbraw/zinc/72/27/31/721722731.db2.gz ZWPYDNDOKIFWQT-XMMPIXPASA-N 1 0 435.522 4.585 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001165024205 721810403 /nfs/dbraw/zinc/81/04/03/721810403.db2.gz JPUNRGKIOACKGE-UCNVEGJOSA-N 1 0 426.008 4.531 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@H]21 ZINC001165028934 721819942 /nfs/dbraw/zinc/81/99/42/721819942.db2.gz YCWJJFFDPGKWEX-TUACAJSNSA-N 1 0 448.014 4.853 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]21 ZINC001165028985 721824688 /nfs/dbraw/zinc/82/46/88/721824688.db2.gz WCVLGXZKWNEUHZ-HGHGUNKESA-N 1 0 447.961 4.684 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165027553 721826226 /nfs/dbraw/zinc/82/62/26/721826226.db2.gz SPQKRJDLRWHWMJ-CDNPAEQRSA-N 1 0 433.531 4.540 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)C[C@H]21 ZINC001165025081 721826831 /nfs/dbraw/zinc/82/68/31/721826831.db2.gz LNZZFFRJMAEYBF-NQHRYMMQSA-N 1 0 446.570 4.932 20 0 IJADRO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025342 721830158 /nfs/dbraw/zinc/83/01/58/721830158.db2.gz MUNUAQLNTCLVPZ-GRYUFTJMSA-N 1 0 431.559 4.723 20 0 IJADRO COc1cc2ccnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2cc1F ZINC001165030266 721845205 /nfs/dbraw/zinc/84/52/05/721845205.db2.gz GQCAOQUKGOMSLW-UHFFFAOYSA-N 1 0 439.531 4.501 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4ccnc(Cl)c4F)CC3)C2)cc1 ZINC001164938651 721920994 /nfs/dbraw/zinc/92/09/94/721920994.db2.gz QBABQUZENGSIIM-UHFFFAOYSA-N 1 0 439.909 4.599 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(Cl)nc(Cl)nc4C4CC4)CC3)C2)cc1 ZINC001164943984 721933297 /nfs/dbraw/zinc/93/32/97/721933297.db2.gz QKYXQKXTIHTWCR-UHFFFAOYSA-N 1 0 447.410 4.841 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nnc(-c5cccc(F)c5)cc4C)CC3)C2)cc1 ZINC001164944796 721933360 /nfs/dbraw/zinc/93/33/60/721933360.db2.gz UIYWMKWKYQAIKC-UHFFFAOYSA-N 1 0 446.570 4.771 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164948310 721968061 /nfs/dbraw/zinc/96/80/61/721968061.db2.gz SYGSRHVIEGPIEW-FULLSBAXSA-N 1 0 446.639 4.788 20 0 IJADRO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954169 722013345 /nfs/dbraw/zinc/01/33/45/722013345.db2.gz JNVPKGIIJKUFPQ-UHFFFAOYSA-N 1 0 427.326 4.821 20 0 IJADRO Fc1cccc2c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164963584 722061804 /nfs/dbraw/zinc/06/18/04/722061804.db2.gz BMWZYUHWDSRYRU-UHFFFAOYSA-N 1 0 440.950 4.541 20 0 IJADRO CCOc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000010474979 557221289 /nfs/dbraw/zinc/22/12/89/557221289.db2.gz OKSHXYKYZABFSJ-UHFFFAOYSA-N 1 0 443.135 4.629 20 0 IJADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387304 718802303 /nfs/dbraw/zinc/80/23/03/718802303.db2.gz LZHHSOOKLJCAFK-QGZVFWFLSA-N 1 0 439.673 4.510 20 0 IJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415056 718881532 /nfs/dbraw/zinc/88/15/32/718881532.db2.gz ZVZSVYOYOVDRKM-AEFFLSMTSA-N 1 0 444.860 4.578 20 0 IJADRO Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)c1 ZINC001164430443 718947415 /nfs/dbraw/zinc/94/74/15/718947415.db2.gz VJMULHCSLCSFLK-FXAWDEMLSA-N 1 0 430.861 4.557 20 0 IJADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619637 719044944 /nfs/dbraw/zinc/04/49/44/719044944.db2.gz DEJWWNSFCVFDQA-REWPJTCUSA-N 1 0 440.925 4.925 20 0 IJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164627025 719048154 /nfs/dbraw/zinc/04/81/54/719048154.db2.gz UCVFLEVUHPSXJZ-NKKJXINNSA-N 1 0 438.934 4.508 20 0 IJADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628318 719048180 /nfs/dbraw/zinc/04/81/80/719048180.db2.gz XYPPQMDCAURHEV-DYESRHJHSA-N 1 0 430.886 4.518 20 0 IJADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622263 719048273 /nfs/dbraw/zinc/04/82/73/719048273.db2.gz KMUQRQKPFVCXPQ-NFBKMPQASA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621887 719049189 /nfs/dbraw/zinc/04/91/89/719049189.db2.gz KDDLTPHZLMZLBD-QAPCUYQASA-N 1 0 431.836 4.882 20 0 IJADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CF)CC1 ZINC001164623228 719119599 /nfs/dbraw/zinc/11/95/99/719119599.db2.gz RPNJYLWVQZEALR-RKDXNWHRSA-N 1 0 439.696 4.648 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(-c4cccc(F)c4)cc2C)CC3)cs1 ZINC001164697877 719816492 /nfs/dbraw/zinc/81/64/92/719816492.db2.gz BKZVYGAORDUFEB-UHFFFAOYSA-N 1 0 437.588 4.991 20 0 IJADRO FC(F)c1nc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707932 719899191 /nfs/dbraw/zinc/89/91/91/719899191.db2.gz ZQUDCBQOPMYANV-UHFFFAOYSA-N 1 0 430.524 4.500 20 0 IJADRO CCc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164706315 719899567 /nfs/dbraw/zinc/89/95/67/719899567.db2.gz HNZRJYVOXRENSG-UHFFFAOYSA-N 1 0 434.609 4.639 20 0 IJADRO Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1-c1ccccc1F ZINC001164707546 719906428 /nfs/dbraw/zinc/90/64/28/719906428.db2.gz TXYOJRKFZJRSOZ-UHFFFAOYSA-N 1 0 438.572 4.524 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164710020 720099099 /nfs/dbraw/zinc/09/90/99/720099099.db2.gz FPFIAEOBIQMIEC-QFIPXVFZSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(C)ccc(F)c3cc1C)CC2 ZINC001164716955 720127300 /nfs/dbraw/zinc/12/73/00/720127300.db2.gz MHSRBFXILVKQMB-QFIPXVFZSA-N 1 0 448.586 4.893 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164811089 720133413 /nfs/dbraw/zinc/13/34/13/720133413.db2.gz LIMBKKRJORUWTF-AVRDEDQJSA-N 1 0 435.946 4.618 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164811623 720142051 /nfs/dbraw/zinc/14/20/51/720142051.db2.gz MZNCHWFFQCRWFD-PGRDOPGGSA-N 1 0 435.946 4.618 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164713102 720143448 /nfs/dbraw/zinc/14/34/48/720143448.db2.gz QXHRXWHOXXLAGQ-QHCPKHFHSA-N 1 0 445.611 4.656 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816040 720168040 /nfs/dbraw/zinc/16/80/40/720168040.db2.gz JYNFYLAJYFDAIH-ZBLYBZFDSA-N 1 0 446.570 4.621 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815642 720170812 /nfs/dbraw/zinc/17/08/12/720170812.db2.gz IRKOUCJXFVQXCE-RLWLMLJZSA-N 1 0 448.636 4.851 20 0 IJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723425 720407692 /nfs/dbraw/zinc/40/76/92/720407692.db2.gz GKWHSAVREDLOCK-QZTJIDSGSA-N 1 0 429.351 4.798 20 0 IJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164728561 720432752 /nfs/dbraw/zinc/43/27/52/720432752.db2.gz FRWYCIZYDBAULR-SFTDATJTSA-N 1 0 431.540 4.746 20 0 IJADRO Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)cnc2Cl)c1 ZINC001164734037 720535600 /nfs/dbraw/zinc/53/56/00/720535600.db2.gz GEMVWWAXHPUSMT-KRWDZBQOSA-N 1 0 445.945 4.650 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835853 720543809 /nfs/dbraw/zinc/54/38/09/720543809.db2.gz IOHDDAIDZWYBBN-JTDSTZFVSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164736571 720547783 /nfs/dbraw/zinc/54/77/83/720547783.db2.gz ZNAIKQFEGSHLAM-GFCCVEGCSA-N 1 0 441.872 4.815 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(SCc4ccccc4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841583 720619307 /nfs/dbraw/zinc/61/93/07/720619307.db2.gz TXFZHHRFOHWDJM-SONWIMMPSA-N 1 0 447.652 4.948 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc4cccc(F)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836933 720653040 /nfs/dbraw/zinc/65/30/40/720653040.db2.gz AGMHNKOVZSQODW-WSTZPKSXSA-N 1 0 427.955 4.602 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164838116 720675983 /nfs/dbraw/zinc/67/59/83/720675983.db2.gz FDHOMTNBWRTWMW-QFIPXVFZSA-N 1 0 430.552 4.529 20 0 IJADRO CSc1nc2ccccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844447 720695202 /nfs/dbraw/zinc/69/52/02/720695202.db2.gz SCTNGCLOFNUCSW-HXUWFJFHSA-N 1 0 434.609 4.612 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164836439 720716625 /nfs/dbraw/zinc/71/66/25/720716625.db2.gz AMHWLEGFOFKULU-IBGZPJMESA-N 1 0 438.522 4.827 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164836939 720717345 /nfs/dbraw/zinc/71/73/45/720717345.db2.gz BXZGUGNEVIQQGM-SFHVURJKSA-N 1 0 440.950 4.682 20 0 IJADRO 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ZINC001164791940 721496752 /nfs/dbraw/zinc/49/67/52/721496752.db2.gz FPELVONKOLPOGB-UHFFFAOYSA-N 1 0 437.975 4.568 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164795461 721497634 /nfs/dbraw/zinc/49/76/34/721497634.db2.gz HWDYVUFZKZDGKC-UHFFFAOYSA-N 1 0 433.531 4.684 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccc3)cc(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC001164799179 721552715 /nfs/dbraw/zinc/55/27/15/721552715.db2.gz BANXTYSBUVTGCE-TZBSWOFLSA-N 1 0 434.971 4.665 20 0 IJADRO Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904874 721584844 /nfs/dbraw/zinc/58/48/44/721584844.db2.gz HDNPKAFOWVRYNX-LJQANCHMSA-N 1 0 442.888 4.721 20 0 IJADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2cccs2)n1 ZINC001164910534 721728208 /nfs/dbraw/zinc/72/82/08/721728208.db2.gz FSKMMOCAVZFHSP-JOCHJYFZSA-N 1 0 441.551 4.646 20 0 IJADRO CSc1nc(Cl)cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001165013924 721766913 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/nfs/dbraw/zinc/82/66/71/721826671.db2.gz REZIPZSHENVBEW-GEQKSPFYSA-N 1 0 435.522 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@H]21 ZINC001165025085 721829255 /nfs/dbraw/zinc/82/92/55/721829255.db2.gz LOMPPFWHQVFJLC-NYSBEXSLSA-N 1 0 441.501 4.838 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3sc(C)cc32)CC1 ZINC001165022383 721839843 /nfs/dbraw/zinc/83/98/43/721839843.db2.gz RSEPUQNXXFKVOA-UHFFFAOYSA-N 1 0 447.004 4.771 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5cc(C)ccc54)CC3)C2)cc1 ZINC001164938973 721926682 /nfs/dbraw/zinc/92/66/82/721926682.db2.gz FFSDLBPXEVYHAS-UHFFFAOYSA-N 1 0 436.987 4.771 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC3)C2)cc1 ZINC001164938625 721931727 /nfs/dbraw/zinc/93/17/27/721931727.db2.gz BQHGTSAJSXKWHU-UHFFFAOYSA-N 1 0 442.607 4.940 20 0 IJADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952950 722017899 /nfs/dbraw/zinc/01/78/99/722017899.db2.gz PLUVGRHPRWATDE-UHFFFAOYSA-N 1 0 427.326 4.821 20 0 IJADRO Clc1ccc2c(Cl)nnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164960576 722023268 /nfs/dbraw/zinc/02/32/68/722023268.db2.gz KXINOZUTAFGUBX-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO Fc1ccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963860 722054543 /nfs/dbraw/zinc/05/45/43/722054543.db2.gz OOZWQOCGNGWFTQ-UHFFFAOYSA-N 1 0 440.950 4.541 20 0 IJADRO Cc1cccc2cc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963764 722061822 /nfs/dbraw/zinc/06/18/22/722061822.db2.gz CWKVQESXQDAWHD-UHFFFAOYSA-N 1 0 436.987 4.711 20 0 IJADRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OC)c(Br)c2)cc1 ZINC000020927297 523975231 /nfs/dbraw/zinc/97/52/31/523975231.db2.gz ZKWZHSGUPVNQHX-UHFFFAOYSA-N 1 0 429.152 4.561 20 0 IJADRO CCN1CCC[C@H]1C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022936017 557052617 /nfs/dbraw/zinc/05/26/17/557052617.db2.gz WPWCZTCPVJVLRR-IBGZPJMESA-N 1 0 433.390 4.611 20 0 IJADRO O[C@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019360477 563022535 /nfs/dbraw/zinc/02/25/35/563022535.db2.gz PSBXDOYFPJDNNH-HHHXNRCGSA-N 1 0 430.592 4.534 20 0 IJADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387303 718802278 /nfs/dbraw/zinc/80/22/78/718802278.db2.gz LZHHSOOKLJCAFK-KRWDZBQOSA-N 1 0 439.673 4.510 20 0 IJADRO FC(F)(F)[C@H]1N(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CCC12CC[NH2+]CC2 ZINC001164387122 718815510 /nfs/dbraw/zinc/81/55/10/718815510.db2.gz DATAPXZETQLSDW-KRWDZBQOSA-N 1 0 446.851 4.853 20 0 IJADRO COc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164420500 718893322 /nfs/dbraw/zinc/89/33/22/718893322.db2.gz MFUXOFBUXPPAJD-HXUWFJFHSA-N 1 0 436.934 4.709 20 0 IJADRO Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)cc1 ZINC001164427935 718948590 /nfs/dbraw/zinc/94/85/90/718948590.db2.gz HCWZWEOEGJDZDD-FXAWDEMLSA-N 1 0 430.861 4.557 20 0 IJADRO 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4.870 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164711485 720092245 /nfs/dbraw/zinc/09/22/45/720092245.db2.gz PWCBZXPSYZMVQA-FQEVSTJZSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813631 720161845 /nfs/dbraw/zinc/16/18/45/720161845.db2.gz CWIHYIQDHZKGLZ-FIPFOOKPSA-N 1 0 442.607 4.790 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)C2 ZINC001164813638 720162328 /nfs/dbraw/zinc/16/23/28/720162328.db2.gz CWIHYIQDHZKGLZ-QDPGVEIFSA-N 1 0 442.607 4.790 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001164813709 720170834 /nfs/dbraw/zinc/17/08/34/720170834.db2.gz DRZRZGJHQPJRSA-JIPXPUAJSA-N 1 0 446.570 4.621 20 0 IJADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729092 720359103 /nfs/dbraw/zinc/35/91/03/720359103.db2.gz WPVUWFTZUWCWAF-BJKOFHAPSA-N 1 0 443.501 4.823 20 0 IJADRO 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/nfs/dbraw/zinc/53/56/85/720535685.db2.gz OUWLSIGGSUAXBS-MRXNPFEDSA-N 1 0 437.966 4.722 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3-c3ccccc3)CC[C@@H]21 ZINC001164834668 720540449 /nfs/dbraw/zinc/54/04/49/720540449.db2.gz FRJIHZWWIIEQHI-FUDKSRODSA-N 1 0 436.003 4.976 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)CC[C@@H]21 ZINC001164838454 720574568 /nfs/dbraw/zinc/57/45/68/720574568.db2.gz NWPOSHWPDGQHRU-XFQAVAEZSA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)CC[C@@H]21 ZINC001164837743 720633285 /nfs/dbraw/zinc/63/32/85/720633285.db2.gz JAXSWZZVCUHGAD-FGSXEWAUSA-N 1 0 427.955 4.602 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164845364 720686245 /nfs/dbraw/zinc/68/62/45/720686245.db2.gz YTQGHDFYLSAHNV-GOSISDBHSA-N 1 0 440.950 4.682 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164843897 720688042 /nfs/dbraw/zinc/68/80/42/720688042.db2.gz RSZGRRSEMKOWSN-HXUWFJFHSA-N 1 0 441.019 4.659 20 0 IJADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842653 720699434 /nfs/dbraw/zinc/69/94/34/720699434.db2.gz MDEJHSAAJPBOGR-IBGZPJMESA-N 1 0 435.946 4.848 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847942 720808600 /nfs/dbraw/zinc/80/86/00/720808600.db2.gz BBZCCJLHAKQBIU-LSYYVWMOSA-N 1 0 446.639 4.956 20 0 IJADRO Cc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164749141 720869919 /nfs/dbraw/zinc/86/99/19/720869919.db2.gz HIDKYZIOVMAEMG-LBNVMWSVSA-N 1 0 442.607 4.693 20 0 IJADRO Clc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164752472 720870973 /nfs/dbraw/zinc/87/09/73/720870973.db2.gz NBPGCHAPAAYAQD-AUSIDOKSSA-N 1 0 447.410 4.539 20 0 IJADRO Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754987 720897891 /nfs/dbraw/zinc/89/78/91/720897891.db2.gz KCBDQZBLSJWPMC-LEAFIULHSA-N 1 0 442.607 4.693 20 0 IJADRO Fc1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164754887 720901732 /nfs/dbraw/zinc/90/17/32/720901732.db2.gz JMJMECLKHLKIOH-HOFKKMOUSA-N 1 0 446.570 4.524 20 0 IJADRO CCc1cc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)o1 ZINC001164754660 720934125 /nfs/dbraw/zinc/93/41/25/720934125.db2.gz WVDTVNZRTWVTRF-AMGIVPHBSA-N 1 0 446.595 4.540 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)[C@H]2C ZINC001164858152 721006017 /nfs/dbraw/zinc/00/60/17/721006017.db2.gz IIOBDBRZOJKTCK-HNNXBMFYSA-N 1 0 444.942 4.679 20 0 IJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C(=O)N(C)C)cc4Cl)CC3)CC2)cc1 ZINC001164759986 721046115 /nfs/dbraw/zinc/04/61/15/721046115.db2.gz SPBJICXJWXPBMZ-UHFFFAOYSA-N 1 0 441.019 4.628 20 0 IJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164772959 721289475 /nfs/dbraw/zinc/28/94/75/721289475.db2.gz KVGYTANJEJBXHV-UHFFFAOYSA-N 1 0 431.971 4.781 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775277 721305762 /nfs/dbraw/zinc/30/57/62/721305762.db2.gz URCVBMNHTBWIBE-VPUSJEBWSA-N 1 0 434.628 4.813 20 0 IJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164783233 721457393 /nfs/dbraw/zinc/45/73/93/721457393.db2.gz AITNNDBVRRHVEW-OAQYLSRUSA-N 1 0 444.019 4.622 20 0 IJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164788584 721460514 /nfs/dbraw/zinc/46/05/14/721460514.db2.gz UKYYSBSCPGPZMZ-OAQYLSRUSA-N 1 0 444.019 4.622 20 0 IJADRO CSc1nc2ccsc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791937 721494918 /nfs/dbraw/zinc/49/49/18/721494918.db2.gz FNTRNDNNKOSGDF-UHFFFAOYSA-N 1 0 425.627 4.689 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164796655 721499461 /nfs/dbraw/zinc/49/94/61/721499461.db2.gz UZGMPEJDASGSKP-UHFFFAOYSA-N 1 0 446.599 4.705 20 0 IJADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164794671 721502782 /nfs/dbraw/zinc/50/27/82/721502782.db2.gz CHSCCUAVITYOHH-UHFFFAOYSA-N 1 0 431.559 4.867 20 0 IJADRO Fc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903779 721585670 /nfs/dbraw/zinc/58/56/70/721585670.db2.gz CJMANSADPYUMHH-SFHVURJKSA-N 1 0 446.851 4.552 20 0 IJADRO Fc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907494 721586930 /nfs/dbraw/zinc/58/69/30/721586930.db2.gz UNMAXXBLXPEZFS-SFHVURJKSA-N 1 0 446.851 4.552 20 0 IJADRO Cc1nc2c3ccccc3oc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908938 721713756 /nfs/dbraw/zinc/71/37/56/721713756.db2.gz ZRQNPUFBXRTKTH-XMMPIXPASA-N 1 0 449.505 4.817 20 0 IJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913133 721743174 /nfs/dbraw/zinc/74/31/74/721743174.db2.gz UHEUFQMIRSIHDF-ATIYNZHBSA-N 1 0 446.982 4.888 20 0 IJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764847 /nfs/dbraw/zinc/76/48/47/721764847.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 1 0 445.611 4.811 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]21 ZINC001165024288 721809947 /nfs/dbraw/zinc/80/99/47/721809947.db2.gz KHCBTTIOWVVZBP-MOXGXCLJSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)C[C@@H]21 ZINC001165022621 721812776 /nfs/dbraw/zinc/81/27/76/721812776.db2.gz GFICDSHEWGMXIV-BAGYTPMASA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001165026872 721820835 /nfs/dbraw/zinc/82/08/35/721820835.db2.gz RXQCGFQRZBGEPA-BHIYHBOVSA-N 1 0 445.945 4.893 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]21 ZINC001165021625 721820845 /nfs/dbraw/zinc/82/08/45/721820845.db2.gz FITLEXIIVWUPKB-XFQXTVEOSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)C[C@@H]21 ZINC001165024096 721821183 /nfs/dbraw/zinc/82/11/83/721821183.db2.gz JSUZCEXXUVILGL-ILWGZMRPSA-N 1 0 446.599 4.561 20 0 IJADRO Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165027875 721825833 /nfs/dbraw/zinc/82/58/33/721825833.db2.gz UQCGDONHMIHZTO-PMWMKWCKSA-N 1 0 427.596 4.892 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]21 ZINC001165027443 721828068 /nfs/dbraw/zinc/82/80/68/721828068.db2.gz SDLFMAFFUJNJNB-ONGXBYRLSA-N 1 0 425.939 4.554 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3ccc(F)cc32)CC1 ZINC001165023344 721838587 /nfs/dbraw/zinc/83/85/87/721838587.db2.gz VCVPOMCKARBKPB-UHFFFAOYSA-N 1 0 444.938 4.540 20 0 IJADRO C[NH+](C)[C@H]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)C1 ZINC001165034919 721896117 /nfs/dbraw/zinc/89/61/17/721896117.db2.gz ILFUQFNKNRFOKE-KRWDZBQOSA-N 1 0 441.670 4.936 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5ccc(F)cc54)CC3)C2)cc1 ZINC001164938769 721921908 /nfs/dbraw/zinc/92/19/08/721921908.db2.gz QZKKFLHMTKMEHP-UHFFFAOYSA-N 1 0 440.950 4.602 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1 ZINC001164948313 721968122 /nfs/dbraw/zinc/96/81/22/721968122.db2.gz SYGSRHVIEGPIEW-PBWSGDRGSA-N 1 0 446.639 4.788 20 0 IJADRO Clc1cccc2c1nc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953685 722016431 /nfs/dbraw/zinc/01/64/31/722016431.db2.gz XCNXIWDVKDXXDE-UHFFFAOYSA-N 1 0 428.367 4.824 20 0 IJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956201 722019514 /nfs/dbraw/zinc/01/95/14/722019514.db2.gz XWSOVCWNHIFUJT-UHFFFAOYSA-N 1 0 443.929 4.716 20 0 IJADRO CSc1ccc(Oc2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncn2)cc1 ZINC001164955497 722020722 /nfs/dbraw/zinc/02/07/22/722020722.db2.gz JLAKQAUGGXUUOB-UHFFFAOYSA-N 1 0 447.608 4.878 20 0 IJADRO Fc1cc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1Cl ZINC001164959996 722061374 /nfs/dbraw/zinc/06/13/74/722061374.db2.gz CBNCJTJCLAEIRP-UHFFFAOYSA-N 1 0 440.950 4.541 20 0 IJADRO O=C(Nc1ccccc1)c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995607 722200091 /nfs/dbraw/zinc/20/00/91/722200091.db2.gz OOKLYKVVHOGSOR-AREMUKBSSA-N 1 0 430.527 4.718 20 0 IJADRO COc1cccc(Oc2cncc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n2)c1 ZINC001164994444 722205225 /nfs/dbraw/zinc/20/52/25/722205225.db2.gz HCLAYMNXSWISGA-VWLOTQADSA-N 1 0 434.515 4.662 20 0 IJADRO COc1ccc([C@H](CNC(=O)c2c(C)onc2-c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000012792127 525356102 /nfs/dbraw/zinc/35/61/02/525356102.db2.gz NXIMAMIQTMDJIN-NRFANRHFSA-N 1 0 439.943 4.879 20 0 IJADRO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474358 557221095 /nfs/dbraw/zinc/22/10/95/557221095.db2.gz ACKGZUFAHGPSJY-HNNXBMFYSA-N 1 0 443.179 4.651 20 0 IJADRO FC1(F)C[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164410045 718869980 /nfs/dbraw/zinc/86/99/80/718869980.db2.gz WLLUQHAAKKHHCE-XLIONFOSSA-N 1 0 445.941 4.848 20 0 IJADRO FC1(F)C[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164410047 718870148 /nfs/dbraw/zinc/87/01/48/718870148.db2.gz WLLUQHAAKKHHCE-YLJYHZDGSA-N 1 0 445.941 4.848 20 0 IJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164414762 718881490 /nfs/dbraw/zinc/88/14/90/718881490.db2.gz WWKGVRRRZFPCHV-CQSZACIVSA-N 1 0 436.812 4.588 20 0 IJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001164419756 718893075 /nfs/dbraw/zinc/89/30/75/718893075.db2.gz RAJXWAIBHLIDAY-NRFANRHFSA-N 1 0 435.641 4.778 20 0 IJADRO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164431045 718948481 /nfs/dbraw/zinc/94/84/81/718948481.db2.gz ZRLAQZQYBQWPCR-UZLBHIALSA-N 1 0 430.861 4.557 20 0 IJADRO Fc1ccc2nc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)nc(Cl)c2c1 ZINC001164618295 719045661 /nfs/dbraw/zinc/04/56/61/719045661.db2.gz ALDULYKIKYVVTN-UWJYYQICSA-N 1 0 432.877 4.551 20 0 IJADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622505 719048960 /nfs/dbraw/zinc/04/89/60/719048960.db2.gz KVVHAAHISYJCBL-JTHBVZDNSA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622786 719049047 /nfs/dbraw/zinc/04/90/47/719049047.db2.gz LHISDAVXXDTFHX-GMAHTHKFSA-N 1 0 440.925 4.925 20 0 IJADRO COCc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(-c2ccccc2)n1 ZINC001164693923 719804363 /nfs/dbraw/zinc/80/43/63/719804363.db2.gz VTELXDPVISQWHJ-UHFFFAOYSA-N 1 0 449.624 4.690 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccc(C)cc4nc2Cl)CC3)cs1 ZINC001164694519 719807960 /nfs/dbraw/zinc/80/79/60/719807960.db2.gz ZHBABIOLSVACTM-UHFFFAOYSA-N 1 0 428.005 4.992 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4cccc(C)c42)CC3)cs1 ZINC001164693658 719812060 /nfs/dbraw/zinc/81/20/60/719812060.db2.gz XSDBDCSPRTWOIW-UHFFFAOYSA-N 1 0 428.005 4.992 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4c(F)cccc4F)nn2)CC3)cs1 ZINC001164692649 719814412 /nfs/dbraw/zinc/81/44/12/719814412.db2.gz QPTWYHUPSSNMDZ-UHFFFAOYSA-N 1 0 441.551 4.822 20 0 IJADRO Fc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164700781 719886212 /nfs/dbraw/zinc/88/62/12/719886212.db2.gz LIBHEIMTKHRLMX-UHFFFAOYSA-N 1 0 431.964 4.960 20 0 IJADRO CC(C)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(C(C)(C)C)n1 ZINC001164705893 719901386 /nfs/dbraw/zinc/90/13/86/719901386.db2.gz FGUUKSSHOOVJAR-UHFFFAOYSA-N 1 0 428.646 4.830 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164809936 720104033 /nfs/dbraw/zinc/10/40/33/720104033.db2.gz IUBIQJZENIXVBX-SIKLNZKXSA-N 1 0 435.946 4.618 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3CCCCC3)nc(C)n1)CC2 ZINC001164710821 720136532 /nfs/dbraw/zinc/13/65/32/720136532.db2.gz DDXMEIMOYGFZGC-XMMPIXPASA-N 1 0 449.643 4.735 20 0 IJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)c(Cl)nc3cc(F)cc(F)c31)C2 ZINC001164811369 720197150 /nfs/dbraw/zinc/19/71/50/720197150.db2.gz GSYIWXDZTIVGKS-QMHKHESXSA-N 1 0 435.946 4.660 20 0 IJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164723140 720370856 /nfs/dbraw/zinc/37/08/56/720370856.db2.gz GHBICODWDZFFPY-FCHUYYIVSA-N 1 0 427.577 4.915 20 0 IJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)s1 ZINC001164726254 720452405 /nfs/dbraw/zinc/45/24/05/720452405.db2.gz BEMXNHPAAGNTHE-YADHBBJMSA-N 1 0 427.577 4.915 20 0 IJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164731576 720479079 /nfs/dbraw/zinc/47/90/79/720479079.db2.gz WNQPHKLRFZJFTC-NHCUHLMSSA-N 1 0 435.959 4.733 20 0 IJADRO Cc1csc2c1nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841376 720574840 /nfs/dbraw/zinc/57/48/40/720574840.db2.gz UJVURUJKMXZDDO-OKZBNKHCSA-N 1 0 430.021 4.832 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c(F)cccc34)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837122 720642056 /nfs/dbraw/zinc/64/20/56/720642056.db2.gz HENIMBVGRDKIHO-FUHIMQAGSA-N 1 0 427.955 4.602 20 0 IJADRO 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CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@H]2C ZINC001164862694 720939705 /nfs/dbraw/zinc/93/97/05/720939705.db2.gz XCDKQSVIWOMTMG-LBPRGKRZSA-N 1 0 440.951 4.508 20 0 IJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164858049 721019296 /nfs/dbraw/zinc/01/92/96/721019296.db2.gz FNDRGXZCOVWVGS-QGZVFWFLSA-N 1 0 440.979 4.849 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)[C@@H]2C ZINC001164863756 721019473 /nfs/dbraw/zinc/01/94/73/721019473.db2.gz UXOKDKWRKJEVHX-OAHLLOKOSA-N 1 0 444.942 4.679 20 0 IJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)CC3)CC2)cc1 ZINC001164759532 721047266 /nfs/dbraw/zinc/04/72/66/721047266.db2.gz OECLAXSLMKOSLF-UHFFFAOYSA-N 1 0 435.946 4.709 20 0 IJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)nc1 ZINC001164775273 721305612 /nfs/dbraw/zinc/30/56/12/721305612.db2.gz URCVBMNHTBWIBE-AHKZPQOWSA-N 1 0 434.628 4.813 20 0 IJADRO 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C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21 ZINC001165027373 721831413 /nfs/dbraw/zinc/83/14/13/721831413.db2.gz RZTUSYPYFJVZDQ-DZFGPLHGSA-N 1 0 446.973 4.987 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001165029559 721832340 /nfs/dbraw/zinc/83/23/40/721832340.db2.gz XFKMXYCDMWUPGK-XWFZLUIHSA-N 1 0 446.973 4.901 20 0 IJADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC(C[NH+](C)C)CC4)c23)C1 ZINC001165045320 721949388 /nfs/dbraw/zinc/94/93/88/721949388.db2.gz QGWRXNZCLYUFSA-GOSISDBHSA-N 1 0 441.689 4.580 20 0 IJADRO CC[NH+](CC)C1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC001165053640 722005708 /nfs/dbraw/zinc/00/57/08/722005708.db2.gz QUVCFYITJIMETA-GOSISDBHSA-N 1 0 441.689 4.723 20 0 IJADRO c1ccc(-c2nsc3c2ncnc3N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955255 722022219 /nfs/dbraw/zinc/02/22/19/722022219.db2.gz CDCYYKRMPCALHI-UHFFFAOYSA-N 1 0 442.592 4.641 20 0 IJADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164964241 722024947 /nfs/dbraw/zinc/02/49/47/722024947.db2.gz VYMNDNIPGIIONT-UHFFFAOYSA-N 1 0 432.946 4.656 20 0 IJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(COc4ccccn4)c3C2)nc1 ZINC001164968995 722083112 /nfs/dbraw/zinc/08/31/12/722083112.db2.gz IZQJEOSBNHKMCJ-QFIPXVFZSA-N 1 0 433.556 4.543 20 0 IJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164977178 722153353 /nfs/dbraw/zinc/15/33/53/722153353.db2.gz YERLYOIVPHRXEF-QUCCMNQESA-N 1 0 443.378 4.664 20 0 IJADRO CCCOc1c(Br)cc(Br)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000020967925 520290971 /nfs/dbraw/zinc/29/09/71/520290971.db2.gz NJRRUFSWTWCBIE-OAHLLOKOSA-N 1 0 434.216 4.574 20 0 IJADRO FC(F)(F)[C@H]1N(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CCC12CC[NH2+]CC2 ZINC001164387997 718815583 /nfs/dbraw/zinc/81/55/83/718815583.db2.gz LPOYTSIIFUXAKI-KRWDZBQOSA-N 1 0 446.851 4.853 20 0 IJADRO COc1ccccc1-c1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)nn1 ZINC001164417901 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ZINC001164892662 721473898 /nfs/dbraw/zinc/47/38/98/721473898.db2.gz HIWKVANIYWFYKB-RUZDIDTESA-N 1 0 446.639 4.820 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164791949 721494726 /nfs/dbraw/zinc/49/47/26/721494726.db2.gz GGFYNSNOKVCWNV-UHFFFAOYSA-N 1 0 426.008 4.675 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164796784 721498817 /nfs/dbraw/zinc/49/88/17/721498817.db2.gz XMAPZYYZLNIYEX-UHFFFAOYSA-N 1 0 428.580 4.937 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164794990 721503942 /nfs/dbraw/zinc/50/39/42/721503942.db2.gz HAMZOHDMMMGSKU-UHFFFAOYSA-N 1 0 432.399 4.937 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@@H]2CCCO[C@H]21 ZINC001164802640 721588875 /nfs/dbraw/zinc/58/88/75/721588875.db2.gz HMLPMLVBZIYBPV-DNVFCKCGSA-N 1 0 443.378 4.805 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3ccc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164802647 721588948 /nfs/dbraw/zinc/58/89/48/721588948.db2.gz HMLPMLVBZIYBPV-YYDVJCTNSA-N 1 0 443.378 4.805 20 0 IJADRO Cc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)s1 ZINC001164907426 721696613 /nfs/dbraw/zinc/69/66/13/721696613.db2.gz SLHKPWVIMBMUND-HXUWFJFHSA-N 1 0 449.958 4.786 20 0 IJADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907712 721705941 /nfs/dbraw/zinc/70/59/41/721705941.db2.gz SQCMGQXOHSWGQZ-LJQANCHMSA-N 1 0 442.888 4.721 20 0 IJADRO Fc1cc2ncnc(Cl)c2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907278 721719358 /nfs/dbraw/zinc/71/93/58/721719358.db2.gz QJZVJDDXAOUIND-NRFANRHFSA-N 1 0 447.892 4.555 20 0 IJADRO CCc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909120 721728864 /nfs/dbraw/zinc/72/88/64/721728864.db2.gz BVXFKFRSHFZSQX-RUZDIDTESA-N 1 0 449.549 4.839 20 0 IJADRO CSc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024572 721802840 /nfs/dbraw/zinc/80/28/40/721802840.db2.gz MFCWPQBEIZJTQZ-KFKAGJAMSA-N 1 0 425.627 4.545 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C[C@@H]21 ZINC001165025002 721803557 /nfs/dbraw/zinc/80/35/57/721803557.db2.gz NAGHCNAVMRXERH-WNOPAQSVSA-N 1 0 433.987 4.929 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@H]21 ZINC001165024295 721809973 /nfs/dbraw/zinc/80/99/73/721809973.db2.gz KHCBTTIOWVVZBP-XFQXTVEOSA-N 1 0 425.939 4.554 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165023536 721818910 /nfs/dbraw/zinc/81/89/10/721818910.db2.gz HQCNHWHTDUVSSD-SXSPYAJSSA-N 1 0 433.531 4.540 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)C[C@@H]21 ZINC001165025087 721829240 /nfs/dbraw/zinc/82/92/40/721829240.db2.gz LOMPPFWHQVFJLC-PAXLWEDBSA-N 1 0 441.501 4.838 20 0 IJADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(-c3nc(-c4cccs4)no3)ccn2)c1 ZINC001164937171 721914197 /nfs/dbraw/zinc/91/41/97/721914197.db2.gz IIKPERGHGDFQNJ-CALCHBBNSA-N 1 0 435.578 4.775 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c(C)cccc54)CC3)C2)cc1 ZINC001164939386 721924775 /nfs/dbraw/zinc/92/47/75/721924775.db2.gz LFEJAEZWMDZAGR-UHFFFAOYSA-N 1 0 436.987 4.771 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(-c5cccc(Cl)n5)n4)CC3)C2)cc1 ZINC001164939717 721926534 /nfs/dbraw/zinc/92/65/34/721926534.db2.gz LSPSHHFUIBQVSL-UHFFFAOYSA-N 1 0 448.998 4.977 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(F)F)nc5ccccc54)CC3)C2)cc1 ZINC001164940239 721932126 /nfs/dbraw/zinc/93/21/26/721932126.db2.gz TXCHCVBIWHKWKI-UHFFFAOYSA-N 1 0 438.522 4.747 20 0 IJADRO Clc1ccc(-c2csc3ncnc(N4CC[NH+](CCc5ccccn5)CC4)c23)cc1 ZINC001165055216 722016973 /nfs/dbraw/zinc/01/69/73/722016973.db2.gz MHOLHOHXWIVPSG-UHFFFAOYSA-N 1 0 435.984 4.771 20 0 IJADRO c1sc2nc(C3CC3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1-c1ccccc1 ZINC001165056193 722018567 /nfs/dbraw/zinc/01/85/67/722018567.db2.gz ZMHIYIPLPJVESC-UHFFFAOYSA-N 1 0 441.604 4.995 20 0 IJADRO CSc1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955286 722018934 /nfs/dbraw/zinc/01/89/34/722018934.db2.gz DHTKUZZWEGWLNG-UHFFFAOYSA-N 1 0 438.975 4.889 20 0 IJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001164957968 722023985 /nfs/dbraw/zinc/02/39/85/722023985.db2.gz COBIYYFKLPPNNX-UHFFFAOYSA-N 1 0 442.592 4.641 20 0 IJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164964730 722024869 /nfs/dbraw/zinc/02/48/69/722024869.db2.gz YANTWQFVSXQHHZ-UHFFFAOYSA-N 1 0 440.950 4.923 20 0 IJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983197 722109654 /nfs/dbraw/zinc/10/96/54/722109654.db2.gz YLHGSSUHCGBGBP-HTAPYJJXSA-N 1 0 443.378 4.664 20 0 IJADRO Clc1ccc2ccc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977171 722153225 /nfs/dbraw/zinc/15/32/25/722153225.db2.gz YERLYOIVPHRXEF-AZUAARDMSA-N 1 0 443.378 4.664 20 0 IJADRO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474363 557221140 /nfs/dbraw/zinc/22/11/40/557221140.db2.gz ACKGZUFAHGPSJY-OAHLLOKOSA-N 1 0 443.179 4.651 20 0 IJADRO CC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2nc(C)c[nH]2)c2cccc(F)c2)C(=O)N3)CC1 ZINC000003820435 562938798 /nfs/dbraw/zinc/93/87/98/562938798.db2.gz DMQYDVBIPXAAJA-VHXPQNKSSA-N 1 0 445.542 4.665 20 0 investigational IJADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CCCC[NH2+]5)CC4)c23)C1 ZINC001164386666 718803241 /nfs/dbraw/zinc/80/32/41/718803241.db2.gz CJLRMBYRSAMTCC-SFHVURJKSA-N 1 0 439.673 4.524 20 0 IJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)cnc1Cl ZINC001164389161 718825449 /nfs/dbraw/zinc/82/54/49/718825449.db2.gz GZKUFKXYPPGPEF-IAGOWNOFSA-N 1 0 447.835 4.533 20 0 IJADRO Fc1ccc2nc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)nc(Cl)c2c1 ZINC001164413943 718880218 /nfs/dbraw/zinc/88/02/18/718880218.db2.gz OWFKDVHXILIOOS-CYBMUJFWSA-N 1 0 438.803 4.621 20 0 IJADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415061 718881324 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ZHDRFSJAMSARMH-PXNSSMCTSA-N 1 0 439.922 4.557 20 0 IJADRO Fc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164652608 719297190 /nfs/dbraw/zinc/29/71/90/719297190.db2.gz NQSMFQCQEZVEQY-XUZZJYLKSA-N 1 0 444.982 4.519 20 0 IJADRO Fc1cccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164652610 719297312 /nfs/dbraw/zinc/29/73/12/719297312.db2.gz NQSMFQCQEZVEQY-ZJSXRUAMSA-N 1 0 444.982 4.519 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164716045 720106669 /nfs/dbraw/zinc/10/66/69/720106669.db2.gz ISFFBUGMKRRPNN-RUZDIDTESA-N 1 0 428.580 4.651 20 0 IJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164714880 720111342 /nfs/dbraw/zinc/11/13/42/720111342.db2.gz DACLGSSMUBHLPI-QFIPXVFZSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164718648 720120209 /nfs/dbraw/zinc/12/02/09/720120209.db2.gz UILOXXLNAKHPDH-OAQYLSRUSA-N 1 0 436.987 4.791 20 0 IJADRO 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Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1Cl ZINC001164724431 720472287 /nfs/dbraw/zinc/47/22/87/720472287.db2.gz GGPXPTPQUCUZHE-RTBURBONSA-N 1 0 444.341 4.838 20 0 IJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731973 720476796 /nfs/dbraw/zinc/47/67/96/720476796.db2.gz YHFWMMAPLYIELN-LEWJYISDSA-N 1 0 435.959 4.733 20 0 IJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726269 720476844 /nfs/dbraw/zinc/47/68/44/720476844.db2.gz KYQAVNZZYXTPQY-ROUUACIJSA-N 1 0 442.350 4.824 20 0 IJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726264 720477453 /nfs/dbraw/zinc/47/74/53/720477453.db2.gz KYQAVNZZYXTPQY-MSOLQXFVSA-N 1 0 442.350 4.824 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834444 720507816 /nfs/dbraw/zinc/50/78/16/720507816.db2.gz GNFMXMSOLIVYHX-OXFYSEKESA-N 1 0 445.398 4.511 20 0 IJADRO 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ZINC001164388539 718803391 /nfs/dbraw/zinc/80/33/91/718803391.db2.gz WODJTVMUNQZNSI-UHFFFAOYSA-N 1 0 445.945 4.946 20 0 IJADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CC[C@H]43)n2)CC1 ZINC001164410445 718876177 /nfs/dbraw/zinc/87/61/77/718876177.db2.gz BNCMBVATNVVYFO-QZTJIDSGSA-N 1 0 439.654 4.592 20 0 IJADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)cc1 ZINC001164429320 718947403 /nfs/dbraw/zinc/94/74/03/718947403.db2.gz NSAUUDQSQXTIBY-GHTZIAJQSA-N 1 0 426.898 4.726 20 0 IJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)CC1 ZINC001164618871 719034395 /nfs/dbraw/zinc/03/43/95/719034395.db2.gz ZQYFZGDSDOAFRQ-UHFFFAOYSA-N 1 0 436.383 4.786 20 0 IJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164622318 719047748 /nfs/dbraw/zinc/04/77/48/719047748.db2.gz KMZMZHUCEVSAFN-QFQXNSOFSA-N 1 0 449.668 4.733 20 0 IJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164634914 719263091 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4.791 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)C2 ZINC001164805862 720094522 /nfs/dbraw/zinc/09/45/22/720094522.db2.gz AEOLGCVWJNRXIW-KZULUSFZSA-N 1 0 439.214 4.880 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)C2 ZINC001164815641 720170928 /nfs/dbraw/zinc/17/09/28/720170928.db2.gz IRKOUCJXFVQXCE-QFQXNSOFSA-N 1 0 448.636 4.851 20 0 IJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c23)cc1 ZINC001164728551 720431415 /nfs/dbraw/zinc/43/14/15/720431415.db2.gz FRWYCIZYDBAULR-LEWJYISDSA-N 1 0 431.540 4.746 20 0 IJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164735062 720437343 /nfs/dbraw/zinc/43/73/43/720437343.db2.gz VMDNBALHRVPUIK-NHCUHLMSSA-N 1 0 442.592 4.618 20 0 IJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164734444 720438585 /nfs/dbraw/zinc/43/85/85/720438585.db2.gz SEADDNYLYZEDAG-BJKOFHAPSA-N 1 0 425.511 4.684 20 0 IJADRO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731533 720439703 /nfs/dbraw/zinc/43/97/03/720439703.db2.gz LNOFWKIXMXLGSF-RPWUZVMVSA-N 1 0 425.511 4.684 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cc(C(C)(C)C)sc43)CC[C@@H]21 ZINC001164840715 720523156 /nfs/dbraw/zinc/52/31/56/720523156.db2.gz XIOCNPSYHWVJOG-BJLQDIEVSA-N 1 0 438.645 4.563 20 0 IJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C1 ZINC001164735321 720535872 /nfs/dbraw/zinc/53/58/72/720535872.db2.gz OUWLSIGGSUAXBS-INIZCTEOSA-N 1 0 437.966 4.722 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836361 720541954 /nfs/dbraw/zinc/54/19/54/720541954.db2.gz JRHKXAYIYASIHP-OXFYSEKESA-N 1 0 445.398 4.511 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]21 ZINC001164839931 720650657 /nfs/dbraw/zinc/65/06/57/720650657.db2.gz LCBZBBJRUJFKDY-CUWPLCDZSA-N 1 0 449.977 4.732 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164840485 720688801 /nfs/dbraw/zinc/68/88/01/720688801.db2.gz FJPNGRVWXHVOAE-QGZVFWFLSA-N 1 0 439.909 4.679 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164836910 720720549 /nfs/dbraw/zinc/72/05/49/720720549.db2.gz BSIDVJZUOCSMRH-QFIPXVFZSA-N 1 0 430.552 4.529 20 0 IJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839322 720725674 /nfs/dbraw/zinc/72/56/74/720725674.db2.gz KXKPQIWFZZDSAH-NRFANRHFSA-N 1 0 441.019 4.966 20 0 IJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839326 720726173 /nfs/dbraw/zinc/72/61/73/720726173.db2.gz KXKPQIWFZZDSAH-OAQYLSRUSA-N 1 0 441.019 4.966 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164839609 720726638 /nfs/dbraw/zinc/72/66/38/720726638.db2.gz MDZVKDYWBMUBHH-QHCPKHFHSA-N 1 0 432.543 4.543 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164839772 720728295 /nfs/dbraw/zinc/72/82/95/720728295.db2.gz MVKZTGSHICRQPS-SFHVURJKSA-N 1 0 447.410 4.921 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1 ZINC001164847944 720808434 /nfs/dbraw/zinc/80/84/34/720808434.db2.gz BBZCCJLHAKQBIU-NAKRPHOHSA-N 1 0 446.639 4.956 20 0 IJADRO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164754578 720885481 /nfs/dbraw/zinc/88/54/81/720885481.db2.gz JLVIIDKOWHSCSD-HOFKKMOUSA-N 1 0 446.570 4.524 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3cccc4ccccc43)nn1)[C@H]2C ZINC001164861059 721009935 /nfs/dbraw/zinc/00/99/35/721009935.db2.gz NKZVTZLXVNMHAQ-IBGZPJMESA-N 1 0 426.568 4.915 20 0 IJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164789448 721456146 /nfs/dbraw/zinc/45/61/46/721456146.db2.gz WIJLIQXDYCVMOJ-QFIPXVFZSA-N 1 0 444.019 4.622 20 0 IJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164785584 721459103 /nfs/dbraw/zinc/45/91/03/721459103.db2.gz MFPRVOGKGHBMDH-FQEVSTJZSA-N 1 0 444.019 4.622 20 0 IJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164792134 721491475 /nfs/dbraw/zinc/49/14/75/721491475.db2.gz HDERVJJEJLMEBP-UHFFFAOYSA-N 1 0 425.939 4.698 20 0 IJADRO COc1ccc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164792485 721494636 /nfs/dbraw/zinc/49/46/36/721494636.db2.gz PJMUIJBSYZPEFA-UHFFFAOYSA-N 1 0 436.934 4.565 20 0 IJADRO CSc1nc2ccsc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904839 721700752 /nfs/dbraw/zinc/70/07/52/721700752.db2.gz GVYCATQPQOHSBI-HXUWFJFHSA-N 1 0 447.580 4.546 20 0 IJADRO Cc1cccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164913096 721724213 /nfs/dbraw/zinc/72/42/13/721724213.db2.gz SMYBSUPZXLTNHU-XMMPIXPASA-N 1 0 435.522 4.585 20 0 IJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913136 721743383 /nfs/dbraw/zinc/74/33/83/721743383.db2.gz UHEUFQMIRSIHDF-NVQXNPDNSA-N 1 0 446.982 4.888 20 0 IJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913135 721743537 /nfs/dbraw/zinc/74/35/37/721743537.db2.gz UHEUFQMIRSIHDF-GJZUVCINSA-N 1 0 446.982 4.888 20 0 IJADRO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165028682 721807807 /nfs/dbraw/zinc/80/78/07/721807807.db2.gz ZNUTZNDDZMQPQB-IPELMVKDSA-N 1 0 428.005 4.785 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]21 ZINC001165021624 721820612 /nfs/dbraw/zinc/82/06/12/721820612.db2.gz FITLEXIIVWUPKB-QKYXUNIQSA-N 1 0 425.939 4.554 20 0 IJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029014 721823662 /nfs/dbraw/zinc/82/36/62/721823662.db2.gz WKUSWTIWPJVSKQ-SXLOBPIMSA-N 1 0 428.024 4.868 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(SCc4ccccc4)ncn3)C[C@H]21 ZINC001165027860 721827502 /nfs/dbraw/zinc/82/75/02/721827502.db2.gz UHYXTBCCMLGFJS-GMKZXUHWSA-N 1 0 445.636 4.901 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(SCc4ccccc4)n3)C[C@@H]21 ZINC001165024071 721828903 /nfs/dbraw/zinc/82/89/03/721828903.db2.gz JOQLAUBSULIVHJ-YFNKSVMNSA-N 1 0 445.636 4.901 20 0 IJADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165027500 721829274 /nfs/dbraw/zinc/82/92/74/721829274.db2.gz SIRWKPYXTLAOSF-BVSLBCMMSA-N 1 0 449.002 4.632 20 0 IJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5nc(Cl)cnc5cc4F)CC3)C2)cc1 ZINC001164940731 721932116 /nfs/dbraw/zinc/93/21/16/721932116.db2.gz ZGXNOTWBSGWUSH-UHFFFAOYSA-N 1 0 440.950 4.602 20 0 IJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952453 722014529 /nfs/dbraw/zinc/01/45/29/722014529.db2.gz KZKKYLSOROUZEP-UHFFFAOYSA-N 1 0 443.929 4.716 20 0 IJADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953204 722015736 /nfs/dbraw/zinc/01/57/36/722015736.db2.gz SZOJNRVTJCQKQQ-UHFFFAOYSA-N 1 0 443.929 4.716 20 0 IJADRO Cc1nc2sc3c(c2c(N2CCC4(CC[N@H+](Cc5cccnc5)C4)CC2)n1)CCCC3 ZINC001164955296 722021996 /nfs/dbraw/zinc/02/19/96/722021996.db2.gz DTZVTGSPXJUWQQ-UHFFFAOYSA-N 1 0 433.625 4.766 20 0 IJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955841 722022296 /nfs/dbraw/zinc/02/22/96/722022296.db2.gz OSVRRQFVNLNYDT-UHFFFAOYSA-N 1 0 433.987 4.993 20 0 IJADRO FC(F)(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)C1(c2ccc(Cl)nc2)CC1 ZINC001164964215 722025134 /nfs/dbraw/zinc/02/51/34/722025134.db2.gz VUXGDZINAMMKDX-UHFFFAOYSA-N 1 0 432.946 4.743 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(COc4ccccn4)c3C2)nc1 ZINC001164968994 722083167 /nfs/dbraw/zinc/08/31/67/722083167.db2.gz IZQJEOSBNHKMCJ-JOCHJYFZSA-N 1 0 433.556 4.543 20 0 IJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2CN2CCCC2)C3)c1 ZINC001164996002 722201990 /nfs/dbraw/zinc/20/19/90/722201990.db2.gz RHQCLSFORQSSBL-XMMPIXPASA-N 1 0 428.983 4.715 20 0 IJADRO COC(=O)C[C@H](c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994837 722207033 /nfs/dbraw/zinc/20/70/33/722207033.db2.gz IOGQUKJNIMZPHO-OZXSUGGESA-N 1 0 437.559 4.522 20 0 IJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CCC12CC[NH2+]CC2 ZINC001164387998 718815317 /nfs/dbraw/zinc/81/53/17/718815317.db2.gz LPOYTSIIFUXAKI-QGZVFWFLSA-N 1 0 446.851 4.853 20 0 IJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)cnc1Cl ZINC001164389160 718825291 /nfs/dbraw/zinc/82/52/91/718825291.db2.gz GZKUFKXYPPGPEF-DLBZAZTESA-N 1 0 447.835 4.533 20 0 IJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1C ZINC001164419024 718893064 /nfs/dbraw/zinc/89/30/64/718893064.db2.gz PHHOKDNYIMVGAF-HXUWFJFHSA-N 1 0 427.662 4.653 20 0 IJADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164627934 719048449 /nfs/dbraw/zinc/04/84/49/719048449.db2.gz WSBUNOGUWQPQGI-REWPJTCUSA-N 1 0 440.925 4.925 20 0 IJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621889 719048995 /nfs/dbraw/zinc/04/89/95/719048995.db2.gz KDDLTPHZLMZLBD-YJBOKZPZSA-N 1 0 431.836 4.882 20 0 IJADRO CC(C)c1nc2scc(-c3ccccc3Cl)c2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164666074 719446038 /nfs/dbraw/zinc/44/60/38/719446038.db2.gz BBCFFXNGPUOAIB-ROUUACIJSA-N 1 0 428.989 4.654 20 0 IJADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694385 719806769 /nfs/dbraw/zinc/80/67/69/719806769.db2.gz WSDVJVMOLFASKA-UHFFFAOYSA-N 1 0 449.020 4.620 20 0 IJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2CCCCC4)CC3)cs1 ZINC001164692432 719808040 /nfs/dbraw/zinc/80/80/40/719808040.db2.gz GSKKQKPGIYDHQT-UHFFFAOYSA-N 1 0 432.037 4.799 20 0 IJADRO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695702 719886800 /nfs/dbraw/zinc/88/68/00/719886800.db2.gz RRQUOEVSXLKGSM-UHFFFAOYSA-N 1 0 448.366 4.866 20 0 IJADRO CCN(c1ccccc1)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164707296 719900924 /nfs/dbraw/zinc/90/09/24/719900924.db2.gz OTPMCFNZUJSOHU-UHFFFAOYSA-N 1 0 449.624 4.568 20 0 IJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164719065 720111068 /nfs/dbraw/zinc/11/10/68/720111068.db2.gz VDRYTTRZDCUCAN-OAQYLSRUSA-N 1 0 436.987 4.791 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001164816036 720169484 /nfs/dbraw/zinc/16/94/84/720169484.db2.gz JYNFYLAJYFDAIH-JIPXPUAJSA-N 1 0 446.570 4.621 20 0 IJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164812453 720184024 /nfs/dbraw/zinc/18/40/24/720184024.db2.gz AUMHPAYAUFSQAT-DENIHFKCSA-N 1 0 435.946 4.618 20 0 IJADRO Clc1cccc(-c2nc3c(c(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725831 720462226 /nfs/dbraw/zinc/46/22/26/720462226.db2.gz BDMNUZQCPHLWBI-DNQXCXABSA-N 1 0 445.998 4.924 20 0 IJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726769 720477461 /nfs/dbraw/zinc/47/74/61/720477461.db2.gz LXGTYVJMLXNEGV-VQTJNVASSA-N 1 0 435.959 4.733 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841279 720507041 /nfs/dbraw/zinc/50/70/41/720507041.db2.gz YAJOMZOVLFZKSX-HFSMHLIXSA-N 1 0 427.955 4.602 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838067 720541682 /nfs/dbraw/zinc/54/16/82/720541682.db2.gz NTNVMYRJPWWLKU-HLLBOEOZSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@@H]21 ZINC001164838069 720541760 /nfs/dbraw/zinc/54/17/60/720541760.db2.gz NTNVMYRJPWWLKU-VYDXJSESSA-N 1 0 444.357 4.508 20 0 IJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164834996 720542094 /nfs/dbraw/zinc/54/20/94/720542094.db2.gz GNGBMXNGWNLCDN-VABKMULXSA-N 1 0 436.003 4.976 20 0 IJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838071 720542695 /nfs/dbraw/zinc/54/26/95/720542695.db2.gz NTNVMYRJPWWLKU-YQQAZPJKSA-N 1 0 444.357 4.508 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164839156 720673851 /nfs/dbraw/zinc/67/38/51/720673851.db2.gz IVQPMTQAKRUUEM-QGZVFWFLSA-N 1 0 428.989 4.605 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164840261 720709241 /nfs/dbraw/zinc/70/92/41/720709241.db2.gz OJLMYWZUEYWFIE-RUZDIDTESA-N 1 0 443.591 4.921 20 0 IJADRO Cc1cccc(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164836465 720712183 /nfs/dbraw/zinc/71/21/83/720712183.db2.gz BAIFERUFKKKLKP-DEOSSOPVSA-N 1 0 428.580 4.712 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164838823 720719087 /nfs/dbraw/zinc/71/90/87/720719087.db2.gz JGUVTQOBWWTCFD-NRFANRHFSA-N 1 0 432.543 4.543 20 0 IJADRO COc1cc2ccnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1F ZINC001164836941 720726437 /nfs/dbraw/zinc/72/64/37/720726437.db2.gz BZXFPRQBEFETHC-NRFANRHFSA-N 1 0 435.543 4.642 20 0 IJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164841657 720726603 /nfs/dbraw/zinc/72/66/03/720726603.db2.gz VHXUDGHXRIPDMU-HXUWFJFHSA-N 1 0 438.572 4.604 20 0 IJADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840304 720726727 /nfs/dbraw/zinc/72/67/27/720726727.db2.gz OUIPJUOHNYVUTK-DEOSSOPVSA-N 1 0 446.570 4.851 20 0 IJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837506 720729380 /nfs/dbraw/zinc/72/93/80/720729380.db2.gz NJQZXHCKSKLHGF-FPOVZHCZSA-N 1 0 433.600 4.731 20 0 IJADRO Fc1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755392 720891598 /nfs/dbraw/zinc/89/15/98/720891598.db2.gz LUYZDQCYZYXCAW-KCWPFWIISA-N 1 0 446.570 4.524 20 0 IJADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164756941 720892105 /nfs/dbraw/zinc/89/21/05/720892105.db2.gz SLEBRYLKDOEZHF-CUNXSJBXSA-N 1 0 446.570 4.524 20 0 IJADRO Cc1nc2sc3c(c2c(N2CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]2C)n1)CCCCC3 ZINC001164858055 721003448 /nfs/dbraw/zinc/00/34/48/721003448.db2.gz GQMYZWWKHLSCJX-INIZCTEOSA-N 1 0 438.645 4.887 20 0 IJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)[C@H]2C ZINC001164862270 721010633 /nfs/dbraw/zinc/01/06/33/721010633.db2.gz PTUYITOZIKVPFC-HNNXBMFYSA-N 1 0 428.943 4.554 20 0 IJADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864592 721018526 /nfs/dbraw/zinc/01/85/26/721018526.db2.gz YIMXKXXRJHMAQH-KRWDZBQOSA-N 1 0 440.979 4.849 20 0 IJADRO CCOCc1cnc(Cl)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759488 721045217 /nfs/dbraw/zinc/04/52/17/721045217.db2.gz NELTYMSFKSBXFA-UHFFFAOYSA-N 1 0 429.008 4.858 20 0 IJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)nc1 ZINC001164878770 721251805 /nfs/dbraw/zinc/25/18/05/721251805.db2.gz VNNXWEBQAWZADJ-NGSHPTGOSA-N 1 0 436.600 4.619 20 0 IJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164801522 721544864 /nfs/dbraw/zinc/54/48/64/721544864.db2.gz FNRZAIRRSZIVHN-XKCSPQBFSA-N 1 0 443.378 4.805 20 0 IJADRO Cc1c(Cl)cnc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906597 721720504 /nfs/dbraw/zinc/72/05/04/721720504.db2.gz NCICCJLMNGRBHA-LJQANCHMSA-N 1 0 427.326 4.830 20 0 IJADRO Cc1ccc(C)c(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164912808 721727386 /nfs/dbraw/zinc/72/73/86/721727386.db2.gz QHMXHIZQKFQGSH-VWLOTQADSA-N 1 0 449.549 4.893 20 0 IJADRO FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912814 721728525 /nfs/dbraw/zinc/72/85/25/721728525.db2.gz QLLRMGXIAVXEMY-JOCHJYFZSA-N 1 0 445.464 4.700 20 0 IJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913837 721737708 /nfs/dbraw/zinc/73/77/08/721737708.db2.gz YUWKQUCMOOSQTI-NRFANRHFSA-N 1 0 447.892 4.555 20 0 IJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001164913134 721743195 /nfs/dbraw/zinc/74/31/95/721743195.db2.gz UHEUFQMIRSIHDF-BKMJKUGQSA-N 1 0 446.982 4.888 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)C[C@@H]21 ZINC001165026446 721809298 /nfs/dbraw/zinc/80/92/98/721809298.db2.gz QJHMHIXAAIRFQV-IVZHQMGZSA-N 1 0 443.929 4.693 20 0 IJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165023537 721819127 /nfs/dbraw/zinc/81/91/27/721819127.db2.gz HQCNHWHTDUVSSD-YFXJRYMSSA-N 1 0 433.531 4.540 20 0 IJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029016 721823369 /nfs/dbraw/zinc/82/33/69/721823369.db2.gz WKUSWTIWPJVSKQ-YSIASYRMSA-N 1 0 428.024 4.868 20 0 IJADRO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1-c1ccccc1F ZINC001165025201 721830709 /nfs/dbraw/zinc/83/07/09/721830709.db2.gz MELMUVQBGNVJLW-NGYIFUPDSA-N 1 0 431.559 4.723 20 0 IJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3cccc(C)c3)nn2)CC1 ZINC001165021223 721843471 /nfs/dbraw/zinc/84/34/71/721843471.db2.gz IJFMCSZOVQNDMA-UHFFFAOYSA-N 1 0 432.568 4.570 20 0 IJADRO CC[NH+](CC)C1CCN(c2ncc(F)c(-c3cc4c(nc(C)n4C(C)C)c(F)c3)n2)CC1 ZINC001165052709 722002979 /nfs/dbraw/zinc/00/29/79/722002979.db2.gz CYZSWUROMQVVDB-UHFFFAOYSA-N 1 0 442.558 4.971 20 0 IJADRO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c23)C1 ZINC001164951790 722016859 /nfs/dbraw/zinc/01/68/59/722016859.db2.gz DSWYRBZSHXVDCS-SFHVURJKSA-N 1 0 433.625 4.704 20 0 IJADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955899 722022691 /nfs/dbraw/zinc/02/26/91/722022691.db2.gz RSBKOSXVCPMOOP-UHFFFAOYSA-N 1 0 437.950 4.824 20 0 IJADRO Cc1c(Cl)ccc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc21 ZINC001164961532 722058814 /nfs/dbraw/zinc/05/88/14/722058814.db2.gz LJWVCXFSHWDIGS-UHFFFAOYSA-N 1 0 436.987 4.711 20 0 IJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983201 722109833 /nfs/dbraw/zinc/10/98/33/722109833.db2.gz YLHGSSUHCGBGBP-VGOFRKELSA-N 1 0 443.378 4.664 20 0 IJADRO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977468 722116368 /nfs/dbraw/zinc/11/63/68/722116368.db2.gz NHZZIXXUKPSJQR-GMAHTHKFSA-N 1 0 434.971 4.524 20 0 IJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977182 722153281 /nfs/dbraw/zinc/15/32/81/722153281.db2.gz YERLYOIVPHRXEF-UYAOXDASSA-N 1 0 443.378 4.664 20 0 IJADRO OCCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000040744184 527537772 /nfs/dbraw/zinc/53/77/72/527537772.db2.gz XKYIHJNKDDHVIL-UHFFFAOYSA-N 1 0 443.179 4.653 20 0 IJADRO