smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCC2)CCS1 ZINC001359747452 1064328209 /nfs/dbraw/zinc/32/82/09/1064328209.db2.gz BQSJJJBSKSLOJX-QHCPKHFHSA-N 1 0 452.672 4.661 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)CCS1 ZINC001359748121 1064332542 /nfs/dbraw/zinc/33/25/42/1064332542.db2.gz OYVSTNPUERFNMJ-HSZRJFAPSA-N 1 0 452.672 4.659 20 30 JJEDRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+](C)C2CCCCC2)CCS1 ZINC001359755380 1064348433 /nfs/dbraw/zinc/34/84/33/1064348433.db2.gz ZAFRLKZABVFGFJ-VWLOTQADSA-N 1 0 496.725 4.961 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001359765601 1064388319 /nfs/dbraw/zinc/38/83/19/1064388319.db2.gz ZFMLORBWDWHXFK-SJORKVTESA-N 1 0 473.046 4.518 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001359765902 1064389563 /nfs/dbraw/zinc/38/95/63/1064389563.db2.gz DOJICBCMTSXFKE-RXFWQSSRSA-N 1 0 480.588 4.535 20 30 JJEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001434978156 1064393672 /nfs/dbraw/zinc/39/36/72/1064393672.db2.gz PRSURNOILAGEGA-CHHVJCJISA-N 1 0 457.530 4.951 20 30 JJEDRO CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001359771697 1064405936 /nfs/dbraw/zinc/40/59/36/1064405936.db2.gz BIWGOXLFOFQOCP-IRLDBZIGSA-N 1 0 452.647 4.577 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)[NH+](C)C ZINC001359772072 1064407147 /nfs/dbraw/zinc/40/71/47/1064407147.db2.gz IZMSBBIRFUMOBW-OZTAZYLFSA-N 1 0 464.658 4.720 20 30 JJEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001435064805 1064484301 /nfs/dbraw/zinc/48/43/01/1064484301.db2.gz QKZRHQOLWUFANE-UHFFFAOYSA-N 1 0 453.464 4.972 20 30 JJEDRO CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435188234 1064577194 /nfs/dbraw/zinc/57/71/94/1064577194.db2.gz BZNPLBMHPQKNFP-QHCPKHFHSA-N 1 0 452.558 4.644 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001359947731 1064697156 /nfs/dbraw/zinc/69/71/56/1064697156.db2.gz NZOYRAATFSMGKZ-NRFANRHFSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001359947625 1064697240 /nfs/dbraw/zinc/69/72/40/1064697240.db2.gz BWBIBRALHNDDTE-UHFFFAOYSA-N 1 0 482.648 4.884 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360007710 1064795816 /nfs/dbraw/zinc/79/58/16/1064795816.db2.gz GIUIQAYMJGDPOX-OALUTQOASA-N 1 0 460.573 4.653 20 30 JJEDRO CC(C)n1c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2nc1C(F)(F)F ZINC001360035114 1064840160 /nfs/dbraw/zinc/84/01/60/1064840160.db2.gz IUBAEOPFNAPYHC-UHFFFAOYSA-N 1 0 457.500 4.712 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001360035999 1064842247 /nfs/dbraw/zinc/84/22/47/1064842247.db2.gz ZBTRKPVIQFXFLQ-UHFFFAOYSA-N 1 0 454.290 4.544 20 30 JJEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCCC2)CC1 ZINC001360095338 1064969173 /nfs/dbraw/zinc/96/91/73/1064969173.db2.gz FXTJRTBDWNWGPZ-UHFFFAOYSA-N 1 0 462.642 4.786 20 30 JJEDRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC001360126466 1065020282 /nfs/dbraw/zinc/02/02/82/1065020282.db2.gz RKJSSJITCRYMCH-UHFFFAOYSA-N 1 0 483.680 4.713 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001360129375 1065025293 /nfs/dbraw/zinc/02/52/93/1065025293.db2.gz VORFGRGPMYZZGI-AREMUKBSSA-N 1 0 480.588 4.678 20 30 JJEDRO C[NH+](C)CCCOc1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC001360339469 1065188233 /nfs/dbraw/zinc/18/82/33/1065188233.db2.gz DNLSHUKAPHBBDX-UHFFFAOYSA-N 1 0 455.002 4.787 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360469655 1065385278 /nfs/dbraw/zinc/38/52/78/1065385278.db2.gz FYMMQRZRAYACTD-QGZVFWFLSA-N 1 0 477.440 4.635 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360470138 1065386820 /nfs/dbraw/zinc/38/68/20/1065386820.db2.gz LXCXSMNBCSUXQG-QGZVFWFLSA-N 1 0 459.436 4.568 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360470902 1065389709 /nfs/dbraw/zinc/38/97/09/1065389709.db2.gz XDYBMKIYBVBTBE-MAUKXSAKSA-N 1 0 460.554 4.649 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001360471633 1065391717 /nfs/dbraw/zinc/39/17/17/1065391717.db2.gz LJTDEOCCCZNDQP-SJLPKXTDSA-N 1 0 456.019 4.630 20 30 JJEDRO C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001436641145 1065412911 /nfs/dbraw/zinc/41/29/11/1065412911.db2.gz CDRFAOPQPDCUAJ-UHFFFAOYSA-N 1 0 458.400 4.797 20 30 JJEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505004 1065438301 /nfs/dbraw/zinc/43/83/01/1065438301.db2.gz GJPULDAQPVXPMY-URXFXBBRSA-N 1 0 464.658 4.865 20 30 JJEDRO C[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCCC1 ZINC001360505950 1065443192 /nfs/dbraw/zinc/44/31/92/1065443192.db2.gz YFSRDKXDNNDPSR-ZWKOTPCHSA-N 1 0 459.436 4.710 20 30 JJEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C[NH+]1CCCC1 ZINC001360595293 1065606665 /nfs/dbraw/zinc/60/66/65/1065606665.db2.gz YYEDTHYLQOYVOA-OAQYLSRUSA-N 1 0 464.658 4.518 20 30 JJEDRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001360596732 1065610535 /nfs/dbraw/zinc/61/05/35/1065610535.db2.gz GIHHVONTMJIILP-RTWAWAEBSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001360644919 1065719525 /nfs/dbraw/zinc/71/95/25/1065719525.db2.gz DOLOCQWLUVIFEZ-BMWKMAGWSA-N 1 0 482.648 4.768 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001360644921 1065719965 /nfs/dbraw/zinc/71/99/65/1065719965.db2.gz DOLOCQWLUVIFEZ-UOTIDGTBSA-N 1 0 482.648 4.768 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001360644922 1065720035 /nfs/dbraw/zinc/72/00/35/1065720035.db2.gz DOLOCQWLUVIFEZ-VDAPTWHUSA-N 1 0 482.648 4.768 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001360646921 1065722598 /nfs/dbraw/zinc/72/25/98/1065722598.db2.gz TWKCAAUVPFDALP-NRFANRHFSA-N 1 0 457.626 4.523 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360741526 1065775561 /nfs/dbraw/zinc/77/55/61/1065775561.db2.gz PZWDAUHPHVKISF-WOJBJXKFSA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360744007 1065781235 /nfs/dbraw/zinc/78/12/35/1065781235.db2.gz MVLCIUUFVYPVCM-RTWAWAEBSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360745914 1065787014 /nfs/dbraw/zinc/78/70/14/1065787014.db2.gz QHIGQLSKTNURIU-HCYUJWNOSA-N 1 0 466.561 4.583 20 30 JJEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 ZINC001439131181 1065791132 /nfs/dbraw/zinc/79/11/32/1065791132.db2.gz PRFUUSTWXPTJDU-UHFFFAOYSA-N 1 0 455.558 4.762 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360770002 1065863928 /nfs/dbraw/zinc/86/39/28/1065863928.db2.gz RHUJUQNXCSCEHG-RNHFSVANSA-N 1 0 472.584 4.654 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360770003 1065864119 /nfs/dbraw/zinc/86/41/19/1065864119.db2.gz RHUJUQNXCSCEHG-ZYLNGJIFSA-N 1 0 472.584 4.654 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360775507 1065878063 /nfs/dbraw/zinc/87/80/63/1065878063.db2.gz VPGDQBCIJFYDPB-WSNOQYBDSA-N 1 0 468.621 4.808 20 30 JJEDRO CC1(C#N)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC[NH+]2CCCC2)CC1 ZINC001360789262 1065904012 /nfs/dbraw/zinc/90/40/12/1065904012.db2.gz YLCQMKKHLNMETK-UHFFFAOYSA-N 1 0 491.865 4.977 20 30 JJEDRO CC1(C#N)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360790848 1065905641 /nfs/dbraw/zinc/90/56/41/1065905641.db2.gz JLGLDMXLALZQAY-UHFFFAOYSA-N 1 0 456.585 4.543 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360851102 1065963340 /nfs/dbraw/zinc/96/33/40/1065963340.db2.gz AYNQMLUZWBFKQX-UHFFFAOYSA-N 1 0 483.458 4.960 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](c2cccs2)[NH+](C)C)c1C ZINC001360866885 1065990210 /nfs/dbraw/zinc/99/02/10/1065990210.db2.gz ZEZYIMBNGQLNSM-WMQCIHAUSA-N 1 0 466.655 4.995 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360869576 1065998703 /nfs/dbraw/zinc/99/87/03/1065998703.db2.gz ITBBJFCRFJHMNN-NFBKMPQASA-N 1 0 464.658 4.897 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001442925563 1066241852 /nfs/dbraw/zinc/24/18/52/1066241852.db2.gz BIFOYAXWKRNJFG-NRFANRHFSA-N 1 0 450.023 4.571 20 30 JJEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443012376 1066252845 /nfs/dbraw/zinc/25/28/45/1066252845.db2.gz OCCBBWJYKCLYFC-UHFFFAOYSA-N 1 0 458.537 4.664 20 30 JJEDRO Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361049346 1066281233 /nfs/dbraw/zinc/28/12/33/1066281233.db2.gz ANDJEXOGFKUQHB-IDISGSTGSA-N 1 0 459.642 4.908 20 30 JJEDRO Cc1cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC001443358569 1066301013 /nfs/dbraw/zinc/30/10/13/1066301013.db2.gz OXZGPIDNKYAHNY-UHFFFAOYSA-N 1 0 455.606 4.517 20 30 JJEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C(C)C ZINC001443422123 1066309625 /nfs/dbraw/zinc/30/96/25/1066309625.db2.gz FEVBZMQAFWNLJD-SFHVURJKSA-N 1 0 458.238 4.569 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001361089559 1066336943 /nfs/dbraw/zinc/33/69/43/1066336943.db2.gz XFYTUAZMPZWFFC-QFIPXVFZSA-N 1 0 485.076 4.722 20 30 JJEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001443809836 1066370621 /nfs/dbraw/zinc/37/06/21/1066370621.db2.gz ZGSFQWTYLUUIBD-AREMUKBSSA-N 1 0 454.574 4.659 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361152249 1066445907 /nfs/dbraw/zinc/44/59/07/1066445907.db2.gz JUBUYFDMHQCMBS-DHIUTWEWSA-N 1 0 478.685 4.972 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361155323 1066453813 /nfs/dbraw/zinc/45/38/13/1066453813.db2.gz SBNTZIIAEGZNAX-BERHBOFZSA-N 1 0 482.648 4.674 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361156314 1066458107 /nfs/dbraw/zinc/45/81/07/1066458107.db2.gz SGPMXHAYZIEGRW-HOFKKMOUSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361156316 1066458963 /nfs/dbraw/zinc/45/89/63/1066458963.db2.gz SGPMXHAYZIEGRW-WNCULLNHSA-N 1 0 464.658 4.724 20 30 JJEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001361176286 1066494527 /nfs/dbraw/zinc/49/45/27/1066494527.db2.gz LRZJBFNGUCNUQW-UHFFFAOYSA-N 1 0 457.496 4.900 20 30 JJEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC001444741965 1066500170 /nfs/dbraw/zinc/50/01/70/1066500170.db2.gz HPDNZAFRHLUSHA-UHFFFAOYSA-N 1 0 455.558 4.546 20 30 JJEDRO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001456651003 1066658694 /nfs/dbraw/zinc/65/86/94/1066658694.db2.gz RFTMYUBXOCZRTF-LOSJGSFVSA-N 1 0 475.633 4.584 20 30 JJEDRO CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492613164 1066675646 /nfs/dbraw/zinc/67/56/46/1066675646.db2.gz JGHNKDJPNNCDAG-ZRZAMGCNSA-N 1 0 462.642 4.643 20 30 JJEDRO CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001492613162 1066675649 /nfs/dbraw/zinc/67/56/49/1066675649.db2.gz JGHNKDJPNNCDAG-DHIUTWEWSA-N 1 0 462.642 4.643 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001449271982 1066994636 /nfs/dbraw/zinc/99/46/36/1066994636.db2.gz ZESZXSIWNCATJD-MOPGFXCFSA-N 1 0 458.430 4.875 20 30 JJEDRO CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001546012949 1066996612 /nfs/dbraw/zinc/99/66/12/1066996612.db2.gz RNWIUDXGOFSLJC-RBBKRZOGSA-N 1 0 452.647 4.625 20 30 JJEDRO CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001546012948 1066996694 /nfs/dbraw/zinc/99/66/94/1066996694.db2.gz RNWIUDXGOFSLJC-IRLDBZIGSA-N 1 0 452.647 4.625 20 30 JJEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC001545753154 1067029257 /nfs/dbraw/zinc/02/92/57/1067029257.db2.gz KUCOPZYJZQFYBM-XZOQPEGZSA-N 1 0 453.970 4.502 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545804837 1067116891 /nfs/dbraw/zinc/11/68/91/1067116891.db2.gz CKXAPHGHHGPBKW-AVRDEDQJSA-N 1 0 456.610 4.664 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545805576 1067120131 /nfs/dbraw/zinc/12/01/31/1067120131.db2.gz PFHUDBIWSVIKMS-LJQANCHMSA-N 1 0 476.467 4.532 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC001545807590 1067127080 /nfs/dbraw/zinc/12/70/80/1067127080.db2.gz KXRYVTKHQKQUTG-JTSKRJEESA-N 1 0 493.483 4.985 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001545808411 1067128661 /nfs/dbraw/zinc/12/86/61/1067128661.db2.gz YBSCROVNUXRUPI-FOIQADDNSA-N 1 0 479.442 4.809 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545807893 1067129636 /nfs/dbraw/zinc/12/96/36/1067129636.db2.gz PFAZAKSTDZDPQA-BYXVTNLJSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807889 1067129655 /nfs/dbraw/zinc/12/96/55/1067129655.db2.gz PEMAXDUIYUSEFW-WNCULLNHSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545808031 1067131155 /nfs/dbraw/zinc/13/11/55/1067131155.db2.gz RAYFPOXRRDFFTH-DQEYMECFSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545808315 1067133553 /nfs/dbraw/zinc/13/35/53/1067133553.db2.gz WPYFRCSTSJMHNP-PKTZIBPZSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001545808454 1067134336 /nfs/dbraw/zinc/13/43/36/1067134336.db2.gz ZBGKXWMJEVBSEV-FGZHOGPDSA-N 1 0 496.656 4.908 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545820011 1067156593 /nfs/dbraw/zinc/15/65/93/1067156593.db2.gz PZQCEVKURBONSI-SHQCIBLASA-N 1 0 461.658 4.847 20 30 JJEDRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001545820166 1067158031 /nfs/dbraw/zinc/15/80/31/1067158031.db2.gz RZZYLQIBFWHVFI-SANMLTNESA-N 1 0 495.691 4.715 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nc(-c4ccccc4)ccc3C#N)CC2)cc1 ZINC001458946934 1067205310 /nfs/dbraw/zinc/20/53/10/1067205310.db2.gz VRRIEYYQFFQPEJ-UHFFFAOYSA-N 1 0 456.615 4.755 20 30 JJEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C#N ZINC001459394850 1067312792 /nfs/dbraw/zinc/31/27/92/1067312792.db2.gz ZSHIDTDJKKBAIU-UHFFFAOYSA-N 1 0 453.590 4.993 20 30 JJEDRO CC[C@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC001459588666 1067358153 /nfs/dbraw/zinc/35/81/53/1067358153.db2.gz WBSYGUBLDOJXEU-AREMUKBSSA-N 1 0 455.606 4.673 20 30 JJEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC001459588672 1067358384 /nfs/dbraw/zinc/35/83/84/1067358384.db2.gz WBSYGUBLDOJXEU-SANMLTNESA-N 1 0 455.606 4.673 20 30 JJEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459905199 1067482428 /nfs/dbraw/zinc/48/24/28/1067482428.db2.gz YYXUEUIZGKOPIQ-TZIWHRDSSA-N 1 0 450.652 4.670 20 30 JJEDRO CC(C)(C)OC(=O)NCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC001459912487 1067487328 /nfs/dbraw/zinc/48/73/28/1067487328.db2.gz KVAQSVWBLGUNBW-UHFFFAOYSA-N 1 0 456.974 4.567 20 30 JJEDRO COc1cc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001459931370 1067496319 /nfs/dbraw/zinc/49/63/19/1067496319.db2.gz NXCHIJSLWATXRX-XMMPIXPASA-N 1 0 454.530 4.911 20 30 JJEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)s1 ZINC001460073652 1067546752 /nfs/dbraw/zinc/54/67/52/1067546752.db2.gz PGDFGVHPKACCBF-FQEVSTJZSA-N 1 0 459.059 4.719 20 30 JJEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC ZINC001460107973 1067556552 /nfs/dbraw/zinc/55/65/52/1067556552.db2.gz FXBPBMDFUFRSIS-WBVHZDCISA-N 1 0 469.390 4.770 20 30 JJEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001460313618 1067605401 /nfs/dbraw/zinc/60/54/01/1067605401.db2.gz DVFMPXAFFRGUOO-FQEVSTJZSA-N 1 0 451.014 4.917 20 30 JJEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC001460978873 1067756023 /nfs/dbraw/zinc/75/60/23/1067756023.db2.gz FCCUJQXFGQLOTH-AUSIDOKSSA-N 1 0 462.512 4.537 20 30 JJEDRO O=C1[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1ccccc1C(F)(F)F ZINC001461439111 1067856828 /nfs/dbraw/zinc/85/68/28/1067856828.db2.gz OLAKDKWRKKLNPK-OAHLLOKOSA-N 1 0 450.354 4.681 20 30 JJEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(Br)ccc3OC(F)F)CC2)c1 ZINC001461608758 1067900741 /nfs/dbraw/zinc/90/07/41/1067900741.db2.gz ZCCRYZWOHOSMDB-UHFFFAOYSA-N 1 0 450.327 4.676 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OCC ZINC001461620187 1067902848 /nfs/dbraw/zinc/90/28/48/1067902848.db2.gz JDGWPZVEEQIKBT-INIZCTEOSA-N 1 0 455.393 4.512 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1OCC ZINC001461654364 1067910905 /nfs/dbraw/zinc/91/09/05/1067910905.db2.gz FOQUWHFNAUJRKH-HNNXBMFYSA-N 1 0 457.409 4.758 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OCC ZINC001461767711 1067933013 /nfs/dbraw/zinc/93/30/13/1067933013.db2.gz POLHGLICWRKYDG-CRAIPNDOSA-N 1 0 469.420 4.758 20 30 JJEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181795 1068023846 /nfs/dbraw/zinc/02/38/46/1068023846.db2.gz BMZXDMALCKRMIW-HNNXBMFYSA-N 1 0 452.356 4.690 20 30 JJEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1=O ZINC001462216807 1068030910 /nfs/dbraw/zinc/03/09/10/1068030910.db2.gz ROEOKPFGMKDAIP-DQBMGFJSSA-N 1 0 452.396 4.775 20 30 JJEDRO CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463835940 1068541738 /nfs/dbraw/zinc/54/17/38/1068541738.db2.gz GZECLOBHLHPJRU-OUKQBFOZSA-N 1 0 454.574 4.643 20 30 JJEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)cc1 ZINC001464573440 1068787254 /nfs/dbraw/zinc/78/72/54/1068787254.db2.gz KACIALHDRFDVLP-UHFFFAOYSA-N 1 0 454.574 4.952 20 30 JJEDRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC2)CC1 ZINC001164618032 719035949 /nfs/dbraw/zinc/03/59/49/719035949.db2.gz RDUAALVJNZYPOO-UHFFFAOYSA-N 1 0 461.393 4.657 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164709971 720096426 /nfs/dbraw/zinc/09/64/26/720096426.db2.gz DPLZXZFGDCCXPD-QGZVFWFLSA-N 1 0 496.389 4.707 20 30 JJEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164734105 720548763 /nfs/dbraw/zinc/54/87/63/720548763.db2.gz UQYKVZQRONDEFV-SFHVURJKSA-N 1 0 475.971 4.730 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755748 720878438 /nfs/dbraw/zinc/87/84/38/720878438.db2.gz YRPFFZMUMXFGGZ-NLFFAJNJSA-N 1 0 486.447 4.719 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763296 721143135 /nfs/dbraw/zinc/14/31/35/721143135.db2.gz FASRWQVVNIMUTC-IRLDBZIGSA-N 1 0 454.603 4.527 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763300 721144765 /nfs/dbraw/zinc/14/47/65/721144765.db2.gz FASRWQVVNIMUTC-RBBKRZOGSA-N 1 0 454.603 4.527 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759747 721247002 /nfs/dbraw/zinc/24/70/02/721247002.db2.gz BIZXIOOSIDNXGK-LEWJYISDSA-N 1 0 482.966 4.510 20 30 JJEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164793427 721490532 /nfs/dbraw/zinc/49/05/32/721490532.db2.gz SGJKOQGVYJLDFO-RUZDIDTESA-N 1 0 452.606 4.717 20 30 JJEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913072 721735647 /nfs/dbraw/zinc/73/56/47/721735647.db2.gz RZFILWRRHVLXBD-DEOSSOPVSA-N 1 0 496.949 4.927 20 30 JJEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911212 721735858 /nfs/dbraw/zinc/73/58/58/721735858.db2.gz IQPBETIVMNCPRT-XMMPIXPASA-N 1 0 496.949 4.927 20 30 JJEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913073 721736297 /nfs/dbraw/zinc/73/62/97/721736297.db2.gz RZFILWRRHVLXBD-XMMPIXPASA-N 1 0 496.949 4.927 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]21 ZINC001165028052 721801242 /nfs/dbraw/zinc/80/12/42/721801242.db2.gz YBHNKZJRCPUMBH-DKSSEZFCSA-N 1 0 466.363 4.937 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001165028055 721801258 /nfs/dbraw/zinc/80/12/58/721801258.db2.gz YBHNKZJRCPUMBH-LSBZLQRGSA-N 1 0 466.363 4.937 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165026587 721802346 /nfs/dbraw/zinc/80/23/46/721802346.db2.gz RJBHIQOKUPGPKS-IXPOFIJOSA-N 1 0 452.606 4.572 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@@H]21 ZINC001165023194 721830569 /nfs/dbraw/zinc/83/05/69/721830569.db2.gz IGTRGCNVQDNBMX-WTIAFYNJSA-N 1 0 474.996 4.926 20 30 JJEDRO CN(Cc1ccc(C#N)cc1)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165018345 721837191 /nfs/dbraw/zinc/83/71/91/721837191.db2.gz XPYLAMPEMWEXKS-UHFFFAOYSA-N 1 0 472.976 4.905 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)CC3)C2)cc1 ZINC001164940947 721926816 /nfs/dbraw/zinc/92/68/16/721926816.db2.gz XCJYBGJHWHVUCM-UHFFFAOYSA-N 1 0 491.998 4.988 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359712470 1064261012 /nfs/dbraw/zinc/26/10/12/1064261012.db2.gz UGJHWJIYQBQWTN-DQEYMECFSA-N 1 0 478.685 4.827 20 30 JJEDRO CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359716882 1064265714 /nfs/dbraw/zinc/26/57/14/1064265714.db2.gz YZYVBBRXRNFEJB-JOCHJYFZSA-N 1 0 484.073 4.618 20 30 JJEDRO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359733464 1064291270 /nfs/dbraw/zinc/29/12/70/1064291270.db2.gz YYBAMFYXQSHCAG-QPPBQGQZSA-N 1 0 478.666 4.966 20 30 JJEDRO CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001359745220 1064318092 /nfs/dbraw/zinc/31/80/92/1064318092.db2.gz CUUOKIIRVICRKN-JOCHJYFZSA-N 1 0 464.658 4.866 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359747757 1064330231 /nfs/dbraw/zinc/33/02/31/1064330231.db2.gz HXLFCKRSTHYMFC-FYYLOGMGSA-N 1 0 452.672 4.515 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001359765899 1064389622 /nfs/dbraw/zinc/38/96/22/1064389622.db2.gz DOJICBCMTSXFKE-FNZWTVRRSA-N 1 0 480.588 4.535 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)[NH+](C)C ZINC001359772069 1064407308 /nfs/dbraw/zinc/40/73/08/1064407308.db2.gz IZMSBBIRFUMOBW-CLOIUZTFSA-N 1 0 464.658 4.720 20 30 JJEDRO CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359795992 1064455561 /nfs/dbraw/zinc/45/55/61/1064455561.db2.gz RPMFHNJKJOJNLG-VXKWHMMOSA-N 1 0 476.669 4.530 20 30 JJEDRO CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359921790 1064649238 /nfs/dbraw/zinc/64/92/38/1064649238.db2.gz UNVVLFDMKVYNGG-QFQXNSOFSA-N 1 0 452.647 4.722 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001359947720 1064697300 /nfs/dbraw/zinc/69/73/00/1064697300.db2.gz NSJUDALWCGHCIZ-RUZDIDTESA-N 1 0 478.685 4.729 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001359947911 1064698620 /nfs/dbraw/zinc/69/86/20/1064698620.db2.gz GRHDIEQDYAYPDY-UHFFFAOYSA-N 1 0 459.642 4.705 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435336420 1064707349 /nfs/dbraw/zinc/70/73/49/1064707349.db2.gz AKKJIGATXFUCBQ-KXBFYZLASA-N 1 0 450.073 4.865 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435336409 1064707558 /nfs/dbraw/zinc/70/75/58/1064707558.db2.gz AKKJIGATXFUCBQ-BEFAXECRSA-N 1 0 450.073 4.865 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360007714 1064795885 /nfs/dbraw/zinc/79/58/85/1064795885.db2.gz GIUIQAYMJGDPOX-RTBURBONSA-N 1 0 460.573 4.653 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC001360008315 1064797650 /nfs/dbraw/zinc/79/76/50/1064797650.db2.gz PINDIMVUGFZFHD-HSZRJFAPSA-N 1 0 464.658 4.689 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)C1 ZINC001360012071 1064807067 /nfs/dbraw/zinc/80/70/67/1064807067.db2.gz LYVPJZMQHXKVQL-JOCHJYFZSA-N 1 0 452.647 4.579 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C#N)CC1)C(C)C ZINC001360123365 1065014269 /nfs/dbraw/zinc/01/42/69/1065014269.db2.gz GCNGQWDPMCEMBO-UHFFFAOYSA-N 1 0 473.463 4.956 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001360123572 1065014865 /nfs/dbraw/zinc/01/48/65/1065014865.db2.gz JTQFFQYPLYNDNC-QFIPXVFZSA-N 1 0 495.416 4.798 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001360124005 1065015701 /nfs/dbraw/zinc/01/57/01/1065015701.db2.gz SMUIPSJVJFBEPO-JOCHJYFZSA-N 1 0 477.426 4.658 20 30 JJEDRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC001360125634 1065018166 /nfs/dbraw/zinc/01/81/66/1065018166.db2.gz QQRTXKGCMJTYMP-SANMLTNESA-N 1 0 493.700 4.617 20 30 JJEDRO CC(C)[NH+](CCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)C(C)C ZINC001360126412 1065020324 /nfs/dbraw/zinc/02/03/24/1065020324.db2.gz QDNDICIBODAHNL-OAQYLSRUSA-N 1 0 468.556 4.846 20 30 JJEDRO CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C ZINC001360135278 1065031719 /nfs/dbraw/zinc/03/17/19/1065031719.db2.gz UPKWFQVIFMQGAF-QFIPXVFZSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1)C(C)C ZINC001360137560 1065033504 /nfs/dbraw/zinc/03/35/04/1065033504.db2.gz UKGQOMJSEQNAJL-JWQCQUIFSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CC2CC2)C1 ZINC001360140479 1065037514 /nfs/dbraw/zinc/03/75/14/1065037514.db2.gz FFDFRAALWKSBOY-PKTZIBPZSA-N 1 0 499.704 4.601 20 30 JJEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001360309469 1065145232 /nfs/dbraw/zinc/14/52/32/1065145232.db2.gz DPDMFZWXLIHPNO-UHFFFAOYSA-N 1 0 476.625 4.634 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360409957 1065273786 /nfs/dbraw/zinc/27/37/86/1065273786.db2.gz ZABULWVQOLXUFU-YADHBBJMSA-N 1 0 490.574 4.657 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001360469864 1065385944 /nfs/dbraw/zinc/38/59/44/1065385944.db2.gz IPXCMRJSCWKZLU-OAHLLOKOSA-N 1 0 465.827 4.585 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360470901 1065389683 /nfs/dbraw/zinc/38/96/83/1065389683.db2.gz XDYBMKIYBVBTBE-CRAIPNDOSA-N 1 0 460.554 4.649 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001360471112 1065390931 /nfs/dbraw/zinc/39/09/31/1065390931.db2.gz BCTZOVPQEBZQGL-SFHVURJKSA-N 1 0 461.452 4.955 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001360481398 1065401329 /nfs/dbraw/zinc/40/13/29/1065401329.db2.gz PZAUMZUAYDVTBR-FQEVSTJZSA-N 1 0 452.647 4.767 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360482921 1065403005 /nfs/dbraw/zinc/40/30/05/1065403005.db2.gz NJFKQQVYMKVMID-KMRPREKFSA-N 1 0 478.685 4.846 20 30 JJEDRO C[C@H](CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC001360505206 1065439991 /nfs/dbraw/zinc/43/99/91/1065439991.db2.gz JYUQCNPYMQKNQB-QGZVFWFLSA-N 1 0 489.437 4.851 20 30 JJEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001360505430 1065440753 /nfs/dbraw/zinc/44/07/53/1065440753.db2.gz OEFRANHAYMPFJQ-ZCNNSNEGSA-N 1 0 456.585 4.809 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505591 1065441580 /nfs/dbraw/zinc/44/15/80/1065441580.db2.gz QYAQBRAXIPOLDV-IRXDYDNUSA-N 1 0 477.426 4.850 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360505948 1065443027 /nfs/dbraw/zinc/44/30/27/1065443027.db2.gz YFSRDKXDNNDPSR-QZTJIDSGSA-N 1 0 459.436 4.710 20 30 JJEDRO C[C@@H](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360510590 1065454727 /nfs/dbraw/zinc/45/47/27/1065454727.db2.gz OACMTKSMJLHAIJ-GAJHUEQPSA-N 1 0 495.430 4.870 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC001360583900 1065582474 /nfs/dbraw/zinc/58/24/74/1065582474.db2.gz MWMSWNVFLKZHIH-MRXNPFEDSA-N 1 0 471.030 4.563 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC001360594642 1065604946 /nfs/dbraw/zinc/60/49/46/1065604946.db2.gz PZFHEXNSLHAFQU-KRWDZBQOSA-N 1 0 489.437 4.709 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360744005 1065781134 /nfs/dbraw/zinc/78/11/34/1065781134.db2.gz MVLCIUUFVYPVCM-LEWJYISDSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360744902 1065783167 /nfs/dbraw/zinc/78/31/67/1065783167.db2.gz CTMKMKBHMAMTEX-FQRUVTKNSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC[NH+]1CCCCC1 ZINC001360757770 1065820659 /nfs/dbraw/zinc/82/06/59/1065820659.db2.gz HVQSNAFMQPNCEF-LJQANCHMSA-N 1 0 457.022 4.687 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC[NH+]1CCCCC1 ZINC001360757769 1065820808 /nfs/dbraw/zinc/82/08/08/1065820808.db2.gz HVQSNAFMQPNCEF-IBGZPJMESA-N 1 0 457.022 4.687 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360770000 1065864018 /nfs/dbraw/zinc/86/40/18/1065864018.db2.gz RHUJUQNXCSCEHG-OHUGHZGNSA-N 1 0 472.584 4.654 20 30 JJEDRO C[C@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001360785288 1065899096 /nfs/dbraw/zinc/89/90/96/1065899096.db2.gz SPZBJZNDICKXRO-RUZDIDTESA-N 1 0 456.585 4.543 20 30 JJEDRO C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001360788077 1065902168 /nfs/dbraw/zinc/90/21/68/1065902168.db2.gz KQQIHZLPWYULND-HSZRJFAPSA-N 1 0 475.424 4.556 20 30 JJEDRO CC(C)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC001360790578 1065905413 /nfs/dbraw/zinc/90/54/13/1065905413.db2.gz BWSPKPWAVPHRJX-UHFFFAOYSA-N 1 0 455.050 4.917 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001360808256 1065920695 /nfs/dbraw/zinc/92/06/95/1065920695.db2.gz IJKXUVWEVHXRGC-QFIPXVFZSA-N 1 0 465.404 4.816 20 30 JJEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001441357413 1066033714 /nfs/dbraw/zinc/03/37/14/1066033714.db2.gz SXHXDEOPOTVCGL-OAQYLSRUSA-N 1 0 453.590 4.727 20 30 JJEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001441659905 1066058625 /nfs/dbraw/zinc/05/86/25/1066058625.db2.gz UEVDCSIFVHDZGM-UHFFFAOYSA-N 1 0 459.775 4.659 20 30 JJEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454122683 1066248737 /nfs/dbraw/zinc/24/87/37/1066248737.db2.gz UFUSPSDJNNFODO-DHIUTWEWSA-N 1 0 455.643 4.655 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001361089558 1066336804 /nfs/dbraw/zinc/33/68/04/1066336804.db2.gz XFYTUAZMPZWFFC-JOCHJYFZSA-N 1 0 485.076 4.722 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([NH+](C)C)CCCC1 ZINC001361089563 1066336845 /nfs/dbraw/zinc/33/68/45/1066336845.db2.gz XJMRMJFIIPZGFV-XMMPIXPASA-N 1 0 489.039 4.568 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1([NH+](C)C)CCCC1 ZINC001361089562 1066336920 /nfs/dbraw/zinc/33/69/20/1066336920.db2.gz XJMRMJFIIPZGFV-DEOSSOPVSA-N 1 0 489.039 4.568 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001361175537 1066492693 /nfs/dbraw/zinc/49/26/93/1066492693.db2.gz QNYMAUKCVFXZMJ-CEXWTWQISA-N 1 0 487.490 4.980 20 30 JJEDRO N#CCOc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001456285744 1066555203 /nfs/dbraw/zinc/55/52/03/1066555203.db2.gz LQOXUVVZFPRIPL-IZZNHLLZSA-N 1 0 459.977 4.774 20 30 JJEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H](C)O1 ZINC001445344745 1066560479 /nfs/dbraw/zinc/56/04/79/1066560479.db2.gz FVZFHKLMIKFTII-ZIAGYGMSSA-N 1 0 458.418 4.595 20 30 JJEDRO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361249824 1066594432 /nfs/dbraw/zinc/59/44/32/1066594432.db2.gz GWWZIIAUWPPXTK-KDURUIRLSA-N 1 0 478.666 4.711 20 30 JJEDRO N#CCSc1ccccc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001446824492 1066744970 /nfs/dbraw/zinc/74/49/70/1066744970.db2.gz NJIPXDMRZMVPTO-UHFFFAOYSA-N 1 0 456.615 4.919 20 30 JJEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001447566875 1066823242 /nfs/dbraw/zinc/82/32/42/1066823242.db2.gz HNSOTZYMFPNRQE-UHFFFAOYSA-N 1 0 455.558 4.519 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC001449158334 1066985990 /nfs/dbraw/zinc/98/59/90/1066985990.db2.gz IEBAWZNJLQECIV-INIZCTEOSA-N 1 0 458.480 4.954 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001449271989 1066994538 /nfs/dbraw/zinc/99/45/38/1066994538.db2.gz ZESZXSIWNCATJD-OALUTQOASA-N 1 0 458.430 4.875 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545804838 1067116919 /nfs/dbraw/zinc/11/69/19/1067116919.db2.gz CKXAPHGHHGPBKW-GCJKJVERSA-N 1 0 456.610 4.664 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545807382 1067125551 /nfs/dbraw/zinc/12/55/51/1067125551.db2.gz HESIBOWFJWPVQL-VWLOTQADSA-N 1 0 491.709 4.567 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545807851 1067128721 /nfs/dbraw/zinc/12/87/21/1067128721.db2.gz OYCJODWQOAONDQ-RUZDIDTESA-N 1 0 462.642 4.500 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807887 1067129467 /nfs/dbraw/zinc/12/94/67/1067129467.db2.gz PEMAXDUIYUSEFW-HOFKKMOUSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001545808412 1067129583 /nfs/dbraw/zinc/12/95/83/1067129583.db2.gz YBSCROVNUXRUPI-MGPUTAFESA-N 1 0 479.442 4.809 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001545808453 1067134483 /nfs/dbraw/zinc/13/44/83/1067134483.db2.gz ZBGKXWMJEVBSEV-FCHUYYIVSA-N 1 0 496.656 4.908 20 30 JJEDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 ZINC001453143305 1067283091 /nfs/dbraw/zinc/28/30/91/1067283091.db2.gz KJYUZJFUYYOSKX-UHFFFAOYSA-N 1 0 459.521 4.893 20 30 JJEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C(C)(C)C)cc1 ZINC001459744342 1067403406 /nfs/dbraw/zinc/40/34/06/1067403406.db2.gz AJZTUGLKVSDLSG-UHFFFAOYSA-N 1 0 456.608 4.827 20 30 JJEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748448 1067404960 /nfs/dbraw/zinc/40/49/60/1067404960.db2.gz LNBWSLIBCKIDQD-BJKOFHAPSA-N 1 0 450.627 4.879 20 30 JJEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@]3(CO)CCc4ccccc43)sc2C1 ZINC001459785265 1067421643 /nfs/dbraw/zinc/42/16/43/1067421643.db2.gz HIBQBWFKEGIAIU-WXTAPIANSA-N 1 0 451.636 4.523 20 30 JJEDRO CCCCc1ccc([C@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847489 1067453100 /nfs/dbraw/zinc/45/31/00/1067453100.db2.gz ZVUFDWBATQEYGJ-JYFHCDHNSA-N 1 0 452.668 4.786 20 30 JJEDRO CCCCc1ccc([C@@H]([NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847488 1067453150 /nfs/dbraw/zinc/45/31/50/1067453150.db2.gz ZVUFDWBATQEYGJ-BVAGGSTKSA-N 1 0 452.668 4.786 20 30 JJEDRO C[C@@](Cc1cccc(Br)c1)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001459851803 1067457232 /nfs/dbraw/zinc/45/72/32/1067457232.db2.gz NLHQYUAKJCGJLL-PKTZIBPZSA-N 1 0 457.412 4.568 20 30 JJEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459905198 1067482389 /nfs/dbraw/zinc/48/23/89/1067482389.db2.gz YYXUEUIZGKOPIQ-PZJWPPBQSA-N 1 0 450.652 4.670 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC001460003404 1067522781 /nfs/dbraw/zinc/52/27/81/1067522781.db2.gz PXWVDCLGICOMEU-GOSISDBHSA-N 1 0 452.624 4.956 20 30 JJEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001460313625 1067605313 /nfs/dbraw/zinc/60/53/13/1067605313.db2.gz DVFMPXAFFRGUOO-HXUWFJFHSA-N 1 0 451.014 4.917 20 30 JJEDRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 ZINC001460870705 1067739089 /nfs/dbraw/zinc/73/90/89/1067739089.db2.gz QNCJBNCYIVDAJQ-SANMLTNESA-N 1 0 450.966 4.883 20 30 JJEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC001460941639 1067751514 /nfs/dbraw/zinc/75/15/14/1067751514.db2.gz SLKBJGZURWATMV-QIRMHMFVSA-N 1 0 450.579 4.944 20 30 JJEDRO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccc(Br)c1C#N ZINC001461057897 1067771787 /nfs/dbraw/zinc/77/17/87/1067771787.db2.gz RJPAPTWERQLXFB-FCHUYYIVSA-N 1 0 475.390 4.879 20 30 JJEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001461064071 1067773866 /nfs/dbraw/zinc/77/38/66/1067773866.db2.gz FCWLOYNPVANSFI-FQEVSTJZSA-N 1 0 458.528 4.548 20 30 JJEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(c4cccc(C(F)(F)F)c4)CCOCC3)CC2)cc1 ZINC001461104126 1067782771 /nfs/dbraw/zinc/78/27/71/1067782771.db2.gz BFXYHMMTJJRBJW-UHFFFAOYSA-N 1 0 457.540 4.879 20 30 JJEDRO CCCCOc1c(Cl)cc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1OC ZINC001461246628 1067809018 /nfs/dbraw/zinc/80/90/18/1067809018.db2.gz RZQOITPWHIEETE-UHFFFAOYSA-N 1 0 455.986 4.794 20 30 JJEDRO C[C@](CO)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1cccc(Br)c1 ZINC001461822128 1067942172 /nfs/dbraw/zinc/94/21/72/1067942172.db2.gz YEIKRNSVEQBLIZ-XMMPIXPASA-N 1 0 451.364 4.897 20 30 JJEDRO Cc1cc(Br)cc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1OC(F)F ZINC001462593382 1068107576 /nfs/dbraw/zinc/10/75/76/1068107576.db2.gz HYEBBWHQWAXFPC-QGZVFWFLSA-N 1 0 451.315 4.702 20 30 JJEDRO Cc1cc(Br)cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1OC(F)F ZINC001462593380 1068107682 /nfs/dbraw/zinc/10/76/82/1068107682.db2.gz HYEBBWHQWAXFPC-KRWDZBQOSA-N 1 0 451.315 4.702 20 30 JJEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001462948791 1068225662 /nfs/dbraw/zinc/22/56/62/1068225662.db2.gz VNQNXMKPIPPCFF-UHFFFAOYSA-N 1 0 454.423 4.592 20 30 JJEDRO C=CCOc1cccc(NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463390280 1068381805 /nfs/dbraw/zinc/38/18/05/1068381805.db2.gz IFQITIIUZNKEDY-IZZNHLLZSA-N 1 0 466.578 4.800 20 30 JJEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001463837481 1068542440 /nfs/dbraw/zinc/54/24/40/1068542440.db2.gz XQRHTZKXYKZPNI-VWLOTQADSA-N 1 0 455.599 4.543 20 30 JJEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC001464662392 1068816018 /nfs/dbraw/zinc/81/60/18/1068816018.db2.gz DWGJLCLPJDZFAA-UHFFFAOYSA-N 1 0 453.586 4.918 20 30 JJEDRO C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@H]2CC ZINC001164703603 719824633 /nfs/dbraw/zinc/82/46/33/719824633.db2.gz WIVSFOJOVFSLRB-NZQKXSOJSA-N 1 0 464.988 4.583 20 30 JJEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1F ZINC001164698462 719892912 /nfs/dbraw/zinc/89/29/12/719892912.db2.gz ULWYLKSQIYJLMR-UHFFFAOYSA-N 1 0 484.000 4.741 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164714837 720145639 /nfs/dbraw/zinc/14/56/39/720145639.db2.gz ZSGKGQIFWXJODB-MHZLTWQESA-N 1 0 497.643 4.629 20 30 JJEDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164734170 720548633 /nfs/dbraw/zinc/54/86/33/720548633.db2.gz XFLWCEUJJBFAFC-SFHVURJKSA-N 1 0 475.971 4.730 20 30 JJEDRO N#Cc1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2cc(-c3ccccc3)sc21 ZINC001164728887 720567331 /nfs/dbraw/zinc/56/73/31/720567331.db2.gz PFFCITXXAJMPGZ-UHFFFAOYSA-N 1 0 454.603 4.690 20 30 JJEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839878 720653551 /nfs/dbraw/zinc/65/35/51/720653551.db2.gz KMARIWWRVMWQEM-NJNPRVFISA-N 1 0 466.992 4.782 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844257 720663508 /nfs/dbraw/zinc/66/35/08/720663508.db2.gz ZLKYQALIXQPMEA-UIOOFZCWSA-N 1 0 467.617 4.700 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164841576 720715680 /nfs/dbraw/zinc/71/56/80/720715680.db2.gz UNOMYURREBYZCP-MHZLTWQESA-N 1 0 482.628 4.987 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748998 720873188 /nfs/dbraw/zinc/87/31/88/720873188.db2.gz GBAWAIHTJJEQAG-VIZCGCQYSA-N 1 0 497.618 4.909 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753715 720908648 /nfs/dbraw/zinc/90/86/48/720908648.db2.gz SEBIWWZOWPRZRD-DWACAAAGSA-N 1 0 488.035 4.910 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164750772 720936102 /nfs/dbraw/zinc/93/61/02/720936102.db2.gz KMNQQHHJFJMIKS-PDDLMNHVSA-N 1 0 485.676 4.717 20 30 JJEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760610 721046138 /nfs/dbraw/zinc/04/61/38/721046138.db2.gz XYRRDZHNIOAENX-HSZRJFAPSA-N 1 0 483.616 4.601 20 30 JJEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780730 721376985 /nfs/dbraw/zinc/37/69/85/721376985.db2.gz IJFFRYKUFYXCNY-AREMUKBSSA-N 1 0 480.012 4.792 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164793428 721490660 /nfs/dbraw/zinc/49/06/60/721490660.db2.gz SGJKOQGVYJLDFO-VWLOTQADSA-N 1 0 452.606 4.717 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906614 721568023 /nfs/dbraw/zinc/56/80/23/721568023.db2.gz KIEOTSMSPMRTCP-FPOVZHCZSA-N 1 0 499.924 4.695 20 30 JJEDRO COc1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(C#N)c(Cl)n1 ZINC001165014777 721767680 /nfs/dbraw/zinc/76/76/80/721767680.db2.gz ISYNLUHRFXEMRQ-UHFFFAOYSA-N 1 0 455.852 4.672 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001165024211 721813513 /nfs/dbraw/zinc/81/35/13/721813513.db2.gz JULWGOLWWKTLRU-QATBIIFWSA-N 1 0 476.987 4.940 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001165029054 721825249 /nfs/dbraw/zinc/82/52/49/721825249.db2.gz WSGBAYMJDSNRBO-FQLPYIGMSA-N 1 0 467.617 4.859 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001165031207 721845126 /nfs/dbraw/zinc/84/51/26/721845126.db2.gz YBGLHBMZXMTTOG-UHFFFAOYSA-N 1 0 493.995 4.912 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)CC3)C2)cc1 ZINC001164942719 721933052 /nfs/dbraw/zinc/93/30/52/721933052.db2.gz MQAQWDHBNMWZIM-UHFFFAOYSA-N 1 0 490.007 4.974 20 30 JJEDRO N#C[C@H](c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047376 721975906 /nfs/dbraw/zinc/97/59/06/721975906.db2.gz FUGXYNCZOWZBJC-PXDATVDWSA-N 1 0 489.645 4.513 20 30 JJEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001165053083 722005290 /nfs/dbraw/zinc/00/52/90/722005290.db2.gz HTXRAECRLUPENP-HSZRJFAPSA-N 1 0 498.052 4.632 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359712473 1064260988 /nfs/dbraw/zinc/26/09/88/1064260988.db2.gz UGJHWJIYQBQWTN-RPBOFIJWSA-N 1 0 478.685 4.827 20 30 JJEDRO CC(C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001359716201 1064264759 /nfs/dbraw/zinc/26/47/59/1064264759.db2.gz YUNGIZGPLLXIKO-UHFFFAOYSA-N 1 0 488.684 4.657 20 30 JJEDRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2Cl)CC1 ZINC001434885454 1064317574 /nfs/dbraw/zinc/31/75/74/1064317574.db2.gz WFPWAOMASISFER-XMMPIXPASA-N 1 0 455.002 4.786 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1)[NH+](C)C ZINC001359766054 1064390188 /nfs/dbraw/zinc/39/01/88/1064390188.db2.gz HLFUQPVLSMGZLV-QHCPKHFHSA-N 1 0 464.658 4.721 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001359767059 1064396007 /nfs/dbraw/zinc/39/60/07/1064396007.db2.gz ZWLUYWCOWCTCSV-NRFANRHFSA-N 1 0 462.564 4.962 20 30 JJEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001435063801 1064482632 /nfs/dbraw/zinc/48/26/32/1064482632.db2.gz LQMUCRNCYKYOHP-UHFFFAOYSA-N 1 0 453.464 4.972 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817386 1064500017 /nfs/dbraw/zinc/50/00/17/1064500017.db2.gz CGVZKMBPWDGYRE-FCHUYYIVSA-N 1 0 464.658 4.516 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359850548 1064537188 /nfs/dbraw/zinc/53/71/88/1064537188.db2.gz XIGXIBCEDJLPPY-RUZDIDTESA-N 1 0 498.119 4.839 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359926948 1064661976 /nfs/dbraw/zinc/66/19/76/1064661976.db2.gz IMZOQHBVOIOQPM-UHFFFAOYSA-N 1 0 491.055 4.739 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[NH+]1CCCC1 ZINC001359927426 1064664049 /nfs/dbraw/zinc/66/40/49/1064664049.db2.gz YJQHYYBFSYSRIZ-HXUWFJFHSA-N 1 0 454.688 4.993 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001359947732 1064697288 /nfs/dbraw/zinc/69/72/88/1064697288.db2.gz NZOYRAATFSMGKZ-OAQYLSRUSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360008249 1064796522 /nfs/dbraw/zinc/79/65/22/1064796522.db2.gz NOMYMGLSZTYYNO-MBSDFSHPSA-N 1 0 488.478 4.534 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001360011750 1064806590 /nfs/dbraw/zinc/80/65/90/1064806590.db2.gz HSQVVSZHPDTRBB-NOZRDPDXSA-N 1 0 496.725 4.675 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360012328 1064809124 /nfs/dbraw/zinc/80/91/24/1064809124.db2.gz POCIQACXSMGPJJ-VWNXMTODSA-N 1 0 478.685 4.969 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567480 1064838866 /nfs/dbraw/zinc/83/88/66/1064838866.db2.gz UVFWTIKZAMRMJD-IRXDYDNUSA-N 1 0 450.073 4.960 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccs2)CC1)C(C)C ZINC001360124121 1065016200 /nfs/dbraw/zinc/01/62/00/1065016200.db2.gz VYJCFFZSRNIMTD-UHFFFAOYSA-N 1 0 477.682 4.714 20 30 JJEDRO CC(C)[NH+](CCCn1c(COc2ccccc2F)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001360125998 1065019230 /nfs/dbraw/zinc/01/92/30/1065019230.db2.gz CVXNKNQHNUGYDE-UHFFFAOYSA-N 1 0 456.610 4.635 20 30 JJEDRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001360126356 1065019945 /nfs/dbraw/zinc/01/99/45/1065019945.db2.gz OVQSFEXNEUVAFN-UHFFFAOYSA-N 1 0 484.092 4.591 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001360129261 1065024794 /nfs/dbraw/zinc/02/47/94/1065024794.db2.gz TYRIQGQSYXAMHM-UHFFFAOYSA-N 1 0 473.463 4.956 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360139831 1065036269 /nfs/dbraw/zinc/03/62/69/1065036269.db2.gz VACCGFKJMXTSJY-IBGZPJMESA-N 1 0 471.447 4.568 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001360409317 1065272747 /nfs/dbraw/zinc/27/27/47/1065272747.db2.gz DCTPCLOGMHATLF-QFIPXVFZSA-N 1 0 486.611 4.579 20 30 JJEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428954 1065317406 /nfs/dbraw/zinc/31/74/06/1065317406.db2.gz BTBMSVMKQUZGKX-SANMLTNESA-N 1 0 455.606 4.549 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001360469365 1065384600 /nfs/dbraw/zinc/38/46/00/1065384600.db2.gz BIMOGYYRMCPGGN-HZPDHXFCSA-N 1 0 489.443 4.938 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360470101 1065386649 /nfs/dbraw/zinc/38/66/49/1065386649.db2.gz LLMDBCVCCZXVIR-KDOFPFPSSA-N 1 0 491.821 4.995 20 30 JJEDRO C=CCOc1ccc(Br)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001436641426 1065413015 /nfs/dbraw/zinc/41/30/15/1065413015.db2.gz NSFGDJBNAHZYNB-UHFFFAOYSA-N 1 0 458.400 4.555 20 30 JJEDRO C[C@H](CCn1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510393 1065454278 /nfs/dbraw/zinc/45/42/78/1065454278.db2.gz JQXCSTKIKXZAKE-HXUWFJFHSA-N 1 0 484.092 4.692 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001360540944 1065526960 /nfs/dbraw/zinc/52/69/60/1065526960.db2.gz JWHYKLLBECYJGC-OYHNWAKOSA-N 1 0 491.865 4.974 20 30 JJEDRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001360586403 1065587377 /nfs/dbraw/zinc/58/73/77/1065587377.db2.gz DNXJBMLVDYDMKU-QGZVFWFLSA-N 1 0 459.063 4.837 20 30 JJEDRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360593295 1065602521 /nfs/dbraw/zinc/60/25/21/1065602521.db2.gz FNUCKAZWXDXBDT-GOSISDBHSA-N 1 0 471.447 4.570 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC001360598459 1065618424 /nfs/dbraw/zinc/61/84/24/1065618424.db2.gz XTCIWVSHAPZQGC-QGZVFWFLSA-N 1 0 489.437 4.709 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001360645727 1065721125 /nfs/dbraw/zinc/72/11/25/1065721125.db2.gz KPTCMBSVMNEQEI-OSPHWJPCSA-N 1 0 467.980 4.565 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360744903 1065783290 /nfs/dbraw/zinc/78/32/90/1065783290.db2.gz CTMKMKBHMAMTEX-IBVKSMDESA-N 1 0 468.621 4.809 20 30 JJEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)c2)cc1 ZINC001439273074 1065808758 /nfs/dbraw/zinc/80/87/58/1065808758.db2.gz NVPYIFZACCSFGA-JWQCQUIFSA-N 1 0 479.502 4.930 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360758656 1065825538 /nfs/dbraw/zinc/82/55/38/1065825538.db2.gz UNRVYOGLULKAJW-AXHZCLLHSA-N 1 0 457.022 4.686 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360770515 1065866702 /nfs/dbraw/zinc/86/67/02/1065866702.db2.gz YRKOBJYZHHIIDH-IBGZPJMESA-N 1 0 454.594 4.562 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](c2cccs2)[NH+](C)C)c1C ZINC001360866883 1065990307 /nfs/dbraw/zinc/99/03/07/1065990307.db2.gz ZEZYIMBNGQLNSM-IOMROCGXSA-N 1 0 466.655 4.995 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360872784 1066006867 /nfs/dbraw/zinc/00/68/67/1066006867.db2.gz AMJRQODVOOXHFS-SNOBZRMMSA-N 1 0 468.621 4.599 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360873346 1066008453 /nfs/dbraw/zinc/00/84/53/1066008453.db2.gz HBNONVKCSZSIMI-ATIYNZHBSA-N 1 0 470.637 4.986 20 30 JJEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 ZINC001441330211 1066029538 /nfs/dbraw/zinc/02/95/38/1066029538.db2.gz ZKNMBXSFHGRWRU-OYRHEFFESA-N 1 0 455.558 4.890 20 30 JJEDRO C=CC1(CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001441479382 1066045551 /nfs/dbraw/zinc/04/55/51/1066045551.db2.gz KGUCDZFOBYZQEQ-NHCUHLMSSA-N 1 0 455.643 4.594 20 30 JJEDRO Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360895006 1066047753 /nfs/dbraw/zinc/04/77/53/1066047753.db2.gz XYHSZGKMGDUGIZ-JOCHJYFZSA-N 1 0 477.682 4.862 20 30 JJEDRO Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360926232 1066082613 /nfs/dbraw/zinc/08/26/13/1066082613.db2.gz IZSKFYMRRSKPJF-UHFFFAOYSA-N 1 0 492.693 4.898 20 30 JJEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001442313276 1066115870 /nfs/dbraw/zinc/11/58/70/1066115870.db2.gz YGELBVJSMBRDIU-QFIPXVFZSA-N 1 0 455.484 4.576 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360989722 1066163187 /nfs/dbraw/zinc/16/31/87/1066163187.db2.gz JVONQCBGKCNGJJ-FLPMJASOSA-N 1 0 489.039 4.862 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361026800 1066227290 /nfs/dbraw/zinc/22/72/90/1066227290.db2.gz HJIFQXJATDPYNC-UHFFFAOYSA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361032118 1066244936 /nfs/dbraw/zinc/24/49/36/1066244936.db2.gz LUDJETJROGKCQI-MHZLTWQESA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361032168 1066245625 /nfs/dbraw/zinc/24/56/25/1066245625.db2.gz MOWWANIQIVGHKB-KCWPFWIISA-N 1 0 464.658 4.724 20 30 JJEDRO N#Cc1cccc(COc2ccc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)cc2Cl)c1 ZINC001443100935 1066268860 /nfs/dbraw/zinc/26/88/60/1066268860.db2.gz TWYRRMMYXZHIOG-UHFFFAOYSA-N 1 0 453.970 4.620 20 30 JJEDRO CC[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001545956385 1066288070 /nfs/dbraw/zinc/28/80/70/1066288070.db2.gz BODOCIRDPJTGTE-NZQKXSOJSA-N 1 0 459.642 4.965 20 30 JJEDRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001545959061 1066316224 /nfs/dbraw/zinc/31/62/24/1066316224.db2.gz PFIBRNIZILCTRT-NTKDMRAZSA-N 1 0 458.557 4.551 20 30 JJEDRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545959398 1066321909 /nfs/dbraw/zinc/32/19/09/1066321909.db2.gz VGRQMEAKXDLJPZ-LJQANCHMSA-N 1 0 489.437 4.851 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361088277 1066330001 /nfs/dbraw/zinc/33/00/01/1066330001.db2.gz HEOIOTFLEISAPX-RXFWQSSRSA-N 1 0 485.076 4.864 20 30 JJEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCCC1 ZINC001545962828 1066376592 /nfs/dbraw/zinc/37/65/92/1066376592.db2.gz KTNYTFJTWJLELV-OAQYLSRUSA-N 1 0 460.548 4.860 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361128146 1066390884 /nfs/dbraw/zinc/39/08/84/1066390884.db2.gz TYNOKFPXOFERFW-KAYWLYCHSA-N 1 0 496.725 4.856 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361128135 1066390965 /nfs/dbraw/zinc/39/09/65/1066390965.db2.gz SUXVQESHFAMTQM-AMGIVPHBSA-N 1 0 464.658 4.903 20 30 JJEDRO Cc1ccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)[NH+](C)C)cc1 ZINC001361134202 1066405606 /nfs/dbraw/zinc/40/56/06/1066405606.db2.gz BEGURWFWAQCFRU-QFIPXVFZSA-N 1 0 496.457 4.777 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361152250 1066446064 /nfs/dbraw/zinc/44/60/64/1066446064.db2.gz JUBUYFDMHQCMBS-GOTSBHOMSA-N 1 0 478.685 4.972 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCCC[NH+]2CCCC2)cc1Br ZINC001361175197 1066492147 /nfs/dbraw/zinc/49/21/47/1066492147.db2.gz GGNKQJZMFBNRJZ-GOSISDBHSA-N 1 0 473.463 4.878 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361205236 1066536376 /nfs/dbraw/zinc/53/63/76/1066536376.db2.gz GOYSMCXAWJKRHY-NFBKMPQASA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361205390 1066536691 /nfs/dbraw/zinc/53/66/91/1066536691.db2.gz IIKUATMOAGNAGG-WZONZLPQSA-N 1 0 489.437 4.578 20 30 JJEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC001456301529 1066558592 /nfs/dbraw/zinc/55/85/92/1066558592.db2.gz MKKHEMSYRVTRFI-AVRDEDQJSA-N 1 0 455.986 4.871 20 30 JJEDRO Cc1ccc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361238637 1066579718 /nfs/dbraw/zinc/57/97/18/1066579718.db2.gz WWRHZZIHDHCDPK-JOCHJYFZSA-N 1 0 462.598 4.560 20 30 JJEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC001446354966 1066695479 /nfs/dbraw/zinc/69/54/79/1066695479.db2.gz QJXBCGPONUTDPW-MHZLTWQESA-N 1 0 455.558 4.713 20 30 JJEDRO Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492629757 1066701847 /nfs/dbraw/zinc/70/18/47/1066701847.db2.gz HLMFLYQORGYLEE-IBGZPJMESA-N 1 0 477.682 4.944 20 30 JJEDRO Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001492644626 1066742730 /nfs/dbraw/zinc/74/27/30/1066742730.db2.gz USRQLEKHOHDCTA-UHFFFAOYSA-N 1 0 477.682 4.915 20 30 JJEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)c1 ZINC001458095759 1066973786 /nfs/dbraw/zinc/97/37/86/1066973786.db2.gz HXPALCKQJARPCV-UHFFFAOYSA-N 1 0 456.638 4.807 20 30 JJEDRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001546012395 1066992733 /nfs/dbraw/zinc/99/27/33/1066992733.db2.gz HTSPWVVYFMRKIX-SJLPKXTDSA-N 1 0 465.429 4.777 20 30 JJEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC001545753151 1067029243 /nfs/dbraw/zinc/02/92/43/1067029243.db2.gz KUCOPZYJZQFYBM-DHIUTWEWSA-N 1 0 453.970 4.502 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545805703 1067120944 /nfs/dbraw/zinc/12/09/44/1067120944.db2.gz QYMZIDHEJCFWMU-OXQOHEQNSA-N 1 0 461.452 4.812 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545807240 1067125054 /nfs/dbraw/zinc/12/50/54/1067125054.db2.gz DQCIDPXEJJSAMJ-GOTSBHOMSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC001545807865 1067129477 /nfs/dbraw/zinc/12/94/77/1067129477.db2.gz OZUIRTMSVKKWFK-HSZRJFAPSA-N 1 0 485.076 4.866 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545808316 1067133529 /nfs/dbraw/zinc/13/35/29/1067133529.db2.gz WPYFRCSTSJMHNP-XZOQPEGZSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001545808455 1067134445 /nfs/dbraw/zinc/13/44/45/1067134445.db2.gz ZBGKXWMJEVBSEV-VXKWHMMOSA-N 1 0 496.656 4.908 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001545822247 1067163678 /nfs/dbraw/zinc/16/36/78/1067163678.db2.gz XBQBEDCMEGZNRR-LOSJGSFVSA-N 1 0 462.642 4.661 20 30 JJEDRO C=CCOc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C(C)(C)C)cc1 ZINC001459745439 1067403972 /nfs/dbraw/zinc/40/39/72/1067403972.db2.gz FIFRIQOUBLLGER-UHFFFAOYSA-N 1 0 458.002 4.569 20 30 JJEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC001459848219 1067453562 /nfs/dbraw/zinc/45/35/62/1067453562.db2.gz GOEAFLSYCKAZSK-XMMPIXPASA-N 1 0 458.562 4.896 20 30 JJEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c1C#N ZINC001459861983 1067461926 /nfs/dbraw/zinc/46/19/26/1067461926.db2.gz TZNFHLXMJONKMJ-SFHVURJKSA-N 1 0 456.525 4.580 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015260 1067528348 /nfs/dbraw/zinc/52/83/48/1067528348.db2.gz IVEOKMQUYZEZBW-FCHUYYIVSA-N 1 0 456.631 4.565 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1C#N ZINC001460146058 1067564486 /nfs/dbraw/zinc/56/44/86/1067564486.db2.gz JTDJPKIJMBGPDZ-GOSISDBHSA-N 1 0 456.525 4.580 20 30 JJEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146653 1067564641 /nfs/dbraw/zinc/56/46/41/1067564641.db2.gz UWYASFLYDQYCLE-DEOSSOPVSA-N 1 0 453.030 4.815 20 30 JJEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CCCOc2cccc(C#N)c2)C1 ZINC001460387240 1067623798 /nfs/dbraw/zinc/62/37/98/1067623798.db2.gz BBPRVVZIAVMDAF-DNQXCXABSA-N 1 0 453.558 4.849 20 30 JJEDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCOc2ccc(C#N)cc2)cc1 ZINC001460388381 1067624196 /nfs/dbraw/zinc/62/41/96/1067624196.db2.gz HCTGQPIQUPYGTN-DQEYMECFSA-N 1 0 465.594 4.719 20 30 JJEDRO C#CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777523 1067721701 /nfs/dbraw/zinc/72/17/01/1067721701.db2.gz FKHPGXZFMZUURS-UHFFFAOYSA-N 1 0 455.002 4.940 20 30 JJEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC001460941645 1067751545 /nfs/dbraw/zinc/75/15/45/1067751545.db2.gz SLKBJGZURWATMV-WWMMDOJLSA-N 1 0 450.579 4.944 20 30 JJEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001461095304 1067781332 /nfs/dbraw/zinc/78/13/32/1067781332.db2.gz LAHWXIXFKBLSCQ-JOCHJYFZSA-N 1 0 456.464 4.686 20 30 JJEDRO C=CCc1cc(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)cc(OC)c1OC ZINC001461182114 1067794297 /nfs/dbraw/zinc/79/42/97/1067794297.db2.gz SVACGUQYGDBHNX-UHFFFAOYSA-N 1 0 456.384 4.979 20 30 JJEDRO O=C(NCC[NH2+]Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C1N=CC=CC1=O ZINC001461193040 1067796278 /nfs/dbraw/zinc/79/62/78/1067796278.db2.gz UKJQACKMJBSNOX-MRCUWXFGSA-N 1 0 450.297 4.541 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1OCC ZINC001461389941 1067844919 /nfs/dbraw/zinc/84/49/19/1067844919.db2.gz LHBIRDUNRWAUBF-SFHVURJKSA-N 1 0 454.405 4.968 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1OC ZINC001461409658 1067848710 /nfs/dbraw/zinc/84/87/10/1067848710.db2.gz ROJSUDYLFMNARC-OAHLLOKOSA-N 1 0 458.356 4.966 20 30 JJEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001461444461 1067858119 /nfs/dbraw/zinc/85/81/19/1067858119.db2.gz NNLILGDLABMUNS-UHFFFAOYSA-N 1 0 452.299 4.797 20 30 JJEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc(I)c1OC ZINC001461537409 1067883687 /nfs/dbraw/zinc/88/36/87/1067883687.db2.gz JOUOJYAFRMFTIG-SFHVURJKSA-N 1 0 450.320 4.833 20 30 JJEDRO Cn1cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001462334632 1068052862 /nfs/dbraw/zinc/05/28/62/1068052862.db2.gz CNCPGEYLUIYNBC-BJKOFHAPSA-N 1 0 475.568 4.591 20 30 JJEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2F)CC1 ZINC001462357277 1068058268 /nfs/dbraw/zinc/05/82/68/1068058268.db2.gz IXEQSJSPUOTXRT-UHFFFAOYSA-N 1 0 458.537 4.671 20 30 JJEDRO Oc1cccc(Br)c1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623593 1068115068 /nfs/dbraw/zinc/11/50/68/1068115068.db2.gz AGBAMOORVFSROP-IUCAKERBSA-N 1 0 454.155 4.758 20 30 JJEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(CC#N)cc2Cl)cc1 ZINC001462783417 1068167034 /nfs/dbraw/zinc/16/70/34/1068167034.db2.gz UCWWNZABILBOAQ-UHFFFAOYSA-N 1 0 453.995 4.613 20 30 JJEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001462920953 1068214899 /nfs/dbraw/zinc/21/48/99/1068214899.db2.gz FXRLTHIFRBFQCH-IBGZPJMESA-N 1 0 459.921 4.592 20 30 JJEDRO C=CC1(CC(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671974 1068819476 /nfs/dbraw/zinc/81/94/76/1068819476.db2.gz CVKGHFYCTAOHPJ-HSZRJFAPSA-N 1 0 455.643 4.703 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164389820 718816104 /nfs/dbraw/zinc/81/61/04/718816104.db2.gz ZWCCSAVNQFEAPN-SFHVURJKSA-N 1 0 471.861 4.724 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618741 719049432 /nfs/dbraw/zinc/04/94/32/719049432.db2.gz BGJKWNGGIYFCGR-ZJSXRUAMSA-N 1 0 465.935 4.797 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164627001 719050554 /nfs/dbraw/zinc/05/05/54/719050554.db2.gz TVBLVWBTNPAOLK-URXFXBBRSA-N 1 0 465.935 4.797 20 30 JJEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([C@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693312 719804599 /nfs/dbraw/zinc/80/45/99/719804599.db2.gz RXWJAKMQWSVAKH-HSZRJFAPSA-N 1 0 458.635 4.840 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164714047 720159270 /nfs/dbraw/zinc/15/92/70/720159270.db2.gz NSVKNKFLCIIUCA-SFHVURJKSA-N 1 0 497.977 4.941 20 30 JJEDRO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722598 720383118 /nfs/dbraw/zinc/38/31/18/720383118.db2.gz DPDBYUKMRCPSIA-VMPREFPWSA-N 1 0 492.602 4.671 20 30 JJEDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843273 720651959 /nfs/dbraw/zinc/65/19/59/720651959.db2.gz VTVNZENOCHNTGF-LLGFUMIMSA-N 1 0 469.420 4.988 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755747 720878832 /nfs/dbraw/zinc/87/88/32/720878832.db2.gz YRPFFZMUMXFGGZ-NBGIEHNGSA-N 1 0 486.447 4.719 20 30 JJEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164749597 720894298 /nfs/dbraw/zinc/89/42/98/720894298.db2.gz AIEBTXBQDUKDBV-SQHAQQRYSA-N 1 0 480.056 4.709 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164870581 721195837 /nfs/dbraw/zinc/19/58/37/721195837.db2.gz VUOCAAQZZCMMJO-DHIUTWEWSA-N 1 0 495.961 4.693 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164791698 721474407 /nfs/dbraw/zinc/47/44/07/721474407.db2.gz XRFJMOOKXLTPHR-NRFANRHFSA-N 1 0 483.056 4.802 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164908100 721712218 /nfs/dbraw/zinc/71/22/18/721712218.db2.gz VOCBGNSDDOIJFB-VWLOTQADSA-N 1 0 492.599 4.870 20 30 JJEDRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908088 721717117 /nfs/dbraw/zinc/71/71/17/721717117.db2.gz VNZSDTTYLQZGIT-DEOSSOPVSA-N 1 0 454.641 4.752 20 30 JJEDRO N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909139 721725105 /nfs/dbraw/zinc/72/51/05/721725105.db2.gz CGYDXAQDJMAMEM-HHHXNRCGSA-N 1 0 489.570 4.859 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164909862 721725689 /nfs/dbraw/zinc/72/56/89/721725689.db2.gz DZPNXBWBSOYTFR-HSZRJFAPSA-N 1 0 451.546 4.814 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165026592 721802484 /nfs/dbraw/zinc/80/24/84/721802484.db2.gz RJBHIQOKUPGPKS-ZFOJSEFRSA-N 1 0 452.606 4.572 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001165027051 721830468 /nfs/dbraw/zinc/83/04/68/721830468.db2.gz RJQNFORNZLSLFQ-BAGYTPMASA-N 1 0 474.996 4.926 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@@H]21 ZINC001165023188 721830615 /nfs/dbraw/zinc/83/06/15/721830615.db2.gz IGTRGCNVQDNBMX-AJSBUHFISA-N 1 0 474.996 4.926 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001165030982 721845163 /nfs/dbraw/zinc/84/51/63/721845163.db2.gz NOAXRRYHXIEKDW-UHFFFAOYSA-N 1 0 493.995 4.912 20 30 JJEDRO N#C[C@H](c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047377 721975704 /nfs/dbraw/zinc/97/57/04/721975704.db2.gz FUGXYNCZOWZBJC-SQJMNOBHSA-N 1 0 489.645 4.513 20 30 JJEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001165053737 722005642 /nfs/dbraw/zinc/00/56/42/722005642.db2.gz UOBFIUNWBCIFTE-RUZDIDTESA-N 1 0 491.661 4.596 20 30 JJEDRO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359745914 1064321401 /nfs/dbraw/zinc/32/14/01/1064321401.db2.gz UPQUMPXXCVIYHV-IRLDBZIGSA-N 1 0 464.639 4.575 20 30 JJEDRO C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCCN1C(=O)OC(C)(C)C ZINC001434917476 1064344288 /nfs/dbraw/zinc/34/42/88/1064344288.db2.gz KURCRLXRSWQKFK-RUZDIDTESA-N 1 0 459.656 4.828 20 30 JJEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001434978164 1064393748 /nfs/dbraw/zinc/39/37/48/1064393748.db2.gz PRSURNOILAGEGA-VIZOYTHASA-N 1 0 457.530 4.951 20 30 JJEDRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001359768881 1064398847 /nfs/dbraw/zinc/39/88/47/1064398847.db2.gz GZLFRTQRPNJXOU-DEOSSOPVSA-N 1 0 463.674 4.500 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001359771696 1064406082 /nfs/dbraw/zinc/40/60/82/1064406082.db2.gz BIWGOXLFOFQOCP-IFMALSPDSA-N 1 0 452.647 4.577 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc2ccc(Br)cc12 ZINC001435076403 1064499077 /nfs/dbraw/zinc/49/90/77/1064499077.db2.gz ASWDAPSBHXZRSY-UHFFFAOYSA-N 1 0 456.409 4.668 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359817847 1064500753 /nfs/dbraw/zinc/50/07/53/1064500753.db2.gz MFLAJGAGWZZFAV-UHFFFAOYSA-N 1 0 464.658 4.518 20 30 JJEDRO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359841552 1064528972 /nfs/dbraw/zinc/52/89/72/1064528972.db2.gz SJQOAKVJRGVVCY-UHFFFAOYSA-N 1 0 477.701 4.721 20 30 JJEDRO CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359921789 1064649414 /nfs/dbraw/zinc/64/94/14/1064649414.db2.gz UNVVLFDMKVYNGG-LVXARBLLSA-N 1 0 452.647 4.722 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001359926530 1064659354 /nfs/dbraw/zinc/65/93/54/1064659354.db2.gz RHXPNZVRWMSJNQ-XMMPIXPASA-N 1 0 466.674 4.633 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[NH+]1CCCC1 ZINC001359927425 1064664083 /nfs/dbraw/zinc/66/40/83/1064664083.db2.gz YJQHYYBFSYSRIZ-FQEVSTJZSA-N 1 0 454.688 4.993 20 30 JJEDRO CC(C)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359955152 1064723257 /nfs/dbraw/zinc/72/32/57/1064723257.db2.gz WDQLWNOVMLKUFE-UHFFFAOYSA-N 1 0 478.685 4.970 20 30 JJEDRO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001359992779 1064775023 /nfs/dbraw/zinc/77/50/23/1064775023.db2.gz CIIBDEMKXJRKCJ-VXKWHMMOSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360008102 1064795921 /nfs/dbraw/zinc/79/59/21/1064795921.db2.gz KTKPXJUKGWTHRN-ZWKOTPCHSA-N 1 0 491.453 4.953 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001360008078 1064796109 /nfs/dbraw/zinc/79/61/09/1064796109.db2.gz KKYVIDHMRPITRI-QHCPKHFHSA-N 1 0 486.668 4.735 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360012326 1064809232 /nfs/dbraw/zinc/80/92/32/1064809232.db2.gz POCIQACXSMGPJJ-LADGPHEKSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360097890 1064976210 /nfs/dbraw/zinc/97/62/10/1064976210.db2.gz TXKZCZMKKMRSEK-UHFFFAOYSA-N 1 0 476.650 4.708 20 30 JJEDRO CC(C)[NH+](CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)C(C)C ZINC001360126067 1065019145 /nfs/dbraw/zinc/01/91/45/1065019145.db2.gz FZEXBQYJGBKHFZ-UHFFFAOYSA-N 1 0 461.658 4.989 20 30 JJEDRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001360133971 1065029710 /nfs/dbraw/zinc/02/97/10/1065029710.db2.gz AGSDGIOKDVXCND-JOCHJYFZSA-N 1 0 483.419 4.725 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001360138838 1065034962 /nfs/dbraw/zinc/03/49/62/1065034962.db2.gz KSSNMEKBSSAYER-FQEVSTJZSA-N 1 0 485.474 4.958 20 30 JJEDRO CC(C)OCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360376882 1065236906 /nfs/dbraw/zinc/23/69/06/1065236906.db2.gz QRIXFVDLLDUYKK-UHFFFAOYSA-N 1 0 452.647 4.580 20 30 JJEDRO CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360427673 1065298124 /nfs/dbraw/zinc/29/81/24/1065298124.db2.gz OMNHRZBUCRMWDG-BJKOFHAPSA-N 1 0 450.631 4.502 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360469652 1065385459 /nfs/dbraw/zinc/38/54/59/1065385459.db2.gz FYMMQRZRAYACTD-KRWDZBQOSA-N 1 0 477.440 4.635 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360470137 1065386929 /nfs/dbraw/zinc/38/69/29/1065386929.db2.gz LXCXSMNBCSUXQG-KRWDZBQOSA-N 1 0 459.436 4.568 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[NH+]1CCSCC1 ZINC001360470209 1065387317 /nfs/dbraw/zinc/38/73/17/1065387317.db2.gz NRHVCOVIESCIAH-KRWDZBQOSA-N 1 0 470.643 4.600 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360470703 1065389592 /nfs/dbraw/zinc/38/95/92/1065389592.db2.gz UDVBKOJYNLLNBP-RDPSFJRHSA-N 1 0 476.625 4.976 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360478715 1065395960 /nfs/dbraw/zinc/39/59/60/1065395960.db2.gz MSBMPROEMYXWID-XUZZJYLKSA-N 1 0 462.667 4.971 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001360479052 1065396613 /nfs/dbraw/zinc/39/66/13/1065396613.db2.gz QDXNGQCOBCMQQU-SIKLNZKXSA-N 1 0 450.562 4.567 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360480648 1065399126 /nfs/dbraw/zinc/39/91/26/1065399126.db2.gz DRWQORYKHLNQMB-IMWIBFENSA-N 1 0 482.629 4.879 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360480650 1065399739 /nfs/dbraw/zinc/39/97/39/1065399739.db2.gz DRWQORYKHLNQMB-YDIMBITNSA-N 1 0 482.629 4.879 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505949 1065443158 /nfs/dbraw/zinc/44/31/58/1065443158.db2.gz YFSRDKXDNNDPSR-ROUUACIJSA-N 1 0 459.436 4.710 20 30 JJEDRO C[C@@H](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360510592 1065454690 /nfs/dbraw/zinc/45/46/90/1065454690.db2.gz OACMTKSMJLHAIJ-SBUREZEXSA-N 1 0 495.430 4.870 20 30 JJEDRO C[C@H](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360510591 1065454824 /nfs/dbraw/zinc/45/48/24/1065454824.db2.gz OACMTKSMJLHAIJ-HXOBKFHXSA-N 1 0 495.430 4.870 20 30 JJEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCCC1 ZINC001360519424 1065486836 /nfs/dbraw/zinc/48/68/36/1065486836.db2.gz MPYFKDRNUFAVKJ-KNQAVFIVSA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001437245095 1065525089 /nfs/dbraw/zinc/52/50/89/1065525089.db2.gz PSNLUZFCSZTXFE-JOCHJYFZSA-N 1 0 453.586 4.697 20 30 JJEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC001360541759 1065529591 /nfs/dbraw/zinc/52/95/91/1065529591.db2.gz NPOFDBCYLWNHNU-HNNXBMFYSA-N 1 0 485.455 4.760 20 30 JJEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1nccs1 ZINC001360542325 1065531612 /nfs/dbraw/zinc/53/16/12/1065531612.db2.gz TZQUAVKWKSZDMD-IBGZPJMESA-N 1 0 463.655 4.635 20 30 JJEDRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001360586402 1065587131 /nfs/dbraw/zinc/58/71/31/1065587131.db2.gz DNXJBMLVDYDMKU-KRWDZBQOSA-N 1 0 459.063 4.837 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCCC1 ZINC001360596900 1065611266 /nfs/dbraw/zinc/61/12/66/1065611266.db2.gz JNODDPYRJLNHMF-GOSISDBHSA-N 1 0 459.013 4.990 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602086 1065625408 /nfs/dbraw/zinc/62/54/08/1065625408.db2.gz MDZRNEMGYGDWQL-FCHUYYIVSA-N 1 0 464.658 4.723 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360601905 1065625549 /nfs/dbraw/zinc/62/55/49/1065625549.db2.gz JBPUKMAZVZMVEI-HXUWFJFHSA-N 1 0 494.043 4.536 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360744904 1065783365 /nfs/dbraw/zinc/78/33/65/1065783365.db2.gz CTMKMKBHMAMTEX-RXFWQSSRSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360758660 1065825727 /nfs/dbraw/zinc/82/57/27/1065825727.db2.gz UNRVYOGLULKAJW-JXQFQVJHSA-N 1 0 457.022 4.686 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360758658 1065825878 /nfs/dbraw/zinc/82/58/78/1065825878.db2.gz UNRVYOGLULKAJW-IMWIBFENSA-N 1 0 457.022 4.686 20 30 JJEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 ZINC001360770549 1065866753 /nfs/dbraw/zinc/86/67/53/1065866753.db2.gz YZJGYKYPOYNXQA-LJQANCHMSA-N 1 0 480.588 4.627 20 30 JJEDRO C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC[NH+]2CCCC2)C1 ZINC001360783277 1065895401 /nfs/dbraw/zinc/89/54/01/1065895401.db2.gz GYEKFRSZTXMGRI-QFIPXVFZSA-N 1 0 491.865 4.977 20 30 JJEDRO C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001360783474 1065895880 /nfs/dbraw/zinc/89/58/80/1065895880.db2.gz LATPFLHJYDTCBX-HSZRJFAPSA-N 1 0 471.447 4.714 20 30 JJEDRO C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001360788078 1065902011 /nfs/dbraw/zinc/90/20/11/1065902011.db2.gz KQQIHZLPWYULND-QHCPKHFHSA-N 1 0 475.424 4.556 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001360808255 1065920808 /nfs/dbraw/zinc/92/08/08/1065920808.db2.gz IJKXUVWEVHXRGC-JOCHJYFZSA-N 1 0 465.404 4.816 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2CC[NH+](C3CC3)CC2)c1C ZINC001360866490 1065988548 /nfs/dbraw/zinc/98/85/48/1065988548.db2.gz UIGRJPXOSMHUTP-CTNGQTDRSA-N 1 0 450.631 4.648 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360873349 1066008991 /nfs/dbraw/zinc/00/89/91/1066008991.db2.gz HBNONVKCSZSIMI-NVQXNPDNSA-N 1 0 470.637 4.986 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001360873590 1066009718 /nfs/dbraw/zinc/00/97/18/1066009718.db2.gz GPXLRNKSAKTXSE-SAYMBASOSA-N 1 0 494.684 4.666 20 30 JJEDRO CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001360892589 1066044825 /nfs/dbraw/zinc/04/48/25/1066044825.db2.gz FFVJQFDVJPGJOE-UHFFFAOYSA-N 1 0 462.642 4.787 20 30 JJEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001442542814 1066134784 /nfs/dbraw/zinc/13/47/84/1066134784.db2.gz GKKUZMJMZLFFFX-UHFFFAOYSA-N 1 0 457.603 4.675 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC001361018259 1066208089 /nfs/dbraw/zinc/20/80/89/1066208089.db2.gz KGKHWSCTFGLLIC-VWNXMTODSA-N 1 0 464.658 4.867 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361032307 1066245829 /nfs/dbraw/zinc/24/58/29/1066245829.db2.gz QCEMSDZKDJRRJW-KCWPFWIISA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045250 1066269198 /nfs/dbraw/zinc/26/91/98/1066269198.db2.gz RBQUMJDEOLKIMB-YADARESESA-N 1 0 471.609 4.987 20 30 JJEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 ZINC001454537160 1066297007 /nfs/dbraw/zinc/29/70/07/1066297007.db2.gz GJXUJYLADRDOFU-NRFANRHFSA-N 1 0 454.452 4.797 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361123317 1066373275 /nfs/dbraw/zinc/37/32/75/1066373275.db2.gz XISUXDCHKRQUJX-FGZHOGPDSA-N 1 0 452.647 4.759 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361123318 1066373518 /nfs/dbraw/zinc/37/35/18/1066373518.db2.gz XISUXDCHKRQUJX-VXKWHMMOSA-N 1 0 452.647 4.759 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361130285 1066395077 /nfs/dbraw/zinc/39/50/77/1066395077.db2.gz LJSJCRJNJMGUKA-XZOQPEGZSA-N 1 0 494.684 4.528 20 30 JJEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001444089840 1066403983 /nfs/dbraw/zinc/40/39/83/1066403983.db2.gz OVOPMHSIOVYFET-UHFFFAOYSA-N 1 0 457.599 4.596 20 30 JJEDRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001545965115 1066418109 /nfs/dbraw/zinc/41/81/09/1066418109.db2.gz QBSGTGCOCDJEPY-LJQANCHMSA-N 1 0 489.437 4.851 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001361155186 1066453089 /nfs/dbraw/zinc/45/30/89/1066453089.db2.gz OHZCVALPHGZKBS-UHFFFAOYSA-N 1 0 476.625 4.544 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001361171823 1066487992 /nfs/dbraw/zinc/48/79/92/1066487992.db2.gz WRRIMVCMHZQEDF-SFHVURJKSA-N 1 0 473.463 4.876 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001361175538 1066492879 /nfs/dbraw/zinc/49/28/79/1066492879.db2.gz QNYMAUKCVFXZMJ-GBESFXJTSA-N 1 0 487.490 4.980 20 30 JJEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361204499 1066535562 /nfs/dbraw/zinc/53/55/62/1066535562.db2.gz YIEBVHOQBNGKFK-GOSISDBHSA-N 1 0 485.474 4.878 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361205386 1066536537 /nfs/dbraw/zinc/53/65/37/1066536537.db2.gz IIKUATMOAGNAGG-FDDCHVKYSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001361205566 1066536721 /nfs/dbraw/zinc/53/67/21/1066536721.db2.gz LUXSQHWQDYUHFF-AUSIDOKSSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361238638 1066579668 /nfs/dbraw/zinc/57/96/68/1066579668.db2.gz WWRHZZIHDHCDPK-QFIPXVFZSA-N 1 0 462.598 4.560 20 30 JJEDRO Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)o1 ZINC001361261036 1066611747 /nfs/dbraw/zinc/61/17/47/1066611747.db2.gz FAVLJOIIOPJFBM-FQEVSTJZSA-N 1 0 462.598 4.531 20 30 JJEDRO Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC001361261037 1066611776 /nfs/dbraw/zinc/61/17/76/1066611776.db2.gz FAVLJOIIOPJFBM-HXUWFJFHSA-N 1 0 462.598 4.531 20 30 JJEDRO Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492629758 1066701954 /nfs/dbraw/zinc/70/19/54/1066701954.db2.gz HLMFLYQORGYLEE-LJQANCHMSA-N 1 0 477.682 4.944 20 30 JJEDRO Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001492642871 1066736741 /nfs/dbraw/zinc/73/67/41/1066736741.db2.gz ULHRIIVNATWWFK-NRFANRHFSA-N 1 0 463.655 4.554 20 30 JJEDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)cc1 ZINC001458386249 1067047964 /nfs/dbraw/zinc/04/79/64/1067047964.db2.gz RPIOSNBUJXHQCO-UHFFFAOYSA-N 1 0 456.594 4.519 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545807145 1067124138 /nfs/dbraw/zinc/12/41/38/1067124138.db2.gz BKNOAIJSYLFODP-DQEYMECFSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001545807436 1067126189 /nfs/dbraw/zinc/12/61/89/1067126189.db2.gz HWJQHCNSJGTWGH-VWLOTQADSA-N 1 0 464.658 4.580 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545807669 1067127549 /nfs/dbraw/zinc/12/75/49/1067127549.db2.gz MJNRLBAQBLXNFI-RUZDIDTESA-N 1 0 491.709 4.567 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807803 1067128693 /nfs/dbraw/zinc/12/86/93/1067128693.db2.gz OHEKSBPEMWWDDR-WNCULLNHSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545807953 1067130364 /nfs/dbraw/zinc/13/03/64/1067130364.db2.gz QAKWFNCHRBHIOI-BYXVTNLJSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001545808191 1067132300 /nfs/dbraw/zinc/13/23/00/1067132300.db2.gz ULTVOXANSGWJHA-OXQOHEQNSA-N 1 0 461.452 4.670 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545820012 1067156621 /nfs/dbraw/zinc/15/66/21/1067156621.db2.gz PZQCEVKURBONSI-SQHAQQRYSA-N 1 0 461.658 4.847 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001459538556 1067347634 /nfs/dbraw/zinc/34/76/34/1067347634.db2.gz GJHOWQJFGCDVNJ-HUVFLSCGSA-N 1 0 452.574 4.569 20 30 JJEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001459606846 1067361585 /nfs/dbraw/zinc/36/15/85/1067361585.db2.gz WLYQJOCGQHIGPJ-CTNGQTDRSA-N 1 0 450.652 4.812 20 30 JJEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001459606848 1067361892 /nfs/dbraw/zinc/36/18/92/1067361892.db2.gz WLYQJOCGQHIGPJ-FPOVZHCZSA-N 1 0 450.652 4.812 20 30 JJEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747962 1067404911 /nfs/dbraw/zinc/40/49/11/1067404911.db2.gz LGPGWRHPAMLUIN-WOJBJXKFSA-N 1 0 454.574 4.628 20 30 JJEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748462 1067404923 /nfs/dbraw/zinc/40/49/23/1067404923.db2.gz LNBWSLIBCKIDQD-DNQXCXABSA-N 1 0 450.627 4.879 20 30 JJEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784983 1067421559 /nfs/dbraw/zinc/42/15/59/1067421559.db2.gz HIBQBWFKEGIAIU-HFJWLAOPSA-N 1 0 451.636 4.523 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1C ZINC001459833173 1067444768 /nfs/dbraw/zinc/44/47/68/1067444768.db2.gz IYCGAOHZBRRICZ-HSZRJFAPSA-N 1 0 456.631 4.613 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1C ZINC001459833174 1067444924 /nfs/dbraw/zinc/44/49/24/1067444924.db2.gz IYCGAOHZBRRICZ-QHCPKHFHSA-N 1 0 456.631 4.613 20 30 JJEDRO C=CCN(C(=O)C[N@H+](C)CC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459890775 1067475296 /nfs/dbraw/zinc/47/52/96/1067475296.db2.gz DUTXRSVJCIAQHF-UHFFFAOYSA-N 1 0 454.423 4.994 20 30 JJEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C ZINC001460030818 1067534000 /nfs/dbraw/zinc/53/40/00/1067534000.db2.gz PYNROZHYNGUNOL-QHCPKHFHSA-N 1 0 455.624 4.517 20 30 JJEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC001460157524 1067566793 /nfs/dbraw/zinc/56/67/93/1067566793.db2.gz MJTLOPMWESZESR-ZWKOTPCHSA-N 1 0 452.580 4.574 20 30 JJEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC001460168734 1067568639 /nfs/dbraw/zinc/56/86/39/1067568639.db2.gz IRNZCBZRYCHDLP-VWLOTQADSA-N 1 0 455.562 4.938 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211585 1067580310 /nfs/dbraw/zinc/58/03/10/1067580310.db2.gz GWSVEIGHUVTDQE-NHCUHLMSSA-N 1 0 451.571 4.610 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211588 1067580326 /nfs/dbraw/zinc/58/03/26/1067580326.db2.gz GWSVEIGHUVTDQE-RTWAWAEBSA-N 1 0 451.571 4.610 20 30 JJEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254357 1067591867 /nfs/dbraw/zinc/59/18/67/1067591867.db2.gz FGVYKVUQQDHBDX-CVDCTZTESA-N 1 0 450.579 4.946 20 30 JJEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254347 1067591943 /nfs/dbraw/zinc/59/19/43/1067591943.db2.gz FGVYKVUQQDHBDX-AUSIDOKSSA-N 1 0 450.579 4.946 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001546115167 1067593869 /nfs/dbraw/zinc/59/38/69/1067593869.db2.gz UZBFDBQTOXRLAZ-OAQYLSRUSA-N 1 0 464.639 4.825 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CCS1 ZINC001546115175 1067594261 /nfs/dbraw/zinc/59/42/61/1067594261.db2.gz VEDCTSDBVPJWTF-QFIPXVFZSA-N 1 0 454.688 4.905 20 30 JJEDRO N#Cc1ccc(N2CCC[C@H](N3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280464 1067597092 /nfs/dbraw/zinc/59/70/92/1067597092.db2.gz SLXLNEPBHGMPQE-PKTZIBPZSA-N 1 0 452.396 4.913 20 30 JJEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)ccc1OC ZINC001461196416 1067797457 /nfs/dbraw/zinc/79/74/57/1067797457.db2.gz FMZKLLCXSOHQRL-OAQYLSRUSA-N 1 0 451.567 4.964 20 30 JJEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c(-c2ccccc2)n1 ZINC001461219265 1067802249 /nfs/dbraw/zinc/80/22/49/1067802249.db2.gz UPGSZCPRMFZYOM-HXUWFJFHSA-N 1 0 450.384 4.595 20 30 JJEDRO O=C1[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1ccccc1C(F)(F)F ZINC001461439109 1067856851 /nfs/dbraw/zinc/85/68/51/1067856851.db2.gz OLAKDKWRKKLNPK-HNNXBMFYSA-N 1 0 450.354 4.681 20 30 JJEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(OC(F)F)ccc3Br)CC2)c1 ZINC001461607777 1067900832 /nfs/dbraw/zinc/90/08/32/1067900832.db2.gz UJHMPGZHZCAGKT-UHFFFAOYSA-N 1 0 450.327 4.676 20 30 JJEDRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C3CCN(c4ccccc4C#N)CC3)cc2C1 ZINC001461677135 1067916561 /nfs/dbraw/zinc/91/65/61/1067916561.db2.gz MPSDAGCVISBUIU-UHFFFAOYSA-N 1 0 452.624 4.672 20 30 JJEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001463346588 1068366178 /nfs/dbraw/zinc/36/61/78/1068366178.db2.gz BNNPSPHLHDTWOW-UTKZUKDTSA-N 1 0 453.633 4.660 20 30 JJEDRO N#Cc1ccc(CS(=O)(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001463834291 1068541054 /nfs/dbraw/zinc/54/10/54/1068541054.db2.gz LPCMTHYIAYLILG-AREMUKBSSA-N 1 0 451.636 4.545 20 30 JJEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463835595 1068541664 /nfs/dbraw/zinc/54/16/64/1068541664.db2.gz OOOHSYRKHQXYOH-XMMPIXPASA-N 1 0 455.599 4.543 20 30 JJEDRO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001464226771 1068665598 /nfs/dbraw/zinc/66/55/98/1068665598.db2.gz HVKJLXZEGYXCBK-UHFFFAOYSA-N 1 0 451.636 4.555 20 30 JJEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475850 1068759937 /nfs/dbraw/zinc/75/99/37/1068759937.db2.gz SBCRTRZXHOEZJY-HSZRJFAPSA-N 1 0 453.533 4.597 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001464597733 1068794761 /nfs/dbraw/zinc/79/47/61/1068794761.db2.gz QFDQQOPFPCDYQS-NRFANRHFSA-N 1 0 450.023 4.715 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164413270 718881727 /nfs/dbraw/zinc/88/17/27/718881727.db2.gz GGGGHZYICZZZRR-KRWDZBQOSA-N 1 0 471.861 4.867 20 30 JJEDRO N#CCc1ccc(OCc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)cc1 ZINC001164707055 719898351 /nfs/dbraw/zinc/89/83/51/719898351.db2.gz MSQLYEABSAORRS-UHFFFAOYSA-N 1 0 474.630 4.660 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164712514 720153337 /nfs/dbraw/zinc/15/33/37/720153337.db2.gz NBIVLMTWTPCHDU-QFIPXVFZSA-N 1 0 461.997 4.662 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164715073 720158816 /nfs/dbraw/zinc/15/88/16/720158816.db2.gz SKMBKJRHPAYRJE-OAQYLSRUSA-N 1 0 476.024 4.971 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cnc2Cl)cc1 ZINC001164739767 720596659 /nfs/dbraw/zinc/59/66/59/720596659.db2.gz HCKYKDMSIHSUBD-UHFFFAOYSA-N 1 0 482.966 4.674 20 30 JJEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839814 720653722 /nfs/dbraw/zinc/65/37/22/720653722.db2.gz KHNQGNBLLCYPJI-PONJGIIJSA-N 1 0 470.955 4.612 20 30 JJEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844254 720663992 /nfs/dbraw/zinc/66/39/92/720663992.db2.gz ZLKYQALIXQPMEA-CLJLJLNGSA-N 1 0 467.617 4.700 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740177 720831323 /nfs/dbraw/zinc/83/13/23/720831323.db2.gz JKQOZFXEIABVFX-NMVJMZGASA-N 1 0 495.656 4.806 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755746 720878485 /nfs/dbraw/zinc/87/84/85/720878485.db2.gz YRPFFZMUMXFGGZ-CPJSRVTESA-N 1 0 486.447 4.719 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751411 720912503 /nfs/dbraw/zinc/91/25/03/720912503.db2.gz MHGMGLAFFQKKKP-RBJSKKJNSA-N 1 0 485.657 4.832 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164750766 720936242 /nfs/dbraw/zinc/93/62/42/720936242.db2.gz KMNQQHHJFJMIKS-FREGXXQWSA-N 1 0 485.676 4.717 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3C2)cn1 ZINC001164759749 721246997 /nfs/dbraw/zinc/24/69/97/721246997.db2.gz BIZXIOOSIDNXGK-RTWAWAEBSA-N 1 0 482.966 4.510 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906618 721567712 /nfs/dbraw/zinc/56/77/12/721567712.db2.gz KIEOTSMSPMRTCP-TZIWHRDSSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904709 721568094 /nfs/dbraw/zinc/56/80/94/721568094.db2.gz FJBGCJCCTHXSNU-PZJWPPBQSA-N 1 0 499.924 4.695 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165030383 721844884 /nfs/dbraw/zinc/84/48/84/721844884.db2.gz KERUUTWHDCIOKM-UHFFFAOYSA-N 1 0 450.970 4.878 20 30 JJEDRO N#C[C@@H](c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047374 721975781 /nfs/dbraw/zinc/97/57/81/721975781.db2.gz FUGXYNCZOWZBJC-BWKNWUBXSA-N 1 0 489.645 4.513 20 30 JJEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958817 722025450 /nfs/dbraw/zinc/02/54/50/722025450.db2.gz GBFCOBNLVCOAED-UHFFFAOYSA-N 1 0 453.924 4.926 20 30 JJEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359747758 1064330264 /nfs/dbraw/zinc/33/02/64/1064330264.db2.gz HXLFCKRSTHYMFC-GGAORHGYSA-N 1 0 452.672 4.515 20 30 JJEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359747834 1064331309 /nfs/dbraw/zinc/33/13/09/1064331309.db2.gz JTKWWYDEFHAFTG-QFIPXVFZSA-N 1 0 452.672 4.517 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001359767060 1064396295 /nfs/dbraw/zinc/39/62/95/1064396295.db2.gz ZWLUYWCOWCTCSV-OAQYLSRUSA-N 1 0 462.564 4.962 20 30 JJEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359841069 1064527530 /nfs/dbraw/zinc/52/75/30/1064527530.db2.gz AGLQUDAQTZMCJB-QHCPKHFHSA-N 1 0 466.699 4.592 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359849527 1064536184 /nfs/dbraw/zinc/53/61/84/1064536184.db2.gz LJFGTUMJDLHWIK-NRFANRHFSA-N 1 0 498.119 4.839 20 30 JJEDRO C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435175960 1064569292 /nfs/dbraw/zinc/56/92/92/1064569292.db2.gz OXUCTNVTGBFTRP-HXUWFJFHSA-N 1 0 457.368 4.627 20 30 JJEDRO CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359921788 1064648561 /nfs/dbraw/zinc/64/85/61/1064648561.db2.gz UNVVLFDMKVYNGG-HFZDXXHNSA-N 1 0 452.647 4.722 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359927123 1064662520 /nfs/dbraw/zinc/66/25/20/1064662520.db2.gz OIHTWIXMFIQGRH-UHFFFAOYSA-N 1 0 478.641 4.693 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001359930898 1064669078 /nfs/dbraw/zinc/66/90/78/1064669078.db2.gz UECVWWMLDQSYLJ-DHIUTWEWSA-N 1 0 458.695 4.839 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001435339084 1064709177 /nfs/dbraw/zinc/70/91/77/1064709177.db2.gz KNOUFYVXPLUYLH-NVQXNPDNSA-N 1 0 455.606 4.721 20 30 JJEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001545890808 1064744453 /nfs/dbraw/zinc/74/44/53/1064744453.db2.gz LFIVUZXXZYVOFT-AREMUKBSSA-N 1 0 455.558 4.713 20 30 JJEDRO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001359993588 1064777638 /nfs/dbraw/zinc/77/76/38/1064777638.db2.gz ZAMUCZGWLIZLET-UHFFFAOYSA-N 1 0 487.652 4.911 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC001360010463 1064802625 /nfs/dbraw/zinc/80/26/25/1064802625.db2.gz QDXCYRYTONJOJN-GPXOXTDOSA-N 1 0 462.686 4.978 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360010645 1064803590 /nfs/dbraw/zinc/80/35/90/1064803590.db2.gz TWKIZJIRQOYVGV-NOZRDPDXSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360017324 1064816676 /nfs/dbraw/zinc/81/66/76/1064816676.db2.gz CLVXZODPKKDYHN-UHFFFAOYSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001360069789 1064915421 /nfs/dbraw/zinc/91/54/21/1064915421.db2.gz WIXHARDBUBKEIS-UHFFFAOYSA-N 1 0 478.685 4.972 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001360123150 1065013834 /nfs/dbraw/zinc/01/38/34/1065013834.db2.gz CRDASUYWPYTBOG-UHFFFAOYSA-N 1 0 474.657 4.974 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001360124007 1065015692 /nfs/dbraw/zinc/01/56/92/1065015692.db2.gz SMUIPSJVJFBEPO-QFIPXVFZSA-N 1 0 477.426 4.658 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001360129380 1065025186 /nfs/dbraw/zinc/02/51/86/1065025186.db2.gz VORFGRGPMYZZGI-SANMLTNESA-N 1 0 480.588 4.678 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC001360129503 1065025219 /nfs/dbraw/zinc/02/52/19/1065025219.db2.gz WMYTXAFBVQMGQT-UHFFFAOYSA-N 1 0 481.048 4.627 20 30 JJEDRO CC(C)N(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001360142504 1065042405 /nfs/dbraw/zinc/04/24/05/1065042405.db2.gz XVVUGROGHMZFJJ-HSZRJFAPSA-N 1 0 476.625 4.857 20 30 JJEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Br)s2)CC1 ZINC001360305598 1065140716 /nfs/dbraw/zinc/14/07/16/1065140716.db2.gz WYDTVBBNWWMRED-UHFFFAOYSA-N 1 0 499.482 4.850 20 30 JJEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)CC1 ZINC001436206725 1065250971 /nfs/dbraw/zinc/25/09/71/1065250971.db2.gz WDKHBGCOGVQFOJ-UHFFFAOYSA-N 1 0 455.558 4.540 20 30 JJEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)CC1 ZINC001436206761 1065251642 /nfs/dbraw/zinc/25/16/42/1065251642.db2.gz WSKIRRIABDKWFN-UHFFFAOYSA-N 1 0 455.558 4.540 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360466377 1065378165 /nfs/dbraw/zinc/37/81/65/1065378165.db2.gz CKHFLZCFNZOANL-VQIMIIECSA-N 1 0 459.436 4.566 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360478714 1065396050 /nfs/dbraw/zinc/39/60/50/1065396050.db2.gz MSBMPROEMYXWID-URXFXBBRSA-N 1 0 462.667 4.971 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001360479051 1065396543 /nfs/dbraw/zinc/39/65/43/1065396543.db2.gz QDXNGQCOBCMQQU-KNQAVFIVSA-N 1 0 450.562 4.567 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360482922 1065402995 /nfs/dbraw/zinc/40/29/95/1065402995.db2.gz NJFKQQVYMKVMID-WQDFSMHNSA-N 1 0 478.685 4.846 20 30 JJEDRO C=CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC001436631883 1065408189 /nfs/dbraw/zinc/40/81/89/1065408189.db2.gz PSIWERCADGBZJO-IZZNHLLZSA-N 1 0 474.576 4.969 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505592 1065441543 /nfs/dbraw/zinc/44/15/43/1065441543.db2.gz QYAQBRAXIPOLDV-SJORKVTESA-N 1 0 477.426 4.850 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001360540946 1065526939 /nfs/dbraw/zinc/52/69/39/1065526939.db2.gz JWHYKLLBECYJGC-QRQCRPRQSA-N 1 0 491.865 4.974 20 30 JJEDRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360592075 1065599517 /nfs/dbraw/zinc/59/95/17/1065599517.db2.gz OVHFURDADSIKBE-SFHVURJKSA-N 1 0 471.447 4.570 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCCC1 ZINC001360596901 1065611177 /nfs/dbraw/zinc/61/11/77/1065611177.db2.gz JNODDPYRJLNHMF-SFHVURJKSA-N 1 0 459.013 4.990 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360601904 1065625492 /nfs/dbraw/zinc/62/54/92/1065625492.db2.gz JBPUKMAZVZMVEI-FQEVSTJZSA-N 1 0 494.043 4.536 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360741523 1065775695 /nfs/dbraw/zinc/77/56/95/1065775695.db2.gz PZWDAUHPHVKISF-PMACEKPBSA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360741808 1065776185 /nfs/dbraw/zinc/77/61/85/1065776185.db2.gz SFRNKGXCMUQGSR-LJQANCHMSA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCCC1 ZINC001360743273 1065778876 /nfs/dbraw/zinc/77/88/76/1065778876.db2.gz DBFKZBDQAAAFPK-RTWAWAEBSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360744901 1065783350 /nfs/dbraw/zinc/78/33/50/1065783350.db2.gz CTMKMKBHMAMTEX-FNZWTVRRSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001360775231 1065876855 /nfs/dbraw/zinc/87/68/55/1065876855.db2.gz RJSHCTRTDVPDPV-HFZDXXHNSA-N 1 0 468.621 4.953 20 30 JJEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCCC1 ZINC001440371466 1065933668 /nfs/dbraw/zinc/93/36/68/1065933668.db2.gz NZFBVPYRTNJTPL-SANMLTNESA-N 1 0 455.558 4.713 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC001360873588 1066009650 /nfs/dbraw/zinc/00/96/50/1066009650.db2.gz GPXLRNKSAKTXSE-FAHANXHHSA-N 1 0 494.684 4.666 20 30 JJEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC001441475028 1066044498 /nfs/dbraw/zinc/04/44/98/1066044498.db2.gz ZFBOOWGGSZIVHQ-FQEVSTJZSA-N 1 0 452.451 4.778 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC001361018256 1066208045 /nfs/dbraw/zinc/20/80/45/1066208045.db2.gz KGKHWSCTFGLLIC-ISKFKSNPSA-N 1 0 464.658 4.867 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361032170 1066245557 /nfs/dbraw/zinc/24/55/57/1066245557.db2.gz MOWWANIQIVGHKB-YIXXDRMTSA-N 1 0 464.658 4.724 20 30 JJEDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC001454476732 1066289221 /nfs/dbraw/zinc/28/92/21/1066289221.db2.gz GPBYWTGDULRNCH-UHFFFAOYSA-N 1 0 453.970 4.721 20 30 JJEDRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001545959059 1066316147 /nfs/dbraw/zinc/31/61/47/1066316147.db2.gz PFIBRNIZILCTRT-CYFREDJKSA-N 1 0 458.557 4.551 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001361089518 1066336208 /nfs/dbraw/zinc/33/62/08/1066336208.db2.gz WIULPLBSRUKUGQ-NRFANRHFSA-N 1 0 485.076 4.866 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361126616 1066385529 /nfs/dbraw/zinc/38/55/29/1066385529.db2.gz WFRFCLJBAOUTLV-UHFFFAOYSA-N 1 0 452.647 4.759 20 30 JJEDRO C#CCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001444125905 1066409367 /nfs/dbraw/zinc/40/93/67/1066409367.db2.gz VDYNGHMVBLCOLE-FQEVSTJZSA-N 1 0 452.352 4.653 20 30 JJEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC001444756149 1066501790 /nfs/dbraw/zinc/50/17/90/1066501790.db2.gz XPSHQXUFWMRUSR-UHFFFAOYSA-N 1 0 457.599 4.596 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001361205235 1066536416 /nfs/dbraw/zinc/53/64/16/1066536416.db2.gz GOTUTFXALYKGJP-QFIPXVFZSA-N 1 0 477.426 4.577 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361205237 1066536431 /nfs/dbraw/zinc/53/64/31/1066536431.db2.gz GOYSMCXAWJKRHY-NZQKXSOJSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361205239 1066536565 /nfs/dbraw/zinc/53/65/65/1066536565.db2.gz GOYSMCXAWJKRHY-REWPJTCUSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001361205567 1066536808 /nfs/dbraw/zinc/53/68/08/1066536808.db2.gz LUXSQHWQDYUHFF-CVDCTZTESA-N 1 0 489.437 4.578 20 30 JJEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001445190596 1066544385 /nfs/dbraw/zinc/54/43/85/1066544385.db2.gz QCHRFPNXHPQTCN-UHFFFAOYSA-N 1 0 459.638 4.570 20 30 JJEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001456487028 1066596890 /nfs/dbraw/zinc/59/68/90/1066596890.db2.gz DSNFCRYYMFTWSV-ICDZXHCJSA-N 1 0 459.615 4.961 20 30 JJEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492717118 1066883164 /nfs/dbraw/zinc/88/31/64/1066883164.db2.gz JWHLNJYZGDALIF-WOJBJXKFSA-N 1 0 488.684 4.560 20 30 JJEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492717754 1066884848 /nfs/dbraw/zinc/88/48/48/1066884848.db2.gz VKINRXUCUXLUJI-UHFFFAOYSA-N 1 0 488.684 4.562 20 30 JJEDRO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001457934122 1066943325 /nfs/dbraw/zinc/94/33/25/1066943325.db2.gz NCBXBKYFOPBFBA-DLBZAZTESA-N 1 0 454.430 4.874 20 30 JJEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829414 1066960394 /nfs/dbraw/zinc/96/03/94/1066960394.db2.gz LEUBAMIBYSTMAR-IEUSDUHPSA-N 1 0 479.068 4.843 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545804839 1067116960 /nfs/dbraw/zinc/11/69/60/1067116960.db2.gz CKXAPHGHHGPBKW-PGRDOPGGSA-N 1 0 456.610 4.664 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001545808189 1067132159 /nfs/dbraw/zinc/13/21/59/1067132159.db2.gz ULTVOXANSGWJHA-JXFKEZNVSA-N 1 0 461.452 4.670 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001545815154 1067144169 /nfs/dbraw/zinc/14/41/69/1067144169.db2.gz MYPWYLJIQKUNSA-AREMUKBSSA-N 1 0 477.701 4.890 20 30 JJEDRO CCC(CC)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545820010 1067156585 /nfs/dbraw/zinc/15/65/85/1067156585.db2.gz PZQCEVKURBONSI-RPLLCQBOSA-N 1 0 461.658 4.847 20 30 JJEDRO CCC(CC)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545820009 1067156666 /nfs/dbraw/zinc/15/66/66/1067156666.db2.gz PZQCEVKURBONSI-IGKIAQTJSA-N 1 0 461.658 4.847 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001545820165 1067157958 /nfs/dbraw/zinc/15/79/58/1067157958.db2.gz RZZYLQIBFWHVFI-AREMUKBSSA-N 1 0 495.691 4.715 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545821832 1067162361 /nfs/dbraw/zinc/16/23/61/1067162361.db2.gz MYUZBSWZLPAYPP-YPAWHYETSA-N 1 0 458.695 4.693 20 30 JJEDRO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001459317538 1067292726 /nfs/dbraw/zinc/29/27/26/1067292726.db2.gz LLHPZQFJWCSTBF-UHFFFAOYSA-N 1 0 454.492 4.650 20 30 JJEDRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001459748408 1067405000 /nfs/dbraw/zinc/40/50/00/1067405000.db2.gz ONQYJQQGIVOHLN-HXUWFJFHSA-N 1 0 452.558 4.903 20 30 JJEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771907 1067415619 /nfs/dbraw/zinc/41/56/19/1067415619.db2.gz OGBNXXDGVXJLHD-AQNXPRMDSA-N 1 0 450.652 4.668 20 30 JJEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842301 1067449677 /nfs/dbraw/zinc/44/96/77/1067449677.db2.gz GWPZENIWIGMCJM-RPWUZVMVSA-N 1 0 456.993 4.565 20 30 JJEDRO COc1ccc(C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862628 1067462499 /nfs/dbraw/zinc/46/24/99/1067462499.db2.gz DLHMUWKBUZOGII-SVBPBHIXSA-N 1 0 455.558 4.644 20 30 JJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001459867686 1067464708 /nfs/dbraw/zinc/46/47/08/1067464708.db2.gz KTADHUKHKWAMJJ-IAGOWNOFSA-N 1 0 450.608 4.693 20 30 JJEDRO COc1cc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001459931368 1067496472 /nfs/dbraw/zinc/49/64/72/1067496472.db2.gz NXCHIJSLWATXRX-DEOSSOPVSA-N 1 0 454.530 4.911 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1C#N ZINC001459939686 1067500125 /nfs/dbraw/zinc/50/01/25/1067500125.db2.gz YYWLVOBBNPEURS-SANMLTNESA-N 1 0 455.606 4.721 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015267 1067528290 /nfs/dbraw/zinc/52/82/90/1067528290.db2.gz IVEOKMQUYZEZBW-FGZHOGPDSA-N 1 0 456.631 4.565 20 30 JJEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(O)(c4ccccc4Cl)CC3)sc2C1 ZINC001460058478 1067541328 /nfs/dbraw/zinc/54/13/28/1067541328.db2.gz DZZCTICRCVRCCU-MRXNPFEDSA-N 1 0 458.027 4.710 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119265 1067559069 /nfs/dbraw/zinc/55/90/69/1067559069.db2.gz GSNURBJJEVCESC-LOSJGSFVSA-N 1 0 456.590 4.878 20 30 JJEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001460157515 1067566779 /nfs/dbraw/zinc/56/67/79/1067566779.db2.gz MJTLOPMWESZESR-MSOLQXFVSA-N 1 0 452.580 4.574 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCC2)CCS1 ZINC001546114850 1067584985 /nfs/dbraw/zinc/58/49/85/1067584985.db2.gz IIXBHNBELNKQEG-UHFFFAOYSA-N 1 0 452.672 4.803 20 30 JJEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001460239345 1067588788 /nfs/dbraw/zinc/58/87/88/1067588788.db2.gz FXHLVKNOIXCCCH-IBGZPJMESA-N 1 0 453.526 4.809 20 30 JJEDRO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001460341382 1067611971 /nfs/dbraw/zinc/61/19/71/1067611971.db2.gz GUIJFGFBGPEECJ-AQNXPRMDSA-N 1 0 450.652 4.810 20 30 JJEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1C#N ZINC001460728424 1067710812 /nfs/dbraw/zinc/71/08/12/1067710812.db2.gz HQFDRDCMGWYZSU-AWEZNQCLSA-N 1 0 459.447 4.808 20 30 JJEDRO CC1(C)CC[C@H](C[NH+](CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)O1 ZINC001460763904 1067718815 /nfs/dbraw/zinc/71/88/15/1067718815.db2.gz MSJADWJVOJBRGW-SNVBAGLBSA-N 1 0 453.317 4.589 20 30 JJEDRO C=CCC1(O)CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001460803416 1067727369 /nfs/dbraw/zinc/72/73/69/1067727369.db2.gz XRRMNKVVQKEADM-QFIPXVFZSA-N 1 0 450.406 4.863 20 30 JJEDRO C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460869225 1067738358 /nfs/dbraw/zinc/73/83/58/1067738358.db2.gz DHOWOPCCDBIGMU-RPLLCQBOSA-N 1 0 458.993 4.798 20 30 JJEDRO CN(C)c1ncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874876 1067740094 /nfs/dbraw/zinc/74/00/94/1067740094.db2.gz IOFLVTIOPLNHHA-GJZGRUSLSA-N 1 0 453.377 4.904 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCS1 ZINC001546121087 1067770958 /nfs/dbraw/zinc/77/09/58/1067770958.db2.gz KPSWDJXLTJZRAK-HSZRJFAPSA-N 1 0 496.725 4.961 20 30 JJEDRO COc1cc(C[NH2+]CCNc2ncccc2C#N)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461115183 1067784578 /nfs/dbraw/zinc/78/45/78/1067784578.db2.gz OVFAOPKLZDJPHU-UHFFFAOYSA-N 1 0 456.468 4.761 20 30 JJEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)ccc1OC ZINC001461196244 1067797619 /nfs/dbraw/zinc/79/76/19/1067797619.db2.gz FMZKLLCXSOHQRL-NRFANRHFSA-N 1 0 451.567 4.964 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1OCC ZINC001461654371 1067910888 /nfs/dbraw/zinc/91/08/88/1067910888.db2.gz FOQUWHFNAUJRKH-OAHLLOKOSA-N 1 0 457.409 4.758 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@@H]21 ZINC001461668602 1067914765 /nfs/dbraw/zinc/91/47/65/1067914765.db2.gz MRHVLMXVHDMGPV-WXFUMESZSA-N 1 0 452.643 4.536 20 30 JJEDRO CC1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001463826695 1068538977 /nfs/dbraw/zinc/53/89/77/1068538977.db2.gz VHEWOQQIEZEVCA-UHFFFAOYSA-N 1 0 451.014 4.553 20 30 JJEDRO C=CC[C@H]1CCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033766 1068595102 /nfs/dbraw/zinc/59/51/02/1068595102.db2.gz JZTZMIPJRUJBGD-KSNOWIBYSA-N 1 0 459.055 4.926 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164627002 719050436 /nfs/dbraw/zinc/05/04/36/719050436.db2.gz TVBLVWBTNPAOLK-XUZZJYLKSA-N 1 0 465.935 4.797 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164713003 720158388 /nfs/dbraw/zinc/15/83/88/720158388.db2.gz JJTHALCOOPXTGD-FQEVSTJZSA-N 1 0 479.987 4.801 20 30 JJEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CCC2 ZINC001164814047 720225621 /nfs/dbraw/zinc/22/56/21/720225621.db2.gz RRDQWCPRZWABDR-UHFFFAOYSA-N 1 0 484.629 4.642 20 30 JJEDRO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722596 720383084 /nfs/dbraw/zinc/38/30/84/720383084.db2.gz DPDBYUKMRCPSIA-URLMMPGGSA-N 1 0 492.602 4.671 20 30 JJEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730948 720416355 /nfs/dbraw/zinc/41/63/55/720416355.db2.gz KALHUEUNRWDDRC-DNQXCXABSA-N 1 0 475.713 4.543 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842754 720699420 /nfs/dbraw/zinc/69/94/20/720699420.db2.gz NCVDSPBBROGDKV-VWNXMTODSA-N 1 0 471.580 4.531 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749000 720873577 /nfs/dbraw/zinc/87/35/77/720873577.db2.gz GBAWAIHTJJEQAG-YZNIXAGQSA-N 1 0 497.618 4.909 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751412 720912915 /nfs/dbraw/zinc/91/29/15/720912915.db2.gz MHGMGLAFFQKKKP-UFHPHHKVSA-N 1 0 485.657 4.832 20 30 JJEDRO N#Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749175 720931133 /nfs/dbraw/zinc/93/11/33/720931133.db2.gz IEADNKZPBNVUSV-NEKDWFFYSA-N 1 0 488.035 4.910 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763304 721144294 /nfs/dbraw/zinc/14/42/94/721144294.db2.gz FASRWQVVNIMUTC-UNMCSNQZSA-N 1 0 454.603 4.527 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768951 721250862 /nfs/dbraw/zinc/25/08/62/721250862.db2.gz ZDPHQRXAIHEAOU-JKSUJKDBSA-N 1 0 491.373 4.650 20 30 JJEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886628 721415495 /nfs/dbraw/zinc/41/54/95/721415495.db2.gz KIANHEYOZYEOFH-NEKDWFFYSA-N 1 0 487.673 4.600 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164791699 721474544 /nfs/dbraw/zinc/47/45/44/721474544.db2.gz XRFJMOOKXLTPHR-OAQYLSRUSA-N 1 0 483.056 4.802 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906616 721567762 /nfs/dbraw/zinc/56/77/62/721567762.db2.gz KIEOTSMSPMRTCP-PZJWPPBQSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164909869 721726120 /nfs/dbraw/zinc/72/61/20/721726120.db2.gz DZPNXBWBSOYTFR-QHCPKHFHSA-N 1 0 451.546 4.814 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001165024209 721813620 /nfs/dbraw/zinc/81/36/20/721813620.db2.gz JULWGOLWWKTLRU-NYQDVAGCSA-N 1 0 476.987 4.940 20 30 JJEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955815 722012696 /nfs/dbraw/zinc/01/26/96/722012696.db2.gz ZRZIMAWDWPQVAZ-UHFFFAOYSA-N 1 0 452.336 4.692 20 30 JJEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958875 722024516 /nfs/dbraw/zinc/02/45/16/722024516.db2.gz GNWHEDOECMVQDH-UHFFFAOYSA-N 1 0 460.969 4.681 20 30 JJEDRO N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975669 722122433 /nfs/dbraw/zinc/12/24/33/722122433.db2.gz KGACOUQFWGKANO-DHLKQENFSA-N 1 0 481.625 4.957 20 30 JJEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359747759 1064330360 /nfs/dbraw/zinc/33/03/60/1064330360.db2.gz HXLFCKRSTHYMFC-GMAHTHKFSA-N 1 0 452.672 4.515 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359848867 1064534879 /nfs/dbraw/zinc/53/48/79/1064534879.db2.gz FASKZKJJKMNCLH-OAQYLSRUSA-N 1 0 484.092 4.593 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359849529 1064536129 /nfs/dbraw/zinc/53/61/29/1064536129.db2.gz LJFGTUMJDLHWIK-OAQYLSRUSA-N 1 0 498.119 4.839 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359850549 1064537156 /nfs/dbraw/zinc/53/71/56/1064537156.db2.gz XIGXIBCEDJLPPY-VWLOTQADSA-N 1 0 498.119 4.839 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359926642 1064660460 /nfs/dbraw/zinc/66/04/60/1064660460.db2.gz WKPUCFVCAKFDCM-IBGZPJMESA-N 1 0 485.474 4.958 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359927184 1064663116 /nfs/dbraw/zinc/66/31/16/1064663116.db2.gz PYUVPTKNJPXKBB-DEOSSOPVSA-N 1 0 480.657 4.603 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001359947520 1064696400 /nfs/dbraw/zinc/69/64/00/1064696400.db2.gz NMCSCXZDMLWPPY-UHFFFAOYSA-N 1 0 478.685 4.828 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001359947824 1064697861 /nfs/dbraw/zinc/69/78/61/1064697861.db2.gz DQCZVNIVEHATQX-JOCHJYFZSA-N 1 0 464.658 4.723 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001359949001 1064701715 /nfs/dbraw/zinc/70/17/15/1064701715.db2.gz VHXDTUFFJVFCBX-UHFFFAOYSA-N 1 0 459.642 4.550 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001435339081 1064709591 /nfs/dbraw/zinc/70/95/91/1064709591.db2.gz KNOUFYVXPLUYLH-ATIYNZHBSA-N 1 0 455.606 4.721 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360007708 1064795140 /nfs/dbraw/zinc/79/51/40/1064795140.db2.gz GIUIQAYMJGDPOX-MOPGFXCFSA-N 1 0 460.573 4.653 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360010910 1064805417 /nfs/dbraw/zinc/80/54/17/1064805417.db2.gz YAXBSMCCFFHOPN-NRFANRHFSA-N 1 0 452.672 4.517 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)C1 ZINC001360012072 1064808358 /nfs/dbraw/zinc/80/83/58/1064808358.db2.gz LYVPJZMQHXKVQL-QFIPXVFZSA-N 1 0 452.647 4.579 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567481 1064838608 /nfs/dbraw/zinc/83/86/08/1064838608.db2.gz UVFWTIKZAMRMJD-SJORKVTESA-N 1 0 450.073 4.960 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034484 1064839341 /nfs/dbraw/zinc/83/93/41/1064839341.db2.gz FWGJGRSXODSHGV-IBGZPJMESA-N 1 0 491.467 4.739 20 30 JJEDRO CC(C)CSCCn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360083611 1064945982 /nfs/dbraw/zinc/94/59/82/1064945982.db2.gz MRVAAZRGDASTPD-UHFFFAOYSA-N 1 0 452.672 4.519 20 30 JJEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749422 1064972910 /nfs/dbraw/zinc/97/29/10/1064972910.db2.gz MXCRRXCOTIJTLJ-YJYMSZOUSA-N 1 0 450.739 4.536 20 30 JJEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 ZINC001360097255 1064974113 /nfs/dbraw/zinc/97/41/13/1064974113.db2.gz AZTJUCBZFJMYIX-UHFFFAOYSA-N 1 0 465.465 4.629 20 30 JJEDRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001360133978 1065029641 /nfs/dbraw/zinc/02/96/41/1065029641.db2.gz AGSDGIOKDVXCND-QFIPXVFZSA-N 1 0 483.419 4.725 20 30 JJEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CC1 ZINC001436066560 1065156271 /nfs/dbraw/zinc/15/62/71/1065156271.db2.gz WJTIPSLGRBNAPY-UHFFFAOYSA-N 1 0 452.374 4.692 20 30 JJEDRO CC(C)SCCn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360423346 1065290657 /nfs/dbraw/zinc/29/06/57/1065290657.db2.gz SSCLMTVYBMGASP-UHFFFAOYSA-N 1 0 466.699 4.736 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001360470528 1065388959 /nfs/dbraw/zinc/38/89/59/1065388959.db2.gz RFACFUDXGSIJJY-SFHVURJKSA-N 1 0 490.624 4.646 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360480647 1065398919 /nfs/dbraw/zinc/39/89/19/1065398919.db2.gz DRWQORYKHLNQMB-IECBHUPTSA-N 1 0 482.629 4.879 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360483561 1065403867 /nfs/dbraw/zinc/40/38/67/1065403867.db2.gz YVYNFYYIWSRNDB-JMJGKCIBSA-N 1 0 456.679 4.732 20 30 JJEDRO C[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360504926 1065438256 /nfs/dbraw/zinc/43/82/56/1065438256.db2.gz FFFQADOEWLCELV-KSFYIVLOSA-N 1 0 493.400 4.553 20 30 JJEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001436843181 1065450217 /nfs/dbraw/zinc/45/02/17/1065450217.db2.gz GWKKJQJSAHPSTN-SHQCIBLASA-N 1 0 455.558 4.617 20 30 JJEDRO C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521673 1065496449 /nfs/dbraw/zinc/49/64/49/1065496449.db2.gz XQHJVLUEGBNYFL-RXVVDRJESA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521671 1065496494 /nfs/dbraw/zinc/49/64/94/1065496494.db2.gz XQHJVLUEGBNYFL-GHTZIAJQSA-N 1 0 463.655 4.634 20 30 JJEDRO Cc1cc(Br)cc2cc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)oc21 ZINC001437241594 1065524520 /nfs/dbraw/zinc/52/45/20/1065524520.db2.gz GMIUEKOBSUUGAZ-UHFFFAOYSA-N 1 0 452.352 4.770 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001437242946 1065524887 /nfs/dbraw/zinc/52/48/87/1065524887.db2.gz JGOXQDFLXLUGSY-UHFFFAOYSA-N 1 0 453.586 4.851 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC001360583899 1065582243 /nfs/dbraw/zinc/58/22/43/1065582243.db2.gz MWMSWNVFLKZHIH-INIZCTEOSA-N 1 0 471.030 4.563 20 30 JJEDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 ZINC001360770547 1065866622 /nfs/dbraw/zinc/86/66/22/1065866622.db2.gz YZJGYKYPOYNXQA-IBGZPJMESA-N 1 0 480.588 4.627 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360775504 1065878092 /nfs/dbraw/zinc/87/80/92/1065878092.db2.gz VPGDQBCIJFYDPB-IATMXGELSA-N 1 0 468.621 4.808 20 30 JJEDRO CC1(C#N)CCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360787908 1065901521 /nfs/dbraw/zinc/90/15/21/1065901521.db2.gz GSSWWIHPXGPGCE-UHFFFAOYSA-N 1 0 471.447 4.714 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360874652 1066014612 /nfs/dbraw/zinc/01/46/12/1066014612.db2.gz NUQONMPEIJPAIF-HRRBBWQUSA-N 1 0 464.658 4.897 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001360908573 1066064113 /nfs/dbraw/zinc/06/41/13/1066064113.db2.gz GEMUBWIXLANFNE-LJQANCHMSA-N 1 0 450.073 4.819 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001360908572 1066064235 /nfs/dbraw/zinc/06/42/35/1066064235.db2.gz GEMUBWIXLANFNE-IBGZPJMESA-N 1 0 450.073 4.819 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001442925566 1066241949 /nfs/dbraw/zinc/24/19/49/1066241949.db2.gz BIFOYAXWKRNJFG-OAQYLSRUSA-N 1 0 450.023 4.571 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361032309 1066245789 /nfs/dbraw/zinc/24/57/89/1066245789.db2.gz QCEMSDZKDJRRJW-YIXXDRMTSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045247 1066269337 /nfs/dbraw/zinc/26/93/37/1066269337.db2.gz RBQUMJDEOLKIMB-CYFREDJKSA-N 1 0 471.609 4.987 20 30 JJEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C(C)C ZINC001443422119 1066309522 /nfs/dbraw/zinc/30/95/22/1066309522.db2.gz FEVBZMQAFWNLJD-GOSISDBHSA-N 1 0 458.238 4.569 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001361087242 1066325897 /nfs/dbraw/zinc/32/58/97/1066325897.db2.gz DDSBVGBJPAXWSQ-XXBNENTESA-N 1 0 487.092 4.968 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361130283 1066395028 /nfs/dbraw/zinc/39/50/28/1066395028.db2.gz LJSJCRJNJMGUKA-GOTSBHOMSA-N 1 0 494.684 4.528 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361152733 1066447215 /nfs/dbraw/zinc/44/72/15/1066447215.db2.gz QAICVOWQDPNEDU-JOCHJYFZSA-N 1 0 478.666 4.968 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361155329 1066454152 /nfs/dbraw/zinc/45/41/52/1066454152.db2.gz SBNTZIIAEGZNAX-XXAUWVGASA-N 1 0 482.648 4.674 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361155327 1066454419 /nfs/dbraw/zinc/45/44/19/1066454419.db2.gz SBNTZIIAEGZNAX-UMTXDNHDSA-N 1 0 482.648 4.674 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361155959 1066456906 /nfs/dbraw/zinc/45/69/06/1066456906.db2.gz JPYHJQGFTKFDEX-WHCXKFMVSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361156315 1066458976 /nfs/dbraw/zinc/45/89/76/1066458976.db2.gz SGPMXHAYZIEGRW-KCWPFWIISA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001361175540 1066493496 /nfs/dbraw/zinc/49/34/96/1066493496.db2.gz QNYMAUKCVFXZMJ-OTWHNJEPSA-N 1 0 487.490 4.980 20 30 JJEDRO Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492666490 1066791827 /nfs/dbraw/zinc/79/18/27/1066791827.db2.gz VYAYCMMXGRXTAP-FQEVSTJZSA-N 1 0 477.682 4.797 20 30 JJEDRO CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCCC1 ZINC001546012947 1066996659 /nfs/dbraw/zinc/99/66/59/1066996659.db2.gz RNWIUDXGOFSLJC-IFMALSPDSA-N 1 0 452.647 4.625 20 30 JJEDRO N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450139058 1067053036 /nfs/dbraw/zinc/05/30/36/1067053036.db2.gz HXJUKRJJMHQNNO-WUFINQPMSA-N 1 0 452.602 4.847 20 30 JJEDRO CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001545798044 1067098386 /nfs/dbraw/zinc/09/83/86/1067098386.db2.gz FDBWNQMTHDGVLQ-VWLOTQADSA-N 1 0 464.658 4.723 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545807852 1067128807 /nfs/dbraw/zinc/12/88/07/1067128807.db2.gz OYCJODWQOAONDQ-VWLOTQADSA-N 1 0 462.642 4.500 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC001545807866 1067129518 /nfs/dbraw/zinc/12/95/18/1067129518.db2.gz OZUIRTMSVKKWFK-QHCPKHFHSA-N 1 0 485.076 4.866 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807888 1067129673 /nfs/dbraw/zinc/12/96/73/1067129673.db2.gz PEMAXDUIYUSEFW-KCWPFWIISA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001545809677 1067136269 /nfs/dbraw/zinc/13/62/69/1067136269.db2.gz IGJJVAPOMVYSFR-SANMLTNESA-N 1 0 489.668 4.569 20 30 JJEDRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001545815155 1067144246 /nfs/dbraw/zinc/14/42/46/1067144246.db2.gz MYPWYLJIQKUNSA-SANMLTNESA-N 1 0 477.701 4.890 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545819243 1067153541 /nfs/dbraw/zinc/15/35/41/1067153541.db2.gz CAIQXZBKUWGODO-ISKFKSNPSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820222 1067157970 /nfs/dbraw/zinc/15/79/70/1067157970.db2.gz TUVMWSXWPFPMDX-ZPMCFJSWSA-N 1 0 492.590 4.730 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545822011 1067163051 /nfs/dbraw/zinc/16/30/51/1067163051.db2.gz QVPFSCNFYCLNGF-PIXQIBFHSA-N 1 0 458.695 4.693 20 30 JJEDRO CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546104733 1067196539 /nfs/dbraw/zinc/19/65/39/1067196539.db2.gz HRFMLAAVBWKVLQ-OYRHEFFESA-N 1 0 464.658 4.721 20 30 JJEDRO C=CC[C@@H]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001452997326 1067272595 /nfs/dbraw/zinc/27/25/95/1067272595.db2.gz DJYXWWWVKQBTBG-JOCHJYFZSA-N 1 0 455.643 4.751 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001459538530 1067347457 /nfs/dbraw/zinc/34/74/57/1067347457.db2.gz GJHOWQJFGCDVNJ-AGILITTLSA-N 1 0 452.574 4.569 20 30 JJEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001459606853 1067361912 /nfs/dbraw/zinc/36/19/12/1067361912.db2.gz WLYQJOCGQHIGPJ-TZIWHRDSSA-N 1 0 450.652 4.812 20 30 JJEDRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001459748406 1067404974 /nfs/dbraw/zinc/40/49/74/1067404974.db2.gz ONQYJQQGIVOHLN-FQEVSTJZSA-N 1 0 452.558 4.903 20 30 JJEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2csc(Br)c2)C2CC2)sc2c1CCC2 ZINC001459798292 1067428571 /nfs/dbraw/zinc/42/85/71/1067428571.db2.gz OQTBSYXHYXQZBP-UHFFFAOYSA-N 1 0 450.427 4.926 20 30 JJEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842300 1067449519 /nfs/dbraw/zinc/44/95/19/1067449519.db2.gz GWPZENIWIGMCJM-DNQXCXABSA-N 1 0 456.993 4.565 20 30 JJEDRO COc1ccc(C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862632 1067462476 /nfs/dbraw/zinc/46/24/76/1067462476.db2.gz DLHMUWKBUZOGII-SXOMAYOGSA-N 1 0 455.558 4.644 20 30 JJEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@](C)(CCCC)c2cccc(Br)c2)c1 ZINC001460049402 1067539400 /nfs/dbraw/zinc/53/94/00/1067539400.db2.gz HBZNXMJYDQDPQD-HSZRJFAPSA-N 1 0 456.384 4.774 20 30 JJEDRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC001460388220 1067624308 /nfs/dbraw/zinc/62/43/08/1067624308.db2.gz FUVJGOSUEJNUJT-ZEQRLZLVSA-N 1 0 465.594 4.848 20 30 JJEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)COCC2CCCCC2)c1C#N ZINC001460812668 1067728636 /nfs/dbraw/zinc/72/86/36/1067728636.db2.gz DDXAZBRFJTUCLN-GOSISDBHSA-N 1 0 454.590 4.678 20 30 JJEDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)cc1 ZINC001461049809 1067769587 /nfs/dbraw/zinc/76/95/87/1067769587.db2.gz IHZIHMIJXWFABJ-UHFFFAOYSA-N 1 0 452.602 4.551 20 30 JJEDRO C=CCc1cc(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)cc(OC)c1OC ZINC001461179415 1067793970 /nfs/dbraw/zinc/79/39/70/1067793970.db2.gz GACNRMZYLDPHAG-UHFFFAOYSA-N 1 0 456.384 4.979 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001461217916 1067801788 /nfs/dbraw/zinc/80/17/88/1067801788.db2.gz NKJHUVQBHZBOGY-INIZCTEOSA-N 1 0 455.393 4.512 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@H]21 ZINC001461668600 1067914648 /nfs/dbraw/zinc/91/46/48/1067914648.db2.gz MRHVLMXVHDMGPV-SMIHKQSGSA-N 1 0 452.643 4.536 20 30 JJEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291564 1068044964 /nfs/dbraw/zinc/04/49/64/1068044964.db2.gz GVVZOMAIPOBGGH-ZJSXRUAMSA-N 1 0 452.982 4.879 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)s1 ZINC001462642597 1068122498 /nfs/dbraw/zinc/12/24/98/1068122498.db2.gz KWVVJKYLYGUOTE-XXBNENTESA-N 1 0 462.084 4.819 20 30 JJEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001462920989 1068214806 /nfs/dbraw/zinc/21/48/06/1068214806.db2.gz FXRLTHIFRBFQCH-LJQANCHMSA-N 1 0 459.921 4.592 20 30 JJEDRO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001464072187 1068605605 /nfs/dbraw/zinc/60/56/05/1068605605.db2.gz IAHUKEOXQMMETR-NXVVXOECSA-N 1 0 453.586 4.690 20 30 JJEDRO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464398154 1068731443 /nfs/dbraw/zinc/73/14/43/1068731443.db2.gz IRQAUEURKHMFTI-QFQXNSOFSA-N 1 0 453.590 4.863 20 30 JJEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475853 1068760195 /nfs/dbraw/zinc/76/01/95/1068760195.db2.gz SBCRTRZXHOEZJY-QHCPKHFHSA-N 1 0 453.533 4.597 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001464603201 1068796885 /nfs/dbraw/zinc/79/68/85/1068796885.db2.gz FYBHQADXTIEQFK-UHFFFAOYSA-N 1 0 458.509 4.905 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164627003 719050093 /nfs/dbraw/zinc/05/00/93/719050093.db2.gz TVBLVWBTNPAOLK-ZJSXRUAMSA-N 1 0 465.935 4.797 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164709967 720096568 /nfs/dbraw/zinc/09/65/68/720096568.db2.gz DPLZXZFGDCCXPD-KRWDZBQOSA-N 1 0 496.389 4.707 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164710206 720098427 /nfs/dbraw/zinc/09/84/27/720098427.db2.gz HDYJENPIWMOLKH-VWLOTQADSA-N 1 0 471.580 4.662 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164714850 720143600 /nfs/dbraw/zinc/14/36/00/720143600.db2.gz ZVIVVUDXLFIXKA-JOCHJYFZSA-N 1 0 459.619 4.584 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164714835 720144368 /nfs/dbraw/zinc/14/43/68/720144368.db2.gz ZSGKGQIFWXJODB-HHHXNRCGSA-N 1 0 497.643 4.629 20 30 JJEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164749591 720894513 /nfs/dbraw/zinc/89/45/13/720894513.db2.gz AIEBTXBQDUKDBV-SHQCIBLASA-N 1 0 480.056 4.709 20 30 JJEDRO N#Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749171 720931782 /nfs/dbraw/zinc/93/17/82/720931782.db2.gz IEADNKZPBNVUSV-FIPFOOKPSA-N 1 0 488.035 4.910 20 30 JJEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864065 721095793 /nfs/dbraw/zinc/09/57/93/721095793.db2.gz DXKFKABBXXFPOM-DHIUTWEWSA-N 1 0 467.598 4.710 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164870589 721194838 /nfs/dbraw/zinc/19/48/38/721194838.db2.gz VUOCAAQZZCMMJO-PKTZIBPZSA-N 1 0 495.961 4.693 20 30 JJEDRO N#Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909063 721733979 /nfs/dbraw/zinc/73/39/79/721733979.db2.gz ANZPTDLVXUEGMV-HSZRJFAPSA-N 1 0 453.924 4.893 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027808 721817019 /nfs/dbraw/zinc/81/70/19/721817019.db2.gz VYYRGADTSQXHOI-NKKJXINNSA-N 1 0 470.646 4.869 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]21 ZINC001165023191 721830644 /nfs/dbraw/zinc/83/06/44/721830644.db2.gz IGTRGCNVQDNBMX-UEVCKROQSA-N 1 0 474.996 4.926 20 30 JJEDRO N#C[C@@H](c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047375 721975953 /nfs/dbraw/zinc/97/59/53/721975953.db2.gz FUGXYNCZOWZBJC-OFVILXPXSA-N 1 0 489.645 4.513 20 30 JJEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164964992 722024539 /nfs/dbraw/zinc/02/45/39/722024539.db2.gz YKJBBJYNAPABIA-UHFFFAOYSA-N 1 0 460.969 4.681 20 30 JJEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164965686 722062729 /nfs/dbraw/zinc/06/27/29/722062729.db2.gz LLQQRZDQKQJKNO-UHFFFAOYSA-N 1 0 479.987 4.721 20 30 JJEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972649 722159511 /nfs/dbraw/zinc/15/95/11/722159511.db2.gz IUYFYOKYZHVSIV-UWJYYQICSA-N 1 0 468.388 4.536 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359712022 1064260453 /nfs/dbraw/zinc/26/04/53/1064260453.db2.gz BRZJNBNUJRMMIZ-UHFFFAOYSA-N 1 0 481.695 4.624 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001359764834 1064385456 /nfs/dbraw/zinc/38/54/56/1064385456.db2.gz KMBMJUOGWBHZMK-NRFANRHFSA-N 1 0 498.473 4.530 20 30 JJEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435078214 1064500934 /nfs/dbraw/zinc/50/09/34/1064500934.db2.gz GJBODSUJMYOBDK-UHFFFAOYSA-N 1 0 456.377 4.563 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001359947769 1064697895 /nfs/dbraw/zinc/69/78/95/1064697895.db2.gz PGIQKNSXZBSNOA-UHFFFAOYSA-N 1 0 479.629 4.741 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360008247 1064796422 /nfs/dbraw/zinc/79/64/22/1064796422.db2.gz NOMYMGLSZTYYNO-FDDCHVKYSA-N 1 0 488.478 4.534 20 30 JJEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001435515635 1064799334 /nfs/dbraw/zinc/79/93/34/1064799334.db2.gz ZYRUIKLDYGLRAL-UHFFFAOYSA-N 1 0 458.522 4.529 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)C1 ZINC001360035620 1064841173 /nfs/dbraw/zinc/84/11/73/1064841173.db2.gz OIWRUJUPEDEWGN-HXUWFJFHSA-N 1 0 491.467 4.739 20 30 JJEDRO CC(C)CSCCCn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360077079 1064929573 /nfs/dbraw/zinc/92/95/73/1064929573.db2.gz YSOHIACQRKLYRY-UHFFFAOYSA-N 1 0 491.709 4.647 20 30 JJEDRO N#Cc1ccc(Oc2cccc(C(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)c2)cc1 ZINC001435714102 1064952058 /nfs/dbraw/zinc/95/20/58/1064952058.db2.gz KKAFTHZSKRQNGD-UHFFFAOYSA-N 1 0 455.558 4.798 20 30 JJEDRO CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360122296 1065011331 /nfs/dbraw/zinc/01/13/31/1065011331.db2.gz BNUAIFQIWNHJHM-UHFFFAOYSA-N 1 0 491.709 4.567 20 30 JJEDRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1)C(C)C ZINC001360127038 1065021281 /nfs/dbraw/zinc/02/12/81/1065021281.db2.gz ZWZFTNQQPSEUII-IZZNHLLZSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001360129645 1065025164 /nfs/dbraw/zinc/02/51/64/1065025164.db2.gz YLDVONXBCYJSEI-UHFFFAOYSA-N 1 0 473.463 4.956 20 30 JJEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC001436068266 1065157475 /nfs/dbraw/zinc/15/74/75/1065157475.db2.gz RXMWZUOFJVMMRG-UHFFFAOYSA-N 1 0 458.993 4.806 20 30 JJEDRO CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360385334 1065248094 /nfs/dbraw/zinc/24/80/94/1065248094.db2.gz CPADQVTVFTXMCO-DEOSSOPVSA-N 1 0 464.658 4.724 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001360409316 1065272703 /nfs/dbraw/zinc/27/27/03/1065272703.db2.gz DCTPCLOGMHATLF-JOCHJYFZSA-N 1 0 486.611 4.579 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001360469363 1065384668 /nfs/dbraw/zinc/38/46/68/1065384668.db2.gz BIMOGYYRMCPGGN-CVEARBPZSA-N 1 0 489.443 4.938 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360470103 1065386883 /nfs/dbraw/zinc/38/68/83/1065386883.db2.gz LLMDBCVCCZXVIR-RDTXWAMCSA-N 1 0 491.821 4.995 20 30 JJEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505005 1065438115 /nfs/dbraw/zinc/43/81/15/1065438115.db2.gz GJPULDAQPVXPMY-XUZZJYLKSA-N 1 0 464.658 4.865 20 30 JJEDRO C[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCCC1 ZINC001360505589 1065441476 /nfs/dbraw/zinc/44/14/76/1065441476.db2.gz QYAQBRAXIPOLDV-DLBZAZTESA-N 1 0 477.426 4.850 20 30 JJEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C[NH+]1CCCC1 ZINC001360595291 1065606661 /nfs/dbraw/zinc/60/66/61/1065606661.db2.gz YYEDTHYLQOYVOA-NRFANRHFSA-N 1 0 464.658 4.518 20 30 JJEDRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001360596419 1065609208 /nfs/dbraw/zinc/60/92/08/1065609208.db2.gz AKAODIYSQPSRIR-YZIHRLCOSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360598346 1065617549 /nfs/dbraw/zinc/61/75/49/1065617549.db2.gz XNXWUWBWOGWRJU-GOSISDBHSA-N 1 0 460.548 4.717 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602089 1065626161 /nfs/dbraw/zinc/62/61/61/1065626161.db2.gz MDZRNEMGYGDWQL-YADHBBJMSA-N 1 0 464.658 4.723 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001360644920 1065719338 /nfs/dbraw/zinc/71/93/38/1065719338.db2.gz DOLOCQWLUVIFEZ-CUIZVGEVSA-N 1 0 482.648 4.768 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360741524 1065775639 /nfs/dbraw/zinc/77/56/39/1065775639.db2.gz PZWDAUHPHVKISF-UXHICEINSA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360755544 1065808782 /nfs/dbraw/zinc/80/87/82/1065808782.db2.gz FOCXAIWAYOJQCY-SFHVURJKSA-N 1 0 457.022 4.686 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001360768167 1065858112 /nfs/dbraw/zinc/85/81/12/1065858112.db2.gz YJNPKWRLHGUEOM-OAQYLSRUSA-N 1 0 468.621 4.953 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360770516 1065866917 /nfs/dbraw/zinc/86/69/17/1065866917.db2.gz YRKOBJYZHHIIDH-LJQANCHMSA-N 1 0 454.594 4.562 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360808039 1065920004 /nfs/dbraw/zinc/92/00/04/1065920004.db2.gz DFURCUYQUAVARA-UHFFFAOYSA-N 1 0 471.447 4.570 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)C1 ZINC001360808987 1065923285 /nfs/dbraw/zinc/92/32/85/1065923285.db2.gz YKVKCHWJBXQWRT-UHFFFAOYSA-N 1 0 471.049 4.763 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360851579 1065964916 /nfs/dbraw/zinc/96/49/16/1065964916.db2.gz MWLRPVXTTLYMNM-LJQANCHMSA-N 1 0 483.458 4.960 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360851578 1065965047 /nfs/dbraw/zinc/96/50/47/1065965047.db2.gz MWLRPVXTTLYMNM-IBGZPJMESA-N 1 0 483.458 4.960 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360872783 1066006765 /nfs/dbraw/zinc/00/67/65/1066006765.db2.gz AMJRQODVOOXHFS-KCVHQNEMSA-N 1 0 468.621 4.599 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360874658 1066015137 /nfs/dbraw/zinc/01/51/37/1066015137.db2.gz NUQONMPEIJPAIF-OSADXMDESA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)C[NH+](C)C ZINC001360907278 1066061768 /nfs/dbraw/zinc/06/17/68/1066061768.db2.gz APIVMMMIBFMLBI-QGZVFWFLSA-N 1 0 451.644 4.561 20 30 JJEDRO Cc1csc(SCc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC001442633435 1066146340 /nfs/dbraw/zinc/14/63/40/1066146340.db2.gz JQXHTOGBXACENN-UHFFFAOYSA-N 1 0 450.633 4.820 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360989460 1066161311 /nfs/dbraw/zinc/16/13/11/1066161311.db2.gz FNKSFRIVIIQNBD-LJQANCHMSA-N 1 0 471.049 4.913 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1([NH+](C)C)CCC1 ZINC001360989459 1066161348 /nfs/dbraw/zinc/16/13/48/1066161348.db2.gz FNKSFRIVIIQNBD-IBGZPJMESA-N 1 0 471.049 4.913 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361026648 1066226909 /nfs/dbraw/zinc/22/69/09/1066226909.db2.gz DVRMXWVVXFLYAU-SANMLTNESA-N 1 0 468.621 4.571 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361027304 1066229382 /nfs/dbraw/zinc/22/93/82/1066229382.db2.gz AWWHFNRERPAXPN-QHCPKHFHSA-N 1 0 464.658 4.869 20 30 JJEDRO C=CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCCN1C(=O)OC(C)(C)C ZINC001442912301 1066239625 /nfs/dbraw/zinc/23/96/25/1066239625.db2.gz WUNSKGVLAWHMBY-MHZLTWQESA-N 1 0 455.643 4.881 20 30 JJEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454122689 1066248654 /nfs/dbraw/zinc/24/86/54/1066248654.db2.gz UFUSPSDJNNFODO-PKTZIBPZSA-N 1 0 455.643 4.655 20 30 JJEDRO Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045249 1066269559 /nfs/dbraw/zinc/26/95/59/1066269559.db2.gz RBQUMJDEOLKIMB-NTKDMRAZSA-N 1 0 471.609 4.987 20 30 JJEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001454538736 1066297222 /nfs/dbraw/zinc/29/72/22/1066297222.db2.gz KULIJFWDXSUWDY-OALUTQOASA-N 1 0 457.537 4.674 20 30 JJEDRO Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)cc(N2CCCC2)[nH+]1 ZINC001361071191 1066311498 /nfs/dbraw/zinc/31/14/98/1066311498.db2.gz FBNPNEXYDLNPSM-INIZCTEOSA-N 1 0 467.980 4.685 20 30 JJEDRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001545959062 1066316297 /nfs/dbraw/zinc/31/62/97/1066316297.db2.gz PFIBRNIZILCTRT-YADARESESA-N 1 0 458.557 4.551 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001361087240 1066325856 /nfs/dbraw/zinc/32/58/56/1066325856.db2.gz DDSBVGBJPAXWSQ-CVDCTZTESA-N 1 0 487.092 4.968 20 30 JJEDRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001545960927 1066346996 /nfs/dbraw/zinc/34/69/96/1066346996.db2.gz LZNWKIFXRAPBCS-FQEVSTJZSA-N 1 0 471.447 4.712 20 30 JJEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001443809858 1066370832 /nfs/dbraw/zinc/37/08/32/1066370832.db2.gz ZGSFQWTYLUUIBD-SANMLTNESA-N 1 0 454.574 4.659 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361123316 1066373349 /nfs/dbraw/zinc/37/33/49/1066373349.db2.gz XISUXDCHKRQUJX-FCHUYYIVSA-N 1 0 452.647 4.759 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361128147 1066391178 /nfs/dbraw/zinc/39/11/78/1066391178.db2.gz TYNOKFPXOFERFW-RRPNLBNLSA-N 1 0 496.725 4.856 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001444083457 1066402357 /nfs/dbraw/zinc/40/23/57/1066402357.db2.gz CEIRNAWTPFPRDQ-AZUAARDMSA-N 1 0 450.023 4.802 20 30 JJEDRO CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001545966603 1066444089 /nfs/dbraw/zinc/44/40/89/1066444089.db2.gz HHGGRVDFJZYQRB-QFIPXVFZSA-N 1 0 480.657 4.745 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361155901 1066456339 /nfs/dbraw/zinc/45/63/39/1066456339.db2.gz IOJSYWMVWTWVCQ-HOFKKMOUSA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361155956 1066456736 /nfs/dbraw/zinc/45/67/36/1066456736.db2.gz JPYHJQGFTKFDEX-JEYPMZLKSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001361171822 1066487955 /nfs/dbraw/zinc/48/79/55/1066487955.db2.gz WRRIMVCMHZQEDF-GOSISDBHSA-N 1 0 473.463 4.876 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001361175539 1066492725 /nfs/dbraw/zinc/49/27/25/1066492725.db2.gz QNYMAUKCVFXZMJ-GUDVDZBRSA-N 1 0 487.490 4.980 20 30 JJEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001445051120 1066533642 /nfs/dbraw/zinc/53/36/42/1066533642.db2.gz SEXYEIBNPPEVQF-FQEVSTJZSA-N 1 0 455.562 4.538 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001361205234 1066536464 /nfs/dbraw/zinc/53/64/64/1066536464.db2.gz GOTUTFXALYKGJP-JOCHJYFZSA-N 1 0 477.426 4.577 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001361205569 1066536979 /nfs/dbraw/zinc/53/69/79/1066536979.db2.gz LUXSQHWQDYUHFF-XXBNENTESA-N 1 0 489.437 4.578 20 30 JJEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001456482957 1066595096 /nfs/dbraw/zinc/59/50/96/1066595096.db2.gz RORDCEMYVPEUJB-HSZRJFAPSA-N 1 0 455.643 4.850 20 30 JJEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001446323700 1066690428 /nfs/dbraw/zinc/69/04/28/1066690428.db2.gz OPGFGPYEBXWXMP-VWLOTQADSA-N 1 0 456.590 4.798 20 30 JJEDRO Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492666491 1066791920 /nfs/dbraw/zinc/79/19/20/1066791920.db2.gz VYAYCMMXGRXTAP-HXUWFJFHSA-N 1 0 477.682 4.797 20 30 JJEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001458086638 1066971091 /nfs/dbraw/zinc/97/10/91/1066971091.db2.gz VHDXENCLHHGVCJ-UHFFFAOYSA-N 1 0 455.440 4.746 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001449271993 1066994420 /nfs/dbraw/zinc/99/44/20/1066994420.db2.gz ZESZXSIWNCATJD-RBUKOAKNSA-N 1 0 458.430 4.875 20 30 JJEDRO CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736936 1067001308 /nfs/dbraw/zinc/00/13/08/1067001308.db2.gz XPEKLKFOOBOUDC-AOHZBQACSA-N 1 0 478.685 4.838 20 30 JJEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC001458294517 1067023585 /nfs/dbraw/zinc/02/35/85/1067023585.db2.gz DDIIFJVXFRFQAD-UHFFFAOYSA-N 1 0 453.306 4.835 20 30 JJEDRO N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450138970 1067053184 /nfs/dbraw/zinc/05/31/84/1067053184.db2.gz HXJUKRJJMHQNNO-IZLXSDGUSA-N 1 0 452.602 4.847 20 30 JJEDRO CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001545798043 1067098332 /nfs/dbraw/zinc/09/83/32/1067098332.db2.gz FDBWNQMTHDGVLQ-RUZDIDTESA-N 1 0 464.658 4.723 20 30 JJEDRO C=CCOc1ccc(CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)cc1 ZINC001450697130 1067105285 /nfs/dbraw/zinc/10/52/85/1067105285.db2.gz DRZPBQYUOXOARG-UHFFFAOYSA-N 1 0 457.412 4.679 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545807381 1067125570 /nfs/dbraw/zinc/12/55/70/1067125570.db2.gz HESIBOWFJWPVQL-RUZDIDTESA-N 1 0 491.709 4.567 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC001545807592 1067127118 /nfs/dbraw/zinc/12/71/18/1067127118.db2.gz KXRYVTKHQKQUTG-VGSWGCGISA-N 1 0 493.483 4.985 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545807670 1067127504 /nfs/dbraw/zinc/12/75/04/1067127504.db2.gz MJNRLBAQBLXNFI-VWLOTQADSA-N 1 0 491.709 4.567 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807802 1067128779 /nfs/dbraw/zinc/12/87/79/1067128779.db2.gz OHEKSBPEMWWDDR-KCWPFWIISA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545808313 1067133584 /nfs/dbraw/zinc/13/35/84/1067133584.db2.gz WPYFRCSTSJMHNP-DHIUTWEWSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001545814468 1067142391 /nfs/dbraw/zinc/14/23/91/1067142391.db2.gz BJYTZAVAQMVUOB-RUZDIDTESA-N 1 0 464.658 4.831 20 30 JJEDRO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1OC ZINC001451103717 1067146136 /nfs/dbraw/zinc/14/61/36/1067146136.db2.gz DFGGPBMPANHUKF-LOSJGSFVSA-N 1 0 460.549 4.797 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545819244 1067153795 /nfs/dbraw/zinc/15/37/95/1067153795.db2.gz CAIQXZBKUWGODO-LADGPHEKSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545819456 1067154699 /nfs/dbraw/zinc/15/46/99/1067154699.db2.gz GIQRNCAPFGLMRQ-YKSBVNFPSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545820207 1067158064 /nfs/dbraw/zinc/15/80/64/1067158064.db2.gz SUXBKSORHOFVJP-DEOSSOPVSA-N 1 0 461.658 4.778 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001545822246 1067163715 /nfs/dbraw/zinc/16/37/15/1067163715.db2.gz XBQBEDCMEGZNRR-JWQCQUIFSA-N 1 0 462.642 4.661 20 30 JJEDRO CC(=O)c1ccc(Nc2ccccc2C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001452693677 1067244924 /nfs/dbraw/zinc/24/49/24/1067244924.db2.gz RBUIZSISVVNMIH-UHFFFAOYSA-N 1 0 452.558 4.899 20 30 JJEDRO C=CC[C@H]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001452997330 1067272826 /nfs/dbraw/zinc/27/28/26/1067272826.db2.gz DJYXWWWVKQBTBG-QFIPXVFZSA-N 1 0 455.643 4.751 20 30 JJEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001459606850 1067361766 /nfs/dbraw/zinc/36/17/66/1067361766.db2.gz WLYQJOCGQHIGPJ-PZJWPPBQSA-N 1 0 450.652 4.812 20 30 JJEDRO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676658 1067380525 /nfs/dbraw/zinc/38/05/25/1067380525.db2.gz XSUUCCIHRJXYCS-FQEVSTJZSA-N 1 0 451.640 4.510 20 30 JJEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771904 1067415440 /nfs/dbraw/zinc/41/54/40/1067415440.db2.gz OGBNXXDGVXJLHD-AABGKKOBSA-N 1 0 450.652 4.668 20 30 JJEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1F ZINC001459842112 1067449004 /nfs/dbraw/zinc/44/90/04/1067449004.db2.gz ZPWZDSHCSGCFRJ-INIZCTEOSA-N 1 0 452.505 4.601 20 30 JJEDRO C[C@@](Cc1cccc(Br)c1)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001459851798 1067457256 /nfs/dbraw/zinc/45/72/56/1067457256.db2.gz NLHQYUAKJCGJLL-GOTSBHOMSA-N 1 0 457.412 4.568 20 30 JJEDRO N#Cc1ccc(N2CCC[C@H](N3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280458 1067597062 /nfs/dbraw/zinc/59/70/62/1067597062.db2.gz SLXLNEPBHGMPQE-GOTSBHOMSA-N 1 0 452.396 4.913 20 30 JJEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)COCC2CCCCC2)c1C#N ZINC001460812669 1067728621 /nfs/dbraw/zinc/72/86/21/1067728621.db2.gz DDXAZBRFJTUCLN-SFHVURJKSA-N 1 0 454.590 4.678 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001546120837 1067762322 /nfs/dbraw/zinc/76/23/22/1067762322.db2.gz BCQGNILKBIFARI-JOCHJYFZSA-N 1 0 494.665 4.737 20 30 JJEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001461245037 1067808349 /nfs/dbraw/zinc/80/83/49/1067808349.db2.gz LTMDOOHIKRHEDV-INIZCTEOSA-N 1 0 458.425 4.582 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1OCC ZINC001461389939 1067844948 /nfs/dbraw/zinc/84/49/48/1067844948.db2.gz LHBIRDUNRWAUBF-GOSISDBHSA-N 1 0 454.405 4.968 20 30 JJEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)c1 ZINC001461579788 1067893258 /nfs/dbraw/zinc/89/32/58/1067893258.db2.gz JCNFNZWZGRSJJG-UHFFFAOYSA-N 1 0 452.913 4.776 20 30 JJEDRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1Br ZINC001462252543 1068038430 /nfs/dbraw/zinc/03/84/30/1068038430.db2.gz HUHMQZKQSOTFHN-JVIIGWRGSA-N 1 0 457.412 4.602 20 30 JJEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291492 1068044604 /nfs/dbraw/zinc/04/46/04/1068044604.db2.gz GVVZOMAIPOBGGH-QPPBQGQZSA-N 1 0 452.982 4.879 20 30 JJEDRO COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC001462487288 1068083516 /nfs/dbraw/zinc/08/35/16/1068083516.db2.gz ZLHMISSQGWQVKK-UHFFFAOYSA-N 1 0 455.558 4.682 20 30 JJEDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623592 1068114887 /nfs/dbraw/zinc/11/48/87/1068114887.db2.gz AGBAMOORVFSROP-DTORHVGOSA-N 1 0 454.155 4.758 20 30 JJEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC001462920043 1068214794 /nfs/dbraw/zinc/21/47/94/1068214794.db2.gz BNEJZIHOJHUKFM-OAQYLSRUSA-N 1 0 453.530 4.523 20 30 JJEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001463346585 1068366460 /nfs/dbraw/zinc/36/64/60/1068366460.db2.gz BNNPSPHLHDTWOW-LAUBAEHRSA-N 1 0 453.633 4.660 20 30 JJEDRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[NH+](CC)CC)cc1 ZINC001463790556 1068525335 /nfs/dbraw/zinc/52/53/35/1068525335.db2.gz DSPOVMPAYLUYKZ-OAQYLSRUSA-N 1 0 453.530 4.501 20 30 JJEDRO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464398149 1068731412 /nfs/dbraw/zinc/73/14/12/1068731412.db2.gz IRQAUEURKHMFTI-LVXARBLLSA-N 1 0 453.590 4.863 20 30 JJEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001464573724 1068787274 /nfs/dbraw/zinc/78/72/74/1068787274.db2.gz YVIAGEKNZOMXQG-UHFFFAOYSA-N 1 0 457.603 4.675 20 30 JJEDRO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464690921 1068826483 /nfs/dbraw/zinc/82/64/83/1068826483.db2.gz QCFFTDIKIMNTSZ-WUFINQPMSA-N 1 0 473.642 4.653 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164389819 718815846 /nfs/dbraw/zinc/81/58/46/718815846.db2.gz ZWCCSAVNQFEAPN-GOSISDBHSA-N 1 0 471.861 4.724 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164389764 718815906 /nfs/dbraw/zinc/81/59/06/718815906.db2.gz YSMZOSSUTIJOSM-SFHVURJKSA-N 1 0 471.861 4.724 20 30 JJEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(-c4cccs4)ccc3C#N)CC2)c2ccccc21 ZINC001164680431 719678847 /nfs/dbraw/zinc/67/88/47/719678847.db2.gz DWJWSESIUCCXRA-QFIPXVFZSA-N 1 0 499.684 4.775 20 30 JJEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([C@@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693315 719804605 /nfs/dbraw/zinc/80/46/05/719804605.db2.gz RXWJAKMQWSVAKH-QHCPKHFHSA-N 1 0 458.635 4.840 20 30 JJEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695724 719886735 /nfs/dbraw/zinc/88/67/35/719886735.db2.gz SZHUIEHLOITQKO-UHFFFAOYSA-N 1 0 473.376 4.738 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164710201 720098470 /nfs/dbraw/zinc/09/84/70/720098470.db2.gz HDYJENPIWMOLKH-RUZDIDTESA-N 1 0 471.580 4.662 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164713006 720157404 /nfs/dbraw/zinc/15/74/04/720157404.db2.gz JJTHALCOOPXTGD-HXUWFJFHSA-N 1 0 479.987 4.801 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740179 720831375 /nfs/dbraw/zinc/83/13/75/720831375.db2.gz JKQOZFXEIABVFX-QQKQFIJSSA-N 1 0 495.656 4.806 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740181 720831464 /nfs/dbraw/zinc/83/14/64/720831464.db2.gz JKQOZFXEIABVFX-UMXIMWEHSA-N 1 0 495.656 4.806 20 30 JJEDRO N#Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749177 720931013 /nfs/dbraw/zinc/93/10/13/720931013.db2.gz IEADNKZPBNVUSV-QDPGVEIFSA-N 1 0 488.035 4.910 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762718 721246991 /nfs/dbraw/zinc/24/69/91/721246991.db2.gz LHGAONUOXBDCNJ-RTWAWAEBSA-N 1 0 482.966 4.510 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768950 721250237 /nfs/dbraw/zinc/25/02/37/721250237.db2.gz ZDPHQRXAIHEAOU-HZPDHXFCSA-N 1 0 491.373 4.650 20 30 JJEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905676 721585233 /nfs/dbraw/zinc/58/52/33/721585233.db2.gz KKHFXOGLXIEJAM-ZEQKJWHPSA-N 1 0 474.559 4.573 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164908092 721712716 /nfs/dbraw/zinc/71/27/16/721712716.db2.gz VOCBGNSDDOIJFB-RUZDIDTESA-N 1 0 492.599 4.870 20 30 JJEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164912927 721735489 /nfs/dbraw/zinc/73/54/89/721735489.db2.gz RGLNBIMMYYWCPS-XMMPIXPASA-N 1 0 496.949 4.927 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([C@@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001165019259 721838413 /nfs/dbraw/zinc/83/84/13/721838413.db2.gz BQRONASJXAXDEC-QHCPKHFHSA-N 1 0 471.605 4.559 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001165023186 721843711 /nfs/dbraw/zinc/84/37/11/721843711.db2.gz YKRDLBKAARJNDQ-UHFFFAOYSA-N 1 0 486.616 4.845 20 30 JJEDRO C=CC[NH+]1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccc(OC)c(OC)c4)c32)CC1 ZINC001165031806 721870506 /nfs/dbraw/zinc/87/05/06/721870506.db2.gz AMRNVWSBXZDTBL-UHFFFAOYSA-N 1 0 473.602 4.746 20 30 JJEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001164951597 722018354 /nfs/dbraw/zinc/01/83/54/722018354.db2.gz BJRVXMFFSZQTHE-UHFFFAOYSA-N 1 0 462.960 4.695 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCOC1CCCCCC1 ZINC001359712608 1064261489 /nfs/dbraw/zinc/26/14/89/1064261489.db2.gz ZYVDDFWDYUFATK-UHFFFAOYSA-N 1 0 464.658 4.725 20 30 JJEDRO CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359716883 1064265731 /nfs/dbraw/zinc/26/57/31/1064265731.db2.gz YZYVBBRXRNFEJB-QFIPXVFZSA-N 1 0 484.073 4.618 20 30 JJEDRO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359732482 1064287028 /nfs/dbraw/zinc/28/70/28/1064287028.db2.gz FSBGFLYNICKWKY-HSZRJFAPSA-N 1 0 464.658 4.723 20 30 JJEDRO CC(C)C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359764417 1064383232 /nfs/dbraw/zinc/38/32/32/1064383232.db2.gz APCFMUSHODZJBX-FPOVZHCZSA-N 1 0 456.610 4.664 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001359766895 1064395314 /nfs/dbraw/zinc/39/53/14/1064395314.db2.gz WZNWULIUCMQEBS-IIBYNOLFSA-N 1 0 453.393 4.670 20 30 JJEDRO CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001359771699 1064406046 /nfs/dbraw/zinc/40/60/46/1064406046.db2.gz BIWGOXLFOFQOCP-UNMCSNQZSA-N 1 0 452.647 4.577 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359818244 1064501796 /nfs/dbraw/zinc/50/17/96/1064501796.db2.gz XBESKUHZDLIIEH-ZRZAMGCNSA-N 1 0 478.685 4.764 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359926892 1064660977 /nfs/dbraw/zinc/66/09/77/1064660977.db2.gz GHAVRZGMBGRAEF-UHFFFAOYSA-N 1 0 484.073 4.879 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cccc3cccnc32)n1CC[NH+]1CCC(C)CC1 ZINC001359927162 1064662534 /nfs/dbraw/zinc/66/25/34/1064662534.db2.gz PGVDSUGIPOUFLW-UHFFFAOYSA-N 1 0 459.642 4.991 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359929916 1064667914 /nfs/dbraw/zinc/66/79/14/1064667914.db2.gz REGIMSKOXIOFDE-DEOSSOPVSA-N 1 0 465.646 4.597 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001359947999 1064699210 /nfs/dbraw/zinc/69/92/10/1064699210.db2.gz GYAAVMVSXFSSGV-LJQANCHMSA-N 1 0 458.601 4.644 20 30 JJEDRO CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001359951964 1064712360 /nfs/dbraw/zinc/71/23/60/1064712360.db2.gz KJDXMRBYQRCIQQ-UHFFFAOYSA-N 1 0 452.647 4.840 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 ZINC001360009772 1064799467 /nfs/dbraw/zinc/79/94/67/1064799467.db2.gz FLYHPVCTFAEKAF-XMMPIXPASA-N 1 0 491.728 4.823 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360010646 1064803439 /nfs/dbraw/zinc/80/34/39/1064803439.db2.gz TWKIZJIRQOYVGV-UKILVPOCSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001360011751 1064806499 /nfs/dbraw/zinc/80/64/99/1064806499.db2.gz HSQVVSZHPDTRBB-UKILVPOCSA-N 1 0 496.725 4.675 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360012327 1064809146 /nfs/dbraw/zinc/80/91/46/1064809146.db2.gz POCIQACXSMGPJJ-UPVQGACJSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)C1 ZINC001360035618 1064841094 /nfs/dbraw/zinc/84/10/94/1064841094.db2.gz OIWRUJUPEDEWGN-FQEVSTJZSA-N 1 0 491.467 4.739 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001360035754 1064842375 /nfs/dbraw/zinc/84/23/75/1064842375.db2.gz UCCSEEHGWIRIGO-UHFFFAOYSA-N 1 0 455.587 4.676 20 30 JJEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675493 1064928650 /nfs/dbraw/zinc/92/86/50/1064928650.db2.gz WHSMJFOSJWQDNK-NVQXNPDNSA-N 1 0 457.615 4.666 20 30 JJEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001435810316 1065004075 /nfs/dbraw/zinc/00/40/75/1065004075.db2.gz SJBJEJCHWAHHTR-VJGNERBWSA-N 1 0 452.602 4.976 20 30 JJEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001435810315 1065004142 /nfs/dbraw/zinc/00/41/42/1065004142.db2.gz SJBJEJCHWAHHTR-OYUWMTPXSA-N 1 0 452.602 4.976 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1)C(C)C ZINC001360124198 1065016212 /nfs/dbraw/zinc/01/62/12/1065016212.db2.gz XCPPXDLIGBYMIR-VWLOTQADSA-N 1 0 464.658 4.721 20 30 JJEDRO CC(C)N(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001360142505 1065043270 /nfs/dbraw/zinc/04/32/70/1065043270.db2.gz XVVUGROGHMZFJJ-QHCPKHFHSA-N 1 0 476.625 4.857 20 30 JJEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436214904 1065257096 /nfs/dbraw/zinc/25/70/96/1065257096.db2.gz WJHJNEUZJLCONN-RRPNLBNLSA-N 1 0 457.622 4.680 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360409955 1065273869 /nfs/dbraw/zinc/27/38/69/1065273869.db2.gz ZABULWVQOLXUFU-FGZHOGPDSA-N 1 0 490.574 4.657 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[NH+]1CCSCC1 ZINC001360470211 1065387475 /nfs/dbraw/zinc/38/74/75/1065387475.db2.gz NRHVCOVIESCIAH-QGZVFWFLSA-N 1 0 470.643 4.600 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360470702 1065389733 /nfs/dbraw/zinc/38/97/33/1065389733.db2.gz UDVBKOJYNLLNBP-HYBUGGRVSA-N 1 0 476.625 4.976 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CC#N)C(C)C ZINC001360471111 1065391019 /nfs/dbraw/zinc/39/10/19/1065391019.db2.gz BCTZOVPQEBZQGL-GOSISDBHSA-N 1 0 461.452 4.955 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001360471632 1065391647 /nfs/dbraw/zinc/39/16/47/1065391647.db2.gz LJTDEOCCCZNDQP-FUHWJXTLSA-N 1 0 456.019 4.630 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360478716 1065395765 /nfs/dbraw/zinc/39/57/65/1065395765.db2.gz MSBMPROEMYXWID-ZJSXRUAMSA-N 1 0 462.667 4.971 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360483562 1065403662 /nfs/dbraw/zinc/40/36/62/1065403662.db2.gz YVYNFYYIWSRNDB-KZKAQZJJSA-N 1 0 456.679 4.732 20 30 JJEDRO C[C@H](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360510593 1065454717 /nfs/dbraw/zinc/45/47/17/1065454717.db2.gz OACMTKSMJLHAIJ-UZUQRXQVSA-N 1 0 495.430 4.870 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596730 1065610633 /nfs/dbraw/zinc/61/06/33/1065610633.db2.gz GIHHVONTMJIILP-LEWJYISDSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360744008 1065780913 /nfs/dbraw/zinc/78/09/13/1065780913.db2.gz MVLCIUUFVYPVCM-SFTDATJTSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360744006 1065781013 /nfs/dbraw/zinc/78/10/13/1065781013.db2.gz MVLCIUUFVYPVCM-NHCUHLMSSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360745913 1065787035 /nfs/dbraw/zinc/78/70/35/1065787035.db2.gz QHIGQLSKTNURIU-CTIGNXTNSA-N 1 0 466.561 4.583 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360758288 1065824278 /nfs/dbraw/zinc/82/42/78/1065824278.db2.gz PXLZIDGOMUMCDQ-IQOKHDRSSA-N 1 0 475.012 4.634 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360851677 1065965583 /nfs/dbraw/zinc/96/55/83/1065965583.db2.gz PGUDVQICGCGVCC-UHFFFAOYSA-N 1 0 483.458 4.960 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2cccs2)[NH+](C)C)c1C ZINC001360866882 1065990224 /nfs/dbraw/zinc/99/02/24/1065990224.db2.gz ZEZYIMBNGQLNSM-DUXKGJEZSA-N 1 0 466.655 4.995 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1C ZINC001360870198 1066001108 /nfs/dbraw/zinc/00/11/08/1066001108.db2.gz NJPIOHLKWSSLJP-JOCHJYFZSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360874662 1066014891 /nfs/dbraw/zinc/01/48/91/1066014891.db2.gz NUQONMPEIJPAIF-SZEHJLNQSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360874699 1066015071 /nfs/dbraw/zinc/01/50/71/1066015071.db2.gz TUWJIOKUTLUYKC-UNMCSNQZSA-N 1 0 450.631 4.649 20 30 JJEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001441357412 1066032938 /nfs/dbraw/zinc/03/29/38/1066032938.db2.gz SXHXDEOPOTVCGL-NRFANRHFSA-N 1 0 453.590 4.727 20 30 JJEDRO C=CC1(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001441479417 1066045371 /nfs/dbraw/zinc/04/53/71/1066045371.db2.gz KGUCDZFOBYZQEQ-SFTDATJTSA-N 1 0 455.643 4.594 20 30 JJEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360935825 1066095636 /nfs/dbraw/zinc/09/56/36/1066095636.db2.gz YDTWJWQXIJEYRD-LJQANCHMSA-N 1 0 463.636 4.583 20 30 JJEDRO Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360949836 1066107566 /nfs/dbraw/zinc/10/75/66/1066107566.db2.gz VDXBGVRNHRDBNR-FQEVSTJZSA-N 1 0 476.625 4.777 20 30 JJEDRO Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361049347 1066281366 /nfs/dbraw/zinc/28/13/66/1066281366.db2.gz ANDJEXOGFKUQHB-JIPXPUAJSA-N 1 0 459.642 4.908 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1CC[N@@H+](C)C(C)C ZINC001361089538 1066336110 /nfs/dbraw/zinc/33/61/10/1066336110.db2.gz WXQWJXGENKPBHH-UHFFFAOYSA-N 1 0 473.065 4.722 20 30 JJEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443630517 1066340259 /nfs/dbraw/zinc/34/02/59/1066340259.db2.gz HWFOBNMMUZDJOF-UHFFFAOYSA-N 1 0 458.993 4.821 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361130282 1066394894 /nfs/dbraw/zinc/39/48/94/1066394894.db2.gz LJSJCRJNJMGUKA-DHIUTWEWSA-N 1 0 494.684 4.528 20 30 JJEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180997 1066426889 /nfs/dbraw/zinc/42/68/89/1066426889.db2.gz YBPSBFOJVPMWCJ-RTWAWAEBSA-N 1 0 457.062 4.931 20 30 JJEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180771 1066426995 /nfs/dbraw/zinc/42/69/95/1066426995.db2.gz YBPSBFOJVPMWCJ-LEWJYISDSA-N 1 0 457.062 4.931 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361155902 1066456286 /nfs/dbraw/zinc/45/62/86/1066456286.db2.gz IOJSYWMVWTWVCQ-KCWPFWIISA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361205238 1066536401 /nfs/dbraw/zinc/53/64/01/1066536401.db2.gz GOYSMCXAWJKRHY-OFNKIYASSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361205387 1066536937 /nfs/dbraw/zinc/53/69/37/1066536937.db2.gz IIKUATMOAGNAGG-JPYJTQIMSA-N 1 0 489.437 4.578 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC001361205568 1066537017 /nfs/dbraw/zinc/53/70/17/1066537017.db2.gz LUXSQHWQDYUHFF-WMZHIEFXSA-N 1 0 489.437 4.578 20 30 JJEDRO N#CCn1c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001361220139 1066557310 /nfs/dbraw/zinc/55/73/10/1066557310.db2.gz GFCJOSVOYKIUTJ-HXUWFJFHSA-N 1 0 454.496 4.691 20 30 JJEDRO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361249825 1066594628 /nfs/dbraw/zinc/59/46/28/1066594628.db2.gz GWWZIIAUWPPXTK-OALUTQOASA-N 1 0 478.666 4.711 20 30 JJEDRO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361249826 1066594677 /nfs/dbraw/zinc/59/46/77/1066594677.db2.gz GWWZIIAUWPPXTK-RTBURBONSA-N 1 0 478.666 4.711 20 30 JJEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001456482968 1066595348 /nfs/dbraw/zinc/59/53/48/1066595348.db2.gz RORDCEMYVPEUJB-QHCPKHFHSA-N 1 0 455.643 4.850 20 30 JJEDRO Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001492630192 1066703373 /nfs/dbraw/zinc/70/33/73/1066703373.db2.gz PMTJLZZFGNZMEJ-LJQANCHMSA-N 1 0 477.682 4.942 20 30 JJEDRO CC1CC[NH+](CCc2cccc(NC(=O)COc3ccc(C#N)c(Br)c3)c2)CC1 ZINC001458092034 1066972142 /nfs/dbraw/zinc/97/21/42/1066972142.db2.gz KMMASGIWRDQJSC-UHFFFAOYSA-N 1 0 456.384 4.613 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC001449158339 1066986286 /nfs/dbraw/zinc/98/62/86/1066986286.db2.gz IEBAWZNJLQECIV-MRXNPFEDSA-N 1 0 458.480 4.954 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001449271998 1066994883 /nfs/dbraw/zinc/99/48/83/1066994883.db2.gz ZESZXSIWNCATJD-RTBURBONSA-N 1 0 458.430 4.875 20 30 JJEDRO CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCCC1 ZINC001546012950 1066996727 /nfs/dbraw/zinc/99/67/27/1066996727.db2.gz RNWIUDXGOFSLJC-UNMCSNQZSA-N 1 0 452.647 4.625 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001458347499 1067037798 /nfs/dbraw/zinc/03/77/98/1067037798.db2.gz HQIXYCYHZMAIRU-DHLKQENFSA-N 1 0 455.606 4.721 20 30 JJEDRO C#CC[N@H+](C)CCCNC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001450484549 1067084431 /nfs/dbraw/zinc/08/44/31/1067084431.db2.gz GPKHNFGZOIIIPX-UHFFFAOYSA-N 1 0 452.396 4.601 20 30 JJEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[NH+](C)C)cc1 ZINC001450552425 1067090556 /nfs/dbraw/zinc/09/05/56/1067090556.db2.gz YLBJHBDXZQYVDA-MHZLTWQESA-N 1 0 457.574 4.957 20 30 JJEDRO CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001545798456 1067100685 /nfs/dbraw/zinc/10/06/85/1067100685.db2.gz LILTXBHFNXAXBZ-XMMPIXPASA-N 1 0 466.674 4.969 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545807147 1067124113 /nfs/dbraw/zinc/12/41/13/1067124113.db2.gz BKNOAIJSYLFODP-LOSJGSFVSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545807148 1067124315 /nfs/dbraw/zinc/12/43/15/1067124315.db2.gz BKNOAIJSYLFODP-RPBOFIJWSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001545814469 1067142463 /nfs/dbraw/zinc/14/24/63/1067142463.db2.gz BJYTZAVAQMVUOB-VWLOTQADSA-N 1 0 464.658 4.831 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545819453 1067154720 /nfs/dbraw/zinc/15/47/20/1067154720.db2.gz GIQRNCAPFGLMRQ-GBXCKJPGSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545821831 1067162438 /nfs/dbraw/zinc/16/24/38/1067162438.db2.gz MYUZBSWZLPAYPP-BHIFYINESA-N 1 0 458.695 4.693 20 30 JJEDRO C#CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459505739 1067340222 /nfs/dbraw/zinc/34/02/22/1067340222.db2.gz DHEAREMVIDGGME-MOPGFXCFSA-N 1 0 454.286 4.960 20 30 JJEDRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc2)cc1 ZINC001459818516 1067437702 /nfs/dbraw/zinc/43/77/02/1067437702.db2.gz KRHIIYNBFVYZKL-HHHXNRCGSA-N 1 0 459.615 4.941 20 30 JJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001459867689 1067464675 /nfs/dbraw/zinc/46/46/75/1067464675.db2.gz KTADHUKHKWAMJJ-IRXDYDNUSA-N 1 0 450.608 4.693 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015273 1067528372 /nfs/dbraw/zinc/52/83/72/1067528372.db2.gz IVEOKMQUYZEZBW-VXKWHMMOSA-N 1 0 456.631 4.565 20 30 JJEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C ZINC001460030812 1067534054 /nfs/dbraw/zinc/53/40/54/1067534054.db2.gz PYNROZHYNGUNOL-HSZRJFAPSA-N 1 0 455.624 4.517 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119259 1067558951 /nfs/dbraw/zinc/55/89/51/1067558951.db2.gz GSNURBJJEVCESC-JWQCQUIFSA-N 1 0 456.590 4.878 20 30 JJEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C ZINC001460125144 1067560054 /nfs/dbraw/zinc/56/00/54/1067560054.db2.gz FDEZOVCJUXGZFR-JQCUGZDKSA-N 1 0 462.619 4.888 20 30 JJEDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460207060 1067579061 /nfs/dbraw/zinc/57/90/61/1067579061.db2.gz HUZRBDQUHAOYLY-BJKOFHAPSA-N 1 0 453.558 4.849 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc1C ZINC001460248820 1067591081 /nfs/dbraw/zinc/59/10/81/1067591081.db2.gz DEDVYWIOOWVRKE-UHFFFAOYSA-N 1 0 455.606 4.865 20 30 JJEDRO COc1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254362 1067591975 /nfs/dbraw/zinc/59/19/75/1067591975.db2.gz FGVYKVUQQDHBDX-WMZHIEFXSA-N 1 0 450.579 4.946 20 30 JJEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC001460654152 1067688313 /nfs/dbraw/zinc/68/83/13/1067688313.db2.gz MPOWLHCGUUFFTE-UHFFFAOYSA-N 1 0 456.546 4.670 20 30 JJEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001461095311 1067781268 /nfs/dbraw/zinc/78/12/68/1067781268.db2.gz LAHWXIXFKBLSCQ-QFIPXVFZSA-N 1 0 456.464 4.686 20 30 JJEDRO C#CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)cc1 ZINC001461623713 1067903640 /nfs/dbraw/zinc/90/36/40/1067903640.db2.gz BXAJUIMKCTWSTJ-UIOOFZCWSA-N 1 0 464.606 4.980 20 30 JJEDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC001462039423 1067986806 /nfs/dbraw/zinc/98/68/06/1067986806.db2.gz CCQBMNUJSVXLEV-GOSISDBHSA-N 1 0 455.183 4.589 20 30 JJEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1=O ZINC001462216821 1068030801 /nfs/dbraw/zinc/03/08/01/1068030801.db2.gz ROEOKPFGMKDAIP-ZPGVXSSASA-N 1 0 452.396 4.775 20 30 JJEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)CC1 ZINC001464130990 1068627199 /nfs/dbraw/zinc/62/71/99/1068627199.db2.gz NROOGACVCLBRBB-UHFFFAOYSA-N 1 0 454.574 4.527 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164389763 718815871 /nfs/dbraw/zinc/81/58/71/718815871.db2.gz YSMZOSSUTIJOSM-GOSISDBHSA-N 1 0 471.861 4.724 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164627000 719049715 /nfs/dbraw/zinc/04/97/15/719049715.db2.gz TVBLVWBTNPAOLK-QPPBQGQZSA-N 1 0 465.935 4.797 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618739 719049791 /nfs/dbraw/zinc/04/97/91/719049791.db2.gz BGJKWNGGIYFCGR-XUZZJYLKSA-N 1 0 465.935 4.797 20 30 JJEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622461 719113015 /nfs/dbraw/zinc/11/30/15/719113015.db2.gz CAZNZGXWROLRJS-GDBMZVCRSA-N 1 0 471.861 4.666 20 30 JJEDRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164679925 719653010 /nfs/dbraw/zinc/65/30/10/719653010.db2.gz AGCMIPKNYRHFBZ-UHFFFAOYSA-N 1 0 479.362 4.693 20 30 JJEDRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)c2c1CC[NH2+]C2 ZINC001164682938 719654317 /nfs/dbraw/zinc/65/43/17/719654317.db2.gz UDXOLLLFEHQNBF-UHFFFAOYSA-N 1 0 470.955 4.554 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164714041 720158839 /nfs/dbraw/zinc/15/88/39/720158839.db2.gz NSVKNKFLCIIUCA-GOSISDBHSA-N 1 0 497.977 4.941 20 30 JJEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001164823780 720321520 /nfs/dbraw/zinc/32/15/20/720321520.db2.gz BFPMPKMVFBDRRD-BJKOFHAPSA-N 1 0 485.657 4.746 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cnc2Cl)c1 ZINC001164740326 720596046 /nfs/dbraw/zinc/59/60/46/720596046.db2.gz INEWBKIGAALIIF-UHFFFAOYSA-N 1 0 482.966 4.674 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753717 720908508 /nfs/dbraw/zinc/90/85/08/720908508.db2.gz SEBIWWZOWPRZRD-RBISFHTESA-N 1 0 488.035 4.910 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753718 720908987 /nfs/dbraw/zinc/90/89/87/720908987.db2.gz SEBIWWZOWPRZRD-SKCUWOTOSA-N 1 0 488.035 4.910 20 30 JJEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@H]2C ZINC001164861787 721023591 /nfs/dbraw/zinc/02/35/91/721023591.db2.gz PJOFXZKAVJIAQC-INIZCTEOSA-N 1 0 485.970 4.831 20 30 JJEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001164759992 721046522 /nfs/dbraw/zinc/04/65/22/721046522.db2.gz SUPZVEVZCJPESJ-QHCPKHFHSA-N 1 0 475.637 4.617 20 30 JJEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864069 721096506 /nfs/dbraw/zinc/09/65/06/721096506.db2.gz DXKFKABBXXFPOM-XZOQPEGZSA-N 1 0 467.598 4.710 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3C2)cn1 ZINC001164759750 721246957 /nfs/dbraw/zinc/24/69/57/721246957.db2.gz BIZXIOOSIDNXGK-SFTDATJTSA-N 1 0 482.966 4.510 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906612 721567736 /nfs/dbraw/zinc/56/77/36/721567736.db2.gz KIEOTSMSPMRTCP-CTNGQTDRSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904706 721585340 /nfs/dbraw/zinc/58/53/40/721585340.db2.gz FYHQURATIVPUIC-RUZDIDTESA-N 1 0 463.507 4.892 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905672 721585541 /nfs/dbraw/zinc/58/55/41/721585541.db2.gz KKHFXOGLXIEJAM-JYFHCDHNSA-N 1 0 474.559 4.573 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907034 721723516 /nfs/dbraw/zinc/72/35/16/721723516.db2.gz PQVWHVYTDPCKLZ-HSZRJFAPSA-N 1 0 453.924 4.893 20 30 JJEDRO N#Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909064 721734130 /nfs/dbraw/zinc/73/41/30/721734130.db2.gz ANZPTDLVXUEGMV-QHCPKHFHSA-N 1 0 453.924 4.893 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027826 721817273 /nfs/dbraw/zinc/81/72/73/721817273.db2.gz VYYRGADTSQXHOI-ZTCOLXNVSA-N 1 0 470.646 4.869 20 30 JJEDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CCC2 ZINC001165001660 722254251 /nfs/dbraw/zinc/25/42/51/722254251.db2.gz FRBMYERSOKUTOA-UHFFFAOYSA-N 1 0 472.618 4.520 20 30 JJEDRO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359733466 1064291155 /nfs/dbraw/zinc/29/11/55/1064291155.db2.gz YYBAMFYXQSHCAG-XUZZJYLKSA-N 1 0 478.666 4.966 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCC2)CCS1 ZINC001359747451 1064328266 /nfs/dbraw/zinc/32/82/66/1064328266.db2.gz BQSJJJBSKSLOJX-HSZRJFAPSA-N 1 0 452.672 4.661 20 30 JJEDRO CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974485 1064388990 /nfs/dbraw/zinc/38/89/90/1064388990.db2.gz FZWWXKKZOUFGPC-QHCPKHFHSA-N 1 0 454.412 4.766 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)[NH+](C)C ZINC001359772070 1064407319 /nfs/dbraw/zinc/40/73/19/1064407319.db2.gz IZMSBBIRFUMOBW-HYLPIGKTSA-N 1 0 464.658 4.720 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)[NH+](C)C ZINC001359772071 1064407367 /nfs/dbraw/zinc/40/73/67/1064407367.db2.gz IZMSBBIRFUMOBW-LSAVBLLPSA-N 1 0 464.658 4.720 20 30 JJEDRO CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359795990 1064455518 /nfs/dbraw/zinc/45/55/18/1064455518.db2.gz RPMFHNJKJOJNLG-FGZHOGPDSA-N 1 0 476.669 4.530 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817388 1064499881 /nfs/dbraw/zinc/49/98/81/1064499881.db2.gz CGVZKMBPWDGYRE-VXKWHMMOSA-N 1 0 464.658 4.516 20 30 JJEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359841068 1064527678 /nfs/dbraw/zinc/52/76/78/1064527678.db2.gz AGLQUDAQTZMCJB-HSZRJFAPSA-N 1 0 466.699 4.592 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001359853774 1064541269 /nfs/dbraw/zinc/54/12/69/1064541269.db2.gz PEWHWJQQFKWGAX-UHFFFAOYSA-N 1 0 459.594 4.764 20 30 JJEDRO C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435175958 1064569485 /nfs/dbraw/zinc/56/94/85/1064569485.db2.gz OXUCTNVTGBFTRP-FQEVSTJZSA-N 1 0 457.368 4.627 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001359926525 1064659438 /nfs/dbraw/zinc/65/94/38/1064659438.db2.gz REZBPKNHAORKMN-DEOSSOPVSA-N 1 0 487.073 4.646 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1([NH+](C)C)CCCCC1 ZINC001359929364 1064666416 /nfs/dbraw/zinc/66/64/16/1064666416.db2.gz DEDJBQLBBMGYGJ-XMMPIXPASA-N 1 0 480.657 4.821 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([NH+](C)C)CCCCC1 ZINC001359929363 1064666446 /nfs/dbraw/zinc/66/64/46/1064666446.db2.gz DEDJBQLBBMGYGJ-DEOSSOPVSA-N 1 0 480.657 4.821 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001359947825 1064697930 /nfs/dbraw/zinc/69/79/30/1064697930.db2.gz DQCZVNIVEHATQX-QFIPXVFZSA-N 1 0 464.658 4.723 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC001359948592 1064700643 /nfs/dbraw/zinc/70/06/43/1064700643.db2.gz PATNNBYTILPVMM-AREMUKBSSA-N 1 0 478.685 4.684 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001435339082 1064709202 /nfs/dbraw/zinc/70/92/02/1064709202.db2.gz KNOUFYVXPLUYLH-BKMJKUGQSA-N 1 0 455.606 4.721 20 30 JJEDRO CC(C)CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359958881 1064729657 /nfs/dbraw/zinc/72/96/57/1064729657.db2.gz KXVYOAVIKKWLBI-UHFFFAOYSA-N 1 0 478.685 4.970 20 30 JJEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001545890809 1064744314 /nfs/dbraw/zinc/74/43/14/1064744314.db2.gz LFIVUZXXZYVOFT-SANMLTNESA-N 1 0 455.558 4.713 20 30 JJEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC001435457923 1064768352 /nfs/dbraw/zinc/76/83/52/1064768352.db2.gz MNJYXBKQFWAXHW-UHFFFAOYSA-N 1 0 451.542 4.502 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360008099 1064795785 /nfs/dbraw/zinc/79/57/85/1064795785.db2.gz KTKPXJUKGWTHRN-MSOLQXFVSA-N 1 0 491.453 4.953 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435567478 1064838713 /nfs/dbraw/zinc/83/87/13/1064838713.db2.gz UVFWTIKZAMRMJD-DLBZAZTESA-N 1 0 450.073 4.960 20 30 JJEDRO CC(C)CSCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001360087324 1064951921 /nfs/dbraw/zinc/95/19/21/1064951921.db2.gz RAYAFCKOFLJBFB-UHFFFAOYSA-N 1 0 480.707 4.513 20 30 JJEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749419 1064973101 /nfs/dbraw/zinc/97/31/01/1064973101.db2.gz MXCRRXCOTIJTLJ-DJJJIMSYSA-N 1 0 450.739 4.536 20 30 JJEDRO CC(C)[N@H+](C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(C1)CCCCC2 ZINC001360103304 1064983217 /nfs/dbraw/zinc/98/32/17/1064983217.db2.gz GFEXMWMDQKBIMZ-UHFFFAOYSA-N 1 0 450.631 4.620 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001360123570 1065014913 /nfs/dbraw/zinc/01/49/13/1065014913.db2.gz JTQFFQYPLYNDNC-JOCHJYFZSA-N 1 0 495.416 4.798 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC001360128339 1065022699 /nfs/dbraw/zinc/02/26/99/1065022699.db2.gz GMXDFKIWMQEOHZ-RUZDIDTESA-N 1 0 477.701 4.538 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360139832 1065035993 /nfs/dbraw/zinc/03/59/93/1065035993.db2.gz VACCGFKJMXTSJY-LJQANCHMSA-N 1 0 471.447 4.568 20 30 JJEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360144254 1065046144 /nfs/dbraw/zinc/04/61/44/1065046144.db2.gz CRAQAJYQRPYSHH-UHFFFAOYSA-N 1 0 477.682 4.734 20 30 JJEDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001360149714 1065052840 /nfs/dbraw/zinc/05/28/40/1065052840.db2.gz ZRMUFIPZTGNNEA-SFTDATJTSA-N 1 0 460.548 4.716 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360409956 1065273888 /nfs/dbraw/zinc/27/38/88/1065273888.db2.gz ZABULWVQOLXUFU-VXKWHMMOSA-N 1 0 490.574 4.657 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360466374 1065378069 /nfs/dbraw/zinc/37/80/69/1065378069.db2.gz CKHFLZCFNZOANL-APWZRJJASA-N 1 0 459.436 4.566 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360470142 1065387552 /nfs/dbraw/zinc/38/75/52/1065387552.db2.gz LXHMWIXXXAYZKN-KXBFYZLASA-N 1 0 473.444 4.810 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001360479053 1065396769 /nfs/dbraw/zinc/39/67/69/1065396769.db2.gz QDXNGQCOBCMQQU-UGKGYDQZSA-N 1 0 450.562 4.567 20 30 JJEDRO C[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360504927 1065438332 /nfs/dbraw/zinc/43/83/32/1065438332.db2.gz FFFQADOEWLCELV-OPAMFIHVSA-N 1 0 493.400 4.553 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360505590 1065441611 /nfs/dbraw/zinc/44/16/11/1065441611.db2.gz QYAQBRAXIPOLDV-IAGOWNOFSA-N 1 0 477.426 4.850 20 30 JJEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCCC1 ZINC001360519425 1065486799 /nfs/dbraw/zinc/48/67/99/1065486799.db2.gz MPYFKDRNUFAVKJ-SIKLNZKXSA-N 1 0 463.655 4.634 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)c1 ZINC001437247105 1065524998 /nfs/dbraw/zinc/52/49/98/1065524998.db2.gz WKWXXFBUYSRTHF-UHFFFAOYSA-N 1 0 457.024 4.720 20 30 JJEDRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[N@H+](C)Cc1ccccc1 ZINC001360590208 1065594930 /nfs/dbraw/zinc/59/49/30/1065594930.db2.gz FPYYPGIHKSJQSY-FTBPSBKWSA-N 1 0 478.685 4.847 20 30 JJEDRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001360592347 1065601069 /nfs/dbraw/zinc/60/10/69/1065601069.db2.gz UBIGQDXZUQTXOB-UMEGOILYSA-N 1 0 471.049 4.933 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360593299 1065603256 /nfs/dbraw/zinc/60/32/56/1065603256.db2.gz GJTSABXVHVZEEN-IBGZPJMESA-N 1 0 490.574 4.629 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360595543 1065606692 /nfs/dbraw/zinc/60/66/92/1065606692.db2.gz YXKDEGSBJPFORP-QGZVFWFLSA-N 1 0 489.437 4.709 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC001360598458 1065618482 /nfs/dbraw/zinc/61/84/82/1065618482.db2.gz XTCIWVSHAPZQGC-KRWDZBQOSA-N 1 0 489.437 4.709 20 30 JJEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(SCC#N)c2)cc1 ZINC001438338269 1065711395 /nfs/dbraw/zinc/71/13/95/1065711395.db2.gz PQPAMJISQJTSFL-IZZNHLLZSA-N 1 0 457.599 4.709 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360743274 1065778852 /nfs/dbraw/zinc/77/88/52/1065778852.db2.gz DBFKZBDQAAAFPK-SFTDATJTSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360758287 1065824053 /nfs/dbraw/zinc/82/40/53/1065824053.db2.gz PXLZIDGOMUMCDQ-GERBCZOESA-N 1 0 475.012 4.634 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC[NH+]1CCCCCC1 ZINC001360769652 1065862302 /nfs/dbraw/zinc/86/23/02/1065862302.db2.gz LROVGZWZFGNOIW-FQEVSTJZSA-N 1 0 454.594 4.563 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC[NH+]1CCCCCC1 ZINC001360769653 1065862454 /nfs/dbraw/zinc/86/24/54/1065862454.db2.gz LROVGZWZFGNOIW-HXUWFJFHSA-N 1 0 454.594 4.563 20 30 JJEDRO C[C@@]1(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439759295 1065871973 /nfs/dbraw/zinc/87/19/73/1065871973.db2.gz YTWRQRJUZFIEPD-WIOPSUGQSA-N 1 0 464.491 4.760 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001441355174 1066032440 /nfs/dbraw/zinc/03/24/40/1066032440.db2.gz ARQZOQXSPRUVHJ-RXVVDRJESA-N 1 0 450.023 4.713 20 30 JJEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360935571 1066095571 /nfs/dbraw/zinc/09/55/71/1066095571.db2.gz PLFLBQOLQSOUKF-WOJBJXKFSA-N 1 0 477.682 4.976 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360989724 1066163500 /nfs/dbraw/zinc/16/35/00/1066163500.db2.gz JVONQCBGKCNGJJ-WVFSIPRWSA-N 1 0 489.039 4.862 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360989723 1066163506 /nfs/dbraw/zinc/16/35/06/1066163506.db2.gz JVONQCBGKCNGJJ-OYRDERLMSA-N 1 0 489.039 4.862 20 30 JJEDRO C=CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCCN1C(=O)OC(C)(C)C ZINC001442912292 1066239599 /nfs/dbraw/zinc/23/95/99/1066239599.db2.gz WUNSKGVLAWHMBY-HHHXNRCGSA-N 1 0 455.643 4.881 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361032169 1066245746 /nfs/dbraw/zinc/24/57/46/1066245746.db2.gz MOWWANIQIVGHKB-WNCULLNHSA-N 1 0 464.658 4.724 20 30 JJEDRO CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001443290852 1066290338 /nfs/dbraw/zinc/29/03/38/1066290338.db2.gz FKSQWIYRMAMZSI-NRFANRHFSA-N 1 0 457.062 4.933 20 30 JJEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001454538738 1066297876 /nfs/dbraw/zinc/29/78/76/1066297876.db2.gz KULIJFWDXSUWDY-RBUKOAKNSA-N 1 0 457.537 4.674 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001361089519 1066336461 /nfs/dbraw/zinc/33/64/61/1066336461.db2.gz WIULPLBSRUKUGQ-OAQYLSRUSA-N 1 0 485.076 4.866 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361128136 1066390915 /nfs/dbraw/zinc/39/09/15/1066390915.db2.gz SUXVQESHFAMTQM-CUNXSJBXSA-N 1 0 464.658 4.903 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361130284 1066395132 /nfs/dbraw/zinc/39/51/32/1066395132.db2.gz LJSJCRJNJMGUKA-PKTZIBPZSA-N 1 0 494.684 4.528 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001444083460 1066402343 /nfs/dbraw/zinc/40/23/43/1066402343.db2.gz CEIRNAWTPFPRDQ-UYAOXDASSA-N 1 0 450.023 4.802 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001444083459 1066402390 /nfs/dbraw/zinc/40/23/90/1066402390.db2.gz CEIRNAWTPFPRDQ-QUCCMNQESA-N 1 0 450.023 4.802 20 30 JJEDRO C#CCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444125912 1066410449 /nfs/dbraw/zinc/41/04/49/1066410449.db2.gz VDYNGHMVBLCOLE-HXUWFJFHSA-N 1 0 452.352 4.653 20 30 JJEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180986 1066426929 /nfs/dbraw/zinc/42/69/29/1066426929.db2.gz YBPSBFOJVPMWCJ-NHCUHLMSSA-N 1 0 457.062 4.931 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361145417 1066428159 /nfs/dbraw/zinc/42/81/59/1066428159.db2.gz XJEDQBZPGJXGAQ-TZIWHRDSSA-N 1 0 452.628 4.577 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361152251 1066446025 /nfs/dbraw/zinc/44/60/25/1066446025.db2.gz JUBUYFDMHQCMBS-ZRZAMGCNSA-N 1 0 478.685 4.972 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361155957 1066456969 /nfs/dbraw/zinc/45/69/69/1066456969.db2.gz JPYHJQGFTKFDEX-MRCUYLHHSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361156073 1066457527 /nfs/dbraw/zinc/45/75/27/1066457527.db2.gz MKMOHZJJQWQEFX-MHZLTWQESA-N 1 0 464.658 4.726 20 30 JJEDRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCCC[NH+]2CCCC2)cc1Br ZINC001361175198 1066492220 /nfs/dbraw/zinc/49/22/20/1066492220.db2.gz GGNKQJZMFBNRJZ-SFHVURJKSA-N 1 0 473.463 4.878 20 30 JJEDRO Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361204500 1066535635 /nfs/dbraw/zinc/53/56/35/1066535635.db2.gz YIEBVHOQBNGKFK-SFHVURJKSA-N 1 0 485.474 4.878 20 30 JJEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC001361278788 1066636632 /nfs/dbraw/zinc/63/66/32/1066636632.db2.gz HHTCVIPZNBYNTE-UHFFFAOYSA-N 1 0 452.480 4.746 20 30 JJEDRO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2CCC(C)CC2)s1 ZINC001492695437 1066842228 /nfs/dbraw/zinc/84/22/28/1066842228.db2.gz BISAOUSTWIURST-UHFFFAOYSA-N 1 0 463.655 4.730 20 30 JJEDRO Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457742535 1066908611 /nfs/dbraw/zinc/90/86/11/1066908611.db2.gz GLVBTFSDWOSYLZ-UHFFFAOYSA-N 1 0 455.562 4.837 20 30 JJEDRO N#Cc1cc2cccnc2nc1NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001458101553 1066975758 /nfs/dbraw/zinc/97/57/58/1066975758.db2.gz OUFGZOVRRMYHBE-UHFFFAOYSA-N 1 0 454.500 4.535 20 30 JJEDRO N#Cc1ccc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)c1Br ZINC001458169146 1066994697 /nfs/dbraw/zinc/99/46/97/1066994697.db2.gz QPQHLOJCRLMLMF-UHFFFAOYSA-N 1 0 451.771 4.737 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545805701 1067120923 /nfs/dbraw/zinc/12/09/23/1067120923.db2.gz QYMZIDHEJCFWMU-JXFKEZNVSA-N 1 0 461.452 4.812 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545807146 1067124160 /nfs/dbraw/zinc/12/41/60/1067124160.db2.gz BKNOAIJSYLFODP-JWQCQUIFSA-N 1 0 478.685 4.826 20 30 JJEDRO Cc1ccc(CSc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)cc1C#N ZINC001458810977 1067151859 /nfs/dbraw/zinc/15/18/59/1067151859.db2.gz KAYMMXDZNWQCGG-UHFFFAOYSA-N 1 0 452.649 4.761 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545819576 1067154725 /nfs/dbraw/zinc/15/47/25/1067154725.db2.gz IGMUNHLBEYDUTA-JYFHCDHNSA-N 1 0 452.647 4.662 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545819578 1067154861 /nfs/dbraw/zinc/15/48/61/1067154861.db2.gz IGMUNHLBEYDUTA-ZEQKJWHPSA-N 1 0 452.647 4.662 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545822012 1067162860 /nfs/dbraw/zinc/16/28/60/1067162860.db2.gz QVPFSCNFYCLNGF-SRCYTUNASA-N 1 0 458.695 4.693 20 30 JJEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459905196 1067482412 /nfs/dbraw/zinc/48/24/12/1067482412.db2.gz YYXUEUIZGKOPIQ-FPOVZHCZSA-N 1 0 450.652 4.670 20 30 JJEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)ccc2c1 ZINC001460045923 1067538412 /nfs/dbraw/zinc/53/84/12/1067538412.db2.gz BEXIJVXXIYMCHU-HXUWFJFHSA-N 1 0 457.574 4.610 20 30 JJEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C ZINC001460125148 1067560019 /nfs/dbraw/zinc/56/00/19/1067560019.db2.gz FDEZOVCJUXGZFR-LLZSMSLNSA-N 1 0 462.619 4.888 20 30 JJEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460300638 1067601792 /nfs/dbraw/zinc/60/17/92/1067601792.db2.gz HCBGNYPUQSEOSB-LEWJYISDSA-N 1 0 453.970 4.598 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC([N@H+](CCCOc2ccc(C#N)cc2)Cc2ccccn2)CC1 ZINC001460303730 1067603338 /nfs/dbraw/zinc/60/33/38/1067603338.db2.gz GQKDYQRLVNATAH-UHFFFAOYSA-N 1 0 450.583 4.624 20 30 JJEDRO N#Cc1cccc(C2([NH2+]CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CCOCC2)c1 ZINC001460453597 1067637464 /nfs/dbraw/zinc/63/74/64/1067637464.db2.gz GWMKVJLTKHVTQM-AREMUKBSSA-N 1 0 459.977 4.713 20 30 JJEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1C ZINC001460461281 1067638494 /nfs/dbraw/zinc/63/84/94/1067638494.db2.gz XDOPCTLYCTUJTE-FYYLOGMGSA-N 1 0 470.658 4.956 20 30 JJEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776317 1067721674 /nfs/dbraw/zinc/72/16/74/1067721674.db2.gz VUMGTIFCWBRNDT-GUDVDZBRSA-N 1 0 460.644 4.502 20 30 JJEDRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 ZINC001460870701 1067739166 /nfs/dbraw/zinc/73/91/66/1067739166.db2.gz QNCJBNCYIVDAJQ-AREMUKBSSA-N 1 0 450.966 4.883 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCS1 ZINC001546121088 1067771006 /nfs/dbraw/zinc/77/10/06/1067771006.db2.gz KPSWDJXLTJZRAK-QHCPKHFHSA-N 1 0 496.725 4.961 20 30 JJEDRO C#CCOc1ccc(Br)cc1CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC001461094776 1067781034 /nfs/dbraw/zinc/78/10/34/1067781034.db2.gz FXVWQNWQPRMAAD-UHFFFAOYSA-N 1 0 454.412 4.605 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC001461707828 1067922787 /nfs/dbraw/zinc/92/27/87/1067922787.db2.gz QEDAXWNKOHOBKZ-OAQYLSRUSA-N 1 0 454.792 4.759 20 30 JJEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291541 1068044394 /nfs/dbraw/zinc/04/43/94/1068044394.db2.gz GVVZOMAIPOBGGH-XUZZJYLKSA-N 1 0 452.982 4.879 20 30 JJEDRO CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463835973 1068541578 /nfs/dbraw/zinc/54/15/78/1068541578.db2.gz GZECLOBHLHPJRU-SEYXRHQNSA-N 1 0 454.574 4.643 20 30 JJEDRO C=CC1(CC(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671975 1068819859 /nfs/dbraw/zinc/81/98/59/1068819859.db2.gz CVKGHFYCTAOHPJ-QHCPKHFHSA-N 1 0 455.643 4.703 20 30 JJEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622488 719112922 /nfs/dbraw/zinc/11/29/22/719112922.db2.gz CAZNZGXWROLRJS-GOEBONIOSA-N 1 0 471.861 4.666 20 30 JJEDRO CCCc1cc(C#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164681029 719671029 /nfs/dbraw/zinc/67/10/29/719671029.db2.gz ISFMCYWHUJEXNQ-NRFANRHFSA-N 1 0 494.083 4.653 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164710861 720138853 /nfs/dbraw/zinc/13/88/53/720138853.db2.gz FDSLHBQDYLDTQH-HXUWFJFHSA-N 1 0 461.997 4.662 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164714049 720159490 /nfs/dbraw/zinc/15/94/90/720159490.db2.gz NUXBXOCTTBSROZ-NRFANRHFSA-N 1 0 476.024 4.971 20 30 JJEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001164823788 720321787 /nfs/dbraw/zinc/32/17/87/720321787.db2.gz BFPMPKMVFBDRRD-RPWUZVMVSA-N 1 0 485.657 4.746 20 30 JJEDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843277 720653481 /nfs/dbraw/zinc/65/34/81/720653481.db2.gz VTVNZENOCHNTGF-XGHQBKJUSA-N 1 0 469.420 4.988 20 30 JJEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164839851 720653692 /nfs/dbraw/zinc/65/36/92/720653692.db2.gz KHNQGNBLLCYPJI-WCJKSRRJSA-N 1 0 470.955 4.612 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844255 720664528 /nfs/dbraw/zinc/66/45/28/720664528.db2.gz ZLKYQALIXQPMEA-FTJBHMTQSA-N 1 0 467.617 4.700 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763292 721143653 /nfs/dbraw/zinc/14/36/53/721143653.db2.gz FASRWQVVNIMUTC-IFMALSPDSA-N 1 0 454.603 4.527 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870850 721194718 /nfs/dbraw/zinc/19/47/18/721194718.db2.gz WQHNWEQMCMYNPS-GOTSBHOMSA-N 1 0 495.961 4.693 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870849 721194801 /nfs/dbraw/zinc/19/48/01/721194801.db2.gz WQHNWEQMCMYNPS-DHIUTWEWSA-N 1 0 495.961 4.693 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164791729 721473984 /nfs/dbraw/zinc/47/39/84/721473984.db2.gz YBYBVQLJCABLEJ-FQEVSTJZSA-N 1 0 487.019 4.633 20 30 JJEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014495 721767443 /nfs/dbraw/zinc/76/74/43/721767443.db2.gz GOBMOVLUFCIKFZ-UHFFFAOYSA-N 1 0 497.889 4.840 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027819 721817215 /nfs/dbraw/zinc/81/72/15/721817215.db2.gz VYYRGADTSQXHOI-OYDLWJJNSA-N 1 0 470.646 4.869 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001165029057 721825170 /nfs/dbraw/zinc/82/51/70/721825170.db2.gz WSGBAYMJDSNRBO-SAAIGDAKSA-N 1 0 467.617 4.859 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359712472 1064261051 /nfs/dbraw/zinc/26/10/51/1064261051.db2.gz UGJHWJIYQBQWTN-LOSJGSFVSA-N 1 0 478.685 4.827 20 30 JJEDRO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359732483 1064287086 /nfs/dbraw/zinc/28/70/86/1064287086.db2.gz FSBGFLYNICKWKY-QHCPKHFHSA-N 1 0 464.658 4.723 20 30 JJEDRO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359733467 1064291064 /nfs/dbraw/zinc/29/10/64/1064291064.db2.gz YYBAMFYXQSHCAG-ZJSXRUAMSA-N 1 0 478.666 4.966 20 30 JJEDRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359738373 1064301637 /nfs/dbraw/zinc/30/16/37/1064301637.db2.gz SPJZJNKVMJHAIU-LOSJGSFVSA-N 1 0 464.658 4.864 20 30 JJEDRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2Cl)CC1 ZINC001434885445 1064317696 /nfs/dbraw/zinc/31/76/96/1064317696.db2.gz WFPWAOMASISFER-DEOSSOPVSA-N 1 0 455.002 4.786 20 30 JJEDRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359764418 1064383207 /nfs/dbraw/zinc/38/32/07/1064383207.db2.gz APCFMUSHODZJBX-PZJWPPBQSA-N 1 0 456.610 4.664 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359766321 1064390922 /nfs/dbraw/zinc/39/09/22/1064390922.db2.gz LKSHXGNERBXDEC-FQEVSTJZSA-N 1 0 473.463 4.814 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817389 1064499966 /nfs/dbraw/zinc/49/99/66/1064499966.db2.gz CGVZKMBPWDGYRE-YADHBBJMSA-N 1 0 464.658 4.516 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359818242 1064501691 /nfs/dbraw/zinc/50/16/91/1064501691.db2.gz XBESKUHZDLIIEH-DHIUTWEWSA-N 1 0 478.685 4.764 20 30 JJEDRO CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435188233 1064577403 /nfs/dbraw/zinc/57/74/03/1064577403.db2.gz BZNPLBMHPQKNFP-HSZRJFAPSA-N 1 0 452.558 4.644 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001359926529 1064659333 /nfs/dbraw/zinc/65/93/33/1064659333.db2.gz RHXPNZVRWMSJNQ-DEOSSOPVSA-N 1 0 466.674 4.633 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001359948229 1064699248 /nfs/dbraw/zinc/69/92/48/1064699248.db2.gz KKKPMKKPFURRTE-UHFFFAOYSA-N 1 0 471.653 4.530 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC001359948593 1064700684 /nfs/dbraw/zinc/70/06/84/1064700684.db2.gz PATNNBYTILPVMM-SANMLTNESA-N 1 0 478.685 4.684 20 30 JJEDRO CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+]2CCOCC2)CCCCC1)C(C)C ZINC001359985148 1064763913 /nfs/dbraw/zinc/76/39/13/1064763913.db2.gz HXYIALYSTJCLQU-UHFFFAOYSA-N 1 0 464.658 4.723 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360010911 1064805210 /nfs/dbraw/zinc/80/52/10/1064805210.db2.gz YAXBSMCCFFHOPN-OAQYLSRUSA-N 1 0 452.672 4.517 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435567479 1064838677 /nfs/dbraw/zinc/83/86/77/1064838677.db2.gz UVFWTIKZAMRMJD-IAGOWNOFSA-N 1 0 450.073 4.960 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001360035490 1064841248 /nfs/dbraw/zinc/84/12/48/1064841248.db2.gz PRRVMFJBHCNJJI-UHFFFAOYSA-N 1 0 452.480 4.843 20 30 JJEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675491 1064928551 /nfs/dbraw/zinc/92/85/51/1064928551.db2.gz WHSMJFOSJWQDNK-GJZUVCINSA-N 1 0 457.615 4.666 20 30 JJEDRO CC(C)CSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360080968 1064939468 /nfs/dbraw/zinc/93/94/68/1064939468.db2.gz XAXPONYJOGMGPM-UHFFFAOYSA-N 1 0 452.672 4.661 20 30 JJEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(C#N)CC1 ZINC001360106692 1064987964 /nfs/dbraw/zinc/98/79/64/1064987964.db2.gz NMSNQLJBVBDPHW-UHFFFAOYSA-N 1 0 462.598 4.587 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC001360123609 1065014888 /nfs/dbraw/zinc/01/48/88/1065014888.db2.gz KNUYQNFPWOZJSR-UHFFFAOYSA-N 1 0 490.574 4.673 20 30 JJEDRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001360125189 1065017075 /nfs/dbraw/zinc/01/70/75/1065017075.db2.gz BOYFSUBYPHBLAS-UHFFFAOYSA-N 1 0 484.092 4.906 20 30 JJEDRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC001360133313 1065028843 /nfs/dbraw/zinc/02/88/43/1065028843.db2.gz REOHEJCYXHOHKX-UHFFFAOYSA-N 1 0 450.631 4.584 20 30 JJEDRO CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C ZINC001360135274 1065031502 /nfs/dbraw/zinc/03/15/02/1065031502.db2.gz UPKWFQVIFMQGAF-JOCHJYFZSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1)C(C)C ZINC001360137563 1065033587 /nfs/dbraw/zinc/03/35/87/1065033587.db2.gz UKGQOMJSEQNAJL-LOSJGSFVSA-N 1 0 464.658 4.579 20 30 JJEDRO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC001436211306 1065254193 /nfs/dbraw/zinc/25/41/93/1065254193.db2.gz GKJHBULEEPMION-LJQANCHMSA-N 1 0 452.274 4.714 20 30 JJEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360409954 1065273746 /nfs/dbraw/zinc/27/37/46/1065273746.db2.gz ZABULWVQOLXUFU-FCHUYYIVSA-N 1 0 490.574 4.657 20 30 JJEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428940 1065317118 /nfs/dbraw/zinc/31/71/18/1065317118.db2.gz BTBMSVMKQUZGKX-AREMUKBSSA-N 1 0 455.606 4.549 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001360470185 1065387619 /nfs/dbraw/zinc/38/76/19/1065387619.db2.gz NFEHUZAUUBTRNF-AWEZNQCLSA-N 1 0 465.827 4.584 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001360470523 1065388860 /nfs/dbraw/zinc/38/88/60/1065388860.db2.gz RFACFUDXGSIJJY-GOSISDBHSA-N 1 0 490.624 4.646 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360470885 1065389799 /nfs/dbraw/zinc/38/97/99/1065389799.db2.gz WRKPYRYRCNHOOB-JZWVFAODSA-N 1 0 459.623 4.700 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360470903 1065389815 /nfs/dbraw/zinc/38/98/15/1065389815.db2.gz XDYBMKIYBVBTBE-QAPCUYQASA-N 1 0 460.554 4.649 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001360471631 1065391589 /nfs/dbraw/zinc/39/15/89/1065391589.db2.gz LJTDEOCCCZNDQP-AEFFLSMTSA-N 1 0 456.019 4.630 20 30 JJEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001360505429 1065440739 /nfs/dbraw/zinc/44/07/39/1065440739.db2.gz OEFRANHAYMPFJQ-HSALFYBXSA-N 1 0 456.585 4.809 20 30 JJEDRO C[C@@H](CCn1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510392 1065454359 /nfs/dbraw/zinc/45/43/59/1065454359.db2.gz JQXCSTKIKXZAKE-FQEVSTJZSA-N 1 0 484.092 4.692 20 30 JJEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCCC1 ZINC001360519426 1065486825 /nfs/dbraw/zinc/48/68/25/1065486825.db2.gz MPYFKDRNUFAVKJ-UGKGYDQZSA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001437245107 1065524859 /nfs/dbraw/zinc/52/48/59/1065524859.db2.gz PSNLUZFCSZTXFE-QFIPXVFZSA-N 1 0 453.586 4.697 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360602464 1065627058 /nfs/dbraw/zinc/62/70/58/1065627058.db2.gz OQIHIJQXGMTXDN-LJQANCHMSA-N 1 0 488.558 4.550 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001360645726 1065721016 /nfs/dbraw/zinc/72/10/16/1065721016.db2.gz KPTCMBSVMNEQEI-MZNJEOGPSA-N 1 0 467.980 4.565 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360741525 1065775530 /nfs/dbraw/zinc/77/55/30/1065775530.db2.gz PZWDAUHPHVKISF-VQTJNVASSA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360750303 1065794806 /nfs/dbraw/zinc/79/48/06/1065794806.db2.gz VTACJAOQXYEOCT-IBGZPJMESA-N 1 0 480.588 4.628 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001360768166 1065858235 /nfs/dbraw/zinc/85/82/35/1065858235.db2.gz YJNPKWRLHGUEOM-NRFANRHFSA-N 1 0 468.621 4.953 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001360775232 1065876713 /nfs/dbraw/zinc/87/67/13/1065876713.db2.gz RJSHCTRTDVPDPV-LVXARBLLSA-N 1 0 468.621 4.953 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360775506 1065878222 /nfs/dbraw/zinc/87/82/22/1065878222.db2.gz VPGDQBCIJFYDPB-NHZRIVAWSA-N 1 0 468.621 4.808 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360851147 1065963741 /nfs/dbraw/zinc/96/37/41/1065963741.db2.gz CINKTGWIWWVHMN-UHFFFAOYSA-N 1 0 483.458 4.960 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1C ZINC001360870199 1066001063 /nfs/dbraw/zinc/00/10/63/1066001063.db2.gz NJPIOHLKWSSLJP-QFIPXVFZSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360873347 1066008555 /nfs/dbraw/zinc/00/85/55/1066008555.db2.gz HBNONVKCSZSIMI-BKMJKUGQSA-N 1 0 470.637 4.986 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360874696 1066014960 /nfs/dbraw/zinc/01/49/60/1066014960.db2.gz TUWJIOKUTLUYKC-RBBKRZOGSA-N 1 0 450.631 4.649 20 30 JJEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 ZINC001441330216 1066029489 /nfs/dbraw/zinc/02/94/89/1066029489.db2.gz ZKNMBXSFHGRWRU-SFTDATJTSA-N 1 0 455.558 4.890 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001441355176 1066032613 /nfs/dbraw/zinc/03/26/13/1066032613.db2.gz ARQZOQXSPRUVHJ-WIYYLYMNSA-N 1 0 450.023 4.713 20 30 JJEDRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)C[NH+](C)C ZINC001360907277 1066061822 /nfs/dbraw/zinc/06/18/22/1066061822.db2.gz APIVMMMIBFMLBI-KRWDZBQOSA-N 1 0 451.644 4.561 20 30 JJEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360935824 1066095523 /nfs/dbraw/zinc/09/55/23/1066095523.db2.gz YDTWJWQXIJEYRD-IBGZPJMESA-N 1 0 463.636 4.583 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001442385260 1066122002 /nfs/dbraw/zinc/12/20/02/1066122002.db2.gz JENWVYYUGJRPSL-OAQYLSRUSA-N 1 0 450.023 4.715 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361027303 1066229529 /nfs/dbraw/zinc/22/95/29/1066229529.db2.gz AWWHFNRERPAXPN-HSZRJFAPSA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361032308 1066245820 /nfs/dbraw/zinc/24/58/20/1066245820.db2.gz QCEMSDZKDJRRJW-WNCULLNHSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001361084445 1066322817 /nfs/dbraw/zinc/32/28/17/1066322817.db2.gz SBXSRRCKFGSQNR-QFIPXVFZSA-N 1 0 473.625 4.564 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361088275 1066329965 /nfs/dbraw/zinc/32/99/65/1066329965.db2.gz HEOIOTFLEISAPX-FQRUVTKNSA-N 1 0 485.076 4.864 20 30 JJEDRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545960851 1066345211 /nfs/dbraw/zinc/34/52/11/1066345211.db2.gz LAIGWLJKKSKDAK-NRFANRHFSA-N 1 0 471.447 4.712 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361123319 1066373545 /nfs/dbraw/zinc/37/35/45/1066373545.db2.gz XISUXDCHKRQUJX-YADHBBJMSA-N 1 0 452.647 4.759 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361145415 1066427979 /nfs/dbraw/zinc/42/79/79/1066427979.db2.gz XJEDQBZPGJXGAQ-FPOVZHCZSA-N 1 0 452.628 4.577 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361152734 1066447277 /nfs/dbraw/zinc/44/72/77/1066447277.db2.gz QAICVOWQDPNEDU-QFIPXVFZSA-N 1 0 478.666 4.968 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361155904 1066456864 /nfs/dbraw/zinc/45/68/64/1066456864.db2.gz IOJSYWMVWTWVCQ-YIXXDRMTSA-N 1 0 464.658 4.869 20 30 JJEDRO N#Cc1ccc(Nc2cccc(C(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)c2)cc1 ZINC001446964691 1066759352 /nfs/dbraw/zinc/75/93/52/1066759352.db2.gz VEYTYJVXDZEIMV-UHFFFAOYSA-N 1 0 454.574 4.749 20 30 JJEDRO Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492665292 1066786565 /nfs/dbraw/zinc/78/65/65/1066786565.db2.gz CUHQVWDKHXYMFT-SFTDATJTSA-N 1 0 491.709 4.900 20 30 JJEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829437 1066960339 /nfs/dbraw/zinc/96/03/39/1066960339.db2.gz LEUBAMIBYSTMAR-ZRJLEYOISA-N 1 0 479.068 4.843 20 30 JJEDRO C[N@H+](CCOc1cccc(CNc2cc(C(F)(F)F)c(F)cc2C#N)c1)C1CCOCC1 ZINC001458157819 1066992287 /nfs/dbraw/zinc/99/22/87/1066992287.db2.gz RFCYTAGKRXTWJX-UHFFFAOYSA-N 1 0 451.464 4.818 20 30 JJEDRO CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545736937 1067001290 /nfs/dbraw/zinc/00/12/90/1067001290.db2.gz XPEKLKFOOBOUDC-CQOQZXRMSA-N 1 0 478.685 4.838 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001458347529 1067038386 /nfs/dbraw/zinc/03/83/86/1067038386.db2.gz HQIXYCYHZMAIRU-WIOPSUGQSA-N 1 0 455.606 4.721 20 30 JJEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC001450546593 1067089576 /nfs/dbraw/zinc/08/95/76/1067089576.db2.gz QLTNDMIWCQMDQA-MHZLTWQESA-N 1 0 457.574 4.957 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545807085 1067123659 /nfs/dbraw/zinc/12/36/59/1067123659.db2.gz ALVOBFIBFPRPNV-NRFANRHFSA-N 1 0 491.453 4.953 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545807242 1067125153 /nfs/dbraw/zinc/12/51/53/1067125153.db2.gz DQCIDPXEJJSAMJ-XZOQPEGZSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001545807874 1067129434 /nfs/dbraw/zinc/12/94/34/1067129434.db2.gz PBVDWHDSHNHCII-VWLOTQADSA-N 1 0 464.658 4.580 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807890 1067129608 /nfs/dbraw/zinc/12/96/08/1067129608.db2.gz PEMAXDUIYUSEFW-YIXXDRMTSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001545808190 1067132219 /nfs/dbraw/zinc/13/22/19/1067132219.db2.gz ULTVOXANSGWJHA-OXJNMPFZSA-N 1 0 461.452 4.670 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545819455 1067154781 /nfs/dbraw/zinc/15/47/81/1067154781.db2.gz GIQRNCAPFGLMRQ-RDPSFJRHSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545822010 1067162495 /nfs/dbraw/zinc/16/24/95/1067162495.db2.gz QVPFSCNFYCLNGF-BILGYAHESA-N 1 0 458.695 4.693 20 30 JJEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC001453169739 1067285293 /nfs/dbraw/zinc/28/52/93/1067285293.db2.gz KMYKRNCBFCMUEZ-UHFFFAOYSA-N 1 0 453.970 4.625 20 30 JJEDRO C=CCOc1ccc(C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)(C)C)cc1 ZINC001459747467 1067404521 /nfs/dbraw/zinc/40/45/21/1067404521.db2.gz NODWWMNJKBEDHL-UHFFFAOYSA-N 1 0 451.611 4.717 20 30 JJEDRO CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001546112062 1067435983 /nfs/dbraw/zinc/43/59/83/1067435983.db2.gz BJLADYZCJYTDRV-UHFFFAOYSA-N 1 0 450.631 4.621 20 30 JJEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842299 1067449129 /nfs/dbraw/zinc/44/91/29/1067449129.db2.gz GWPZENIWIGMCJM-BJKOFHAPSA-N 1 0 456.993 4.565 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858547 1067460898 /nfs/dbraw/zinc/46/08/98/1067460898.db2.gz OOLPTXNSQDGOTK-SFTDATJTSA-N 1 0 455.562 4.628 20 30 JJEDRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 ZINC001459937493 1067499124 /nfs/dbraw/zinc/49/91/24/1067499124.db2.gz XEPZXKYPDQGRRK-OAQYLSRUSA-N 1 0 454.574 4.556 20 30 JJEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001459988660 1067516803 /nfs/dbraw/zinc/51/68/03/1067516803.db2.gz JVLMSHXLROQSGB-OAQYLSRUSA-N 1 0 452.352 4.677 20 30 JJEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001460097874 1067554223 /nfs/dbraw/zinc/55/42/23/1067554223.db2.gz HTHZALXLXJWZOX-NRFANRHFSA-N 1 0 451.876 4.926 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119251 1067559017 /nfs/dbraw/zinc/55/90/17/1067559017.db2.gz GSNURBJJEVCESC-DQEYMECFSA-N 1 0 456.590 4.878 20 30 JJEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)sc2c1CCC2 ZINC001460139399 1067563149 /nfs/dbraw/zinc/56/31/49/1067563149.db2.gz LJLPGVCLERYAPJ-MRXNPFEDSA-N 1 0 458.425 4.764 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211593 1067580476 /nfs/dbraw/zinc/58/04/76/1067580476.db2.gz GWSVEIGHUVTDQE-SFTDATJTSA-N 1 0 451.571 4.610 20 30 JJEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001460887769 1067743491 /nfs/dbraw/zinc/74/34/91/1067743491.db2.gz GHWGGCQYFJPFPE-QFIPXVFZSA-N 1 0 453.627 4.746 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CCS1 ZINC001546120933 1067765080 /nfs/dbraw/zinc/76/50/80/1067765080.db2.gz FEECEXHIEUNLEM-UHFFFAOYSA-N 1 0 482.698 4.717 20 30 JJEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1OC ZINC001461153335 1067790235 /nfs/dbraw/zinc/79/02/35/1067790235.db2.gz BHVYZWIITOYYSF-UHFFFAOYSA-N 1 0 454.748 4.737 20 30 JJEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c(-c2ccccc2)n1 ZINC001461219258 1067802023 /nfs/dbraw/zinc/80/20/23/1067802023.db2.gz UPGSZCPRMFZYOM-FQEVSTJZSA-N 1 0 450.384 4.595 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001461668601 1067914629 /nfs/dbraw/zinc/91/46/29/1067914629.db2.gz MRHVLMXVHDMGPV-TZRRMPRUSA-N 1 0 452.643 4.536 20 30 JJEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC001462925534 1068216726 /nfs/dbraw/zinc/21/67/26/1068216726.db2.gz NRIAQYBGPWJWNI-SFHVURJKSA-N 1 0 459.921 4.592 20 30 JJEDRO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464398141 1068731357 /nfs/dbraw/zinc/73/13/57/1068731357.db2.gz IRQAUEURKHMFTI-HFZDXXHNSA-N 1 0 453.590 4.863 20 30 JJEDRO N#Cc1cccnc1NCc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001464518499 1068771220 /nfs/dbraw/zinc/77/12/20/1068771220.db2.gz LTZONHZVMPXAFU-UHFFFAOYSA-N 1 0 453.590 4.871 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618736 719049441 /nfs/dbraw/zinc/04/94/41/719049441.db2.gz BGJKWNGGIYFCGR-QPPBQGQZSA-N 1 0 465.935 4.797 20 30 JJEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622501 719113432 /nfs/dbraw/zinc/11/34/32/719113432.db2.gz CAZNZGXWROLRJS-ZBFHGGJFSA-N 1 0 471.861 4.666 20 30 JJEDRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)c2c1CC[NH2+]C2 ZINC001164681028 719654609 /nfs/dbraw/zinc/65/46/09/719654609.db2.gz LUJPAIXCGJLIAE-UHFFFAOYSA-N 1 0 470.955 4.554 20 30 JJEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(-c4cccs4)ccc3C#N)CC2)c2ccccc21 ZINC001164680426 719677748 /nfs/dbraw/zinc/67/77/48/719677748.db2.gz DWJWSESIUCCXRA-JOCHJYFZSA-N 1 0 499.684 4.775 20 30 JJEDRO C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@@H]2CC ZINC001164703599 719824640 /nfs/dbraw/zinc/82/46/40/719824640.db2.gz WIVSFOJOVFSLRB-NFBKMPQASA-N 1 0 464.988 4.583 20 30 JJEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730950 720417264 /nfs/dbraw/zinc/41/72/64/720417264.db2.gz KALHUEUNRWDDRC-ZEQRLZLVSA-N 1 0 475.713 4.543 20 30 JJEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164839830 720653599 /nfs/dbraw/zinc/65/35/99/720653599.db2.gz KHNQGNBLLCYPJI-VVBPWWLESA-N 1 0 470.955 4.612 20 30 JJEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164843275 720653670 /nfs/dbraw/zinc/65/36/70/720653670.db2.gz VTVNZENOCHNTGF-WWMYMODYSA-N 1 0 469.420 4.988 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164839711 720699682 /nfs/dbraw/zinc/69/96/82/720699682.db2.gz BLELCIXFGXONMB-HSZRJFAPSA-N 1 0 485.657 4.997 20 30 JJEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164749567 720894358 /nfs/dbraw/zinc/89/43/58/720894358.db2.gz AIEBTXBQDUKDBV-IGKIAQTJSA-N 1 0 480.056 4.709 20 30 JJEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164749586 720894704 /nfs/dbraw/zinc/89/47/04/720894704.db2.gz AIEBTXBQDUKDBV-RPLLCQBOSA-N 1 0 480.056 4.709 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751409 720911873 /nfs/dbraw/zinc/91/18/73/720911873.db2.gz MHGMGLAFFQKKKP-CUBQBAPOSA-N 1 0 485.657 4.832 20 30 JJEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001164759991 721046626 /nfs/dbraw/zinc/04/66/26/721046626.db2.gz SUPZVEVZCJPESJ-HSZRJFAPSA-N 1 0 475.637 4.617 20 30 JJEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864068 721096127 /nfs/dbraw/zinc/09/61/27/721096127.db2.gz DXKFKABBXXFPOM-PKTZIBPZSA-N 1 0 467.598 4.710 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870592 721195736 /nfs/dbraw/zinc/19/57/36/721195736.db2.gz VUOCAAQZZCMMJO-XZOQPEGZSA-N 1 0 495.961 4.693 20 30 JJEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886631 721415554 /nfs/dbraw/zinc/41/55/54/721415554.db2.gz KIANHEYOZYEOFH-QDPGVEIFSA-N 1 0 487.673 4.600 20 30 JJEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164795489 721497184 /nfs/dbraw/zinc/49/71/84/721497184.db2.gz IXZYDUQKMZOGFY-QHCPKHFHSA-N 1 0 456.569 4.547 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904711 721567842 /nfs/dbraw/zinc/56/78/42/721567842.db2.gz FJBGCJCCTHXSNU-TZIWHRDSSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164912924 721735215 /nfs/dbraw/zinc/73/52/15/721735215.db2.gz RGLNBIMMYYWCPS-DEOSSOPVSA-N 1 0 496.949 4.927 20 30 JJEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911202 721735396 /nfs/dbraw/zinc/73/53/96/721735396.db2.gz IQPBETIVMNCPRT-DEOSSOPVSA-N 1 0 496.949 4.927 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164912636 721737339 /nfs/dbraw/zinc/73/73/39/721737339.db2.gz OZPORAQMXWCNPV-VWLOTQADSA-N 1 0 451.565 4.700 20 30 JJEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)CC1 ZINC001165012901 721749608 /nfs/dbraw/zinc/74/96/08/721749608.db2.gz RCMFWGYEINMSQS-UHFFFAOYSA-N 1 0 479.628 4.810 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165026589 721802270 /nfs/dbraw/zinc/80/22/70/721802270.db2.gz RJBHIQOKUPGPKS-UQBYDPJISA-N 1 0 452.606 4.572 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165026591 721802391 /nfs/dbraw/zinc/80/23/91/721802391.db2.gz RJBHIQOKUPGPKS-WVAUJHLCSA-N 1 0 452.606 4.572 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001165029056 721824972 /nfs/dbraw/zinc/82/49/72/721824972.db2.gz WSGBAYMJDSNRBO-RYRVMRHHSA-N 1 0 467.617 4.859 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165030249 721845249 /nfs/dbraw/zinc/84/52/49/721845249.db2.gz FZNGSAUCZJDCLJ-UHFFFAOYSA-N 1 0 493.995 4.912 20 30 JJEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164962033 722024494 /nfs/dbraw/zinc/02/44/94/722024494.db2.gz OJIUKYMGTUXLMR-UHFFFAOYSA-N 1 0 460.969 4.681 20 30 JJEDRO N#Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975679 722122688 /nfs/dbraw/zinc/12/26/88/722122688.db2.gz KGACOUQFWGKANO-WIOPSUGQSA-N 1 0 481.625 4.957 20 30 JJEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972643 722159503 /nfs/dbraw/zinc/15/95/03/722159503.db2.gz IUYFYOKYZHVSIV-LAUBAEHRSA-N 1 0 468.388 4.536 20 30 JJEDRO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359738372 1064301624 /nfs/dbraw/zinc/30/16/24/1064301624.db2.gz SPJZJNKVMJHAIU-JWQCQUIFSA-N 1 0 464.658 4.864 20 30 JJEDRO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001359745915 1064321221 /nfs/dbraw/zinc/32/12/21/1064321221.db2.gz UPQUMPXXCVIYHV-RBBKRZOGSA-N 1 0 464.639 4.575 20 30 JJEDRO CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974453 1064388817 /nfs/dbraw/zinc/38/88/17/1064388817.db2.gz FZWWXKKZOUFGPC-HSZRJFAPSA-N 1 0 454.412 4.766 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001359766896 1064395351 /nfs/dbraw/zinc/39/53/51/1064395351.db2.gz WZNWULIUCMQEBS-KKSFZXQISA-N 1 0 453.393 4.670 20 30 JJEDRO CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359795991 1064455433 /nfs/dbraw/zinc/45/54/33/1064455433.db2.gz RPMFHNJKJOJNLG-SZPZYZBQSA-N 1 0 476.669 4.530 20 30 JJEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1Cl ZINC001435080001 1064502253 /nfs/dbraw/zinc/50/22/53/1064502253.db2.gz MISPNBWFAZFFAC-UHFFFAOYSA-N 1 0 456.377 4.563 20 30 JJEDRO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359901870 1064612516 /nfs/dbraw/zinc/61/25/16/1064612516.db2.gz DRFDUBBEVYOKCT-SZPZYZBQSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359921792 1064649298 /nfs/dbraw/zinc/64/92/98/1064649298.db2.gz UNVVLFDMKVYNGG-RLWLMLJZSA-N 1 0 452.647 4.722 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccccc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359927061 1064662432 /nfs/dbraw/zinc/66/24/32/1064662432.db2.gz MGUPYKCAWSAUAN-UHFFFAOYSA-N 1 0 464.658 4.746 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359929917 1064667933 /nfs/dbraw/zinc/66/79/33/1064667933.db2.gz REGIMSKOXIOFDE-XMMPIXPASA-N 1 0 465.646 4.597 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001359947407 1064696538 /nfs/dbraw/zinc/69/65/38/1064696538.db2.gz KTJQVQGBJNDGLD-UHFFFAOYSA-N 1 0 459.642 4.705 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435336413 1064707587 /nfs/dbraw/zinc/70/75/87/1064707587.db2.gz AKKJIGATXFUCBQ-DNVCBOLYSA-N 1 0 450.073 4.865 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC001360008316 1064797341 /nfs/dbraw/zinc/79/73/41/1064797341.db2.gz PINDIMVUGFZFHD-QHCPKHFHSA-N 1 0 464.658 4.689 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001360034472 1064839131 /nfs/dbraw/zinc/83/91/31/1064839131.db2.gz BAUOSASZMDXAPB-UHFFFAOYSA-N 1 0 458.509 4.905 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036158 1064844383 /nfs/dbraw/zinc/84/43/83/1064844383.db2.gz UPPIXQDPNCJPEG-QHCPKHFHSA-N 1 0 478.666 4.650 20 30 JJEDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001360058424 1064893864 /nfs/dbraw/zinc/89/38/64/1064893864.db2.gz RPGVUMJZEPABND-RUZDIDTESA-N 1 0 464.658 4.580 20 30 JJEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675475 1064927992 /nfs/dbraw/zinc/92/79/92/1064927992.db2.gz WHSMJFOSJWQDNK-ATIYNZHBSA-N 1 0 457.615 4.666 20 30 JJEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360092769 1064964179 /nfs/dbraw/zinc/96/41/79/1064964179.db2.gz SANHIJDQQOXZJX-UHFFFAOYSA-N 1 0 497.569 4.835 20 30 JJEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)CC1 ZINC001360144344 1065045880 /nfs/dbraw/zinc/04/58/80/1065045880.db2.gz FLDGOXAAQBDDEF-UHFFFAOYSA-N 1 0 485.455 4.610 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001360469366 1065384687 /nfs/dbraw/zinc/38/46/87/1065384687.db2.gz BIMOGYYRMCPGGN-JKSUJKDBSA-N 1 0 489.443 4.938 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001360470186 1065387394 /nfs/dbraw/zinc/38/73/94/1065387394.db2.gz NFEHUZAUUBTRNF-CQSZACIVSA-N 1 0 465.827 4.584 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360470139 1065387582 /nfs/dbraw/zinc/38/75/82/1065387582.db2.gz LXHMWIXXXAYZKN-BEFAXECRSA-N 1 0 473.444 4.810 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360478710 1065395912 /nfs/dbraw/zinc/39/59/12/1065395912.db2.gz MSBMPROEMYXWID-QPPBQGQZSA-N 1 0 462.667 4.971 20 30 JJEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505006 1065438248 /nfs/dbraw/zinc/43/82/48/1065438248.db2.gz GJPULDAQPVXPMY-ZJSXRUAMSA-N 1 0 464.658 4.865 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505947 1065443137 /nfs/dbraw/zinc/44/31/37/1065443137.db2.gz YFSRDKXDNNDPSR-MSOLQXFVSA-N 1 0 459.436 4.710 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Cl)cc(Br)c3F)CC2)c1 ZINC001437241865 1065524388 /nfs/dbraw/zinc/52/43/88/1065524388.db2.gz HVMGXUBFRWRMDA-UHFFFAOYSA-N 1 0 450.739 4.508 20 30 JJEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC001360541760 1065529874 /nfs/dbraw/zinc/52/98/74/1065529874.db2.gz NPOFDBCYLWNHNU-OAHLLOKOSA-N 1 0 485.455 4.760 20 30 JJEDRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360593296 1065602544 /nfs/dbraw/zinc/60/25/44/1065602544.db2.gz FNUCKAZWXDXBDT-SFHVURJKSA-N 1 0 471.447 4.570 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360593300 1065603349 /nfs/dbraw/zinc/60/33/49/1065603349.db2.gz GJTSABXVHVZEEN-LJQANCHMSA-N 1 0 490.574 4.629 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360595542 1065606610 /nfs/dbraw/zinc/60/66/10/1065606610.db2.gz YXKDEGSBJPFORP-KRWDZBQOSA-N 1 0 489.437 4.709 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360601693 1065624601 /nfs/dbraw/zinc/62/46/01/1065624601.db2.gz FHIICAGQTIUWMN-NHCUHLMSSA-N 1 0 462.598 4.641 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360602454 1065626945 /nfs/dbraw/zinc/62/69/45/1065626945.db2.gz OQIHIJQXGMTXDN-IBGZPJMESA-N 1 0 488.558 4.550 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC001360645725 1065721167 /nfs/dbraw/zinc/72/11/67/1065721167.db2.gz KPTCMBSVMNEQEI-BXKMTCNYSA-N 1 0 467.980 4.565 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001360645750 1065721224 /nfs/dbraw/zinc/72/12/24/1065721224.db2.gz KUTDXUDFYLJUDT-QGZVFWFLSA-N 1 0 496.457 4.905 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360743269 1065778940 /nfs/dbraw/zinc/77/89/40/1065778940.db2.gz DBFKZBDQAAAFPK-LEWJYISDSA-N 1 0 468.621 4.952 20 30 JJEDRO O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F ZINC001439272937 1065808610 /nfs/dbraw/zinc/80/86/10/1065808610.db2.gz MPSVLTHLCJCPQV-CZUORRHYSA-N 1 0 452.345 4.776 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360758662 1065825764 /nfs/dbraw/zinc/82/57/64/1065825764.db2.gz UNRVYOGLULKAJW-YDIMBITNSA-N 1 0 457.022 4.686 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360775505 1065878155 /nfs/dbraw/zinc/87/81/55/1065878155.db2.gz VPGDQBCIJFYDPB-NDIWIEOSSA-N 1 0 468.621 4.808 20 30 JJEDRO CC(C)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCCC1 ZINC001360784396 1065897825 /nfs/dbraw/zinc/89/78/25/1065897825.db2.gz DWGKPMBGQSSXKN-RUZDIDTESA-N 1 0 455.050 4.917 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](c2cccs2)[NH+](C)C)c1C ZINC001360866884 1065990380 /nfs/dbraw/zinc/99/03/80/1065990380.db2.gz ZEZYIMBNGQLNSM-UIFIKXQLSA-N 1 0 466.655 4.995 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360872782 1066006858 /nfs/dbraw/zinc/00/68/58/1066006858.db2.gz AMJRQODVOOXHFS-IATMXGELSA-N 1 0 468.621 4.599 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC001360873589 1066009842 /nfs/dbraw/zinc/00/98/42/1066009842.db2.gz GPXLRNKSAKTXSE-MBEZDYHHSA-N 1 0 494.684 4.666 20 30 JJEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC001441475030 1066044366 /nfs/dbraw/zinc/04/43/66/1066044366.db2.gz ZFBOOWGGSZIVHQ-HXUWFJFHSA-N 1 0 452.451 4.778 20 30 JJEDRO C=CC1(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001441479399 1066045490 /nfs/dbraw/zinc/04/54/90/1066045490.db2.gz KGUCDZFOBYZQEQ-OYRHEFFESA-N 1 0 455.643 4.594 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361032306 1066245441 /nfs/dbraw/zinc/24/54/41/1066245441.db2.gz QCEMSDZKDJRRJW-HOFKKMOUSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361033187 1066248902 /nfs/dbraw/zinc/24/89/02/1066248902.db2.gz ZFPXREHLAQPXMC-SANMLTNESA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361033186 1066249022 /nfs/dbraw/zinc/24/90/22/1066249022.db2.gz ZFPXREHLAQPXMC-AREMUKBSSA-N 1 0 464.658 4.869 20 30 JJEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001454538734 1066297365 /nfs/dbraw/zinc/29/73/65/1066297365.db2.gz KULIJFWDXSUWDY-MOPGFXCFSA-N 1 0 457.537 4.674 20 30 JJEDRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545959397 1066321653 /nfs/dbraw/zinc/32/16/53/1066321653.db2.gz VGRQMEAKXDLJPZ-IBGZPJMESA-N 1 0 489.437 4.851 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001361087239 1066325620 /nfs/dbraw/zinc/32/56/20/1066325620.db2.gz DDSBVGBJPAXWSQ-AUSIDOKSSA-N 1 0 487.092 4.968 20 30 JJEDRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001545960852 1066345004 /nfs/dbraw/zinc/34/50/04/1066345004.db2.gz LAIGWLJKKSKDAK-OAQYLSRUSA-N 1 0 471.447 4.712 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361128150 1066390842 /nfs/dbraw/zinc/39/08/42/1066390842.db2.gz TYNOKFPXOFERFW-SXOMAYOGSA-N 1 0 496.725 4.856 20 30 JJEDRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001545965114 1066417922 /nfs/dbraw/zinc/41/79/22/1066417922.db2.gz QBSGTGCOCDJEPY-IBGZPJMESA-N 1 0 489.437 4.851 20 30 JJEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444181008 1066426959 /nfs/dbraw/zinc/42/69/59/1066426959.db2.gz YBPSBFOJVPMWCJ-SFTDATJTSA-N 1 0 457.062 4.931 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361155958 1066456889 /nfs/dbraw/zinc/45/68/89/1066456889.db2.gz JPYHJQGFTKFDEX-VBANMALSSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001361156064 1066457515 /nfs/dbraw/zinc/45/75/15/1066457515.db2.gz MBYNSLZZYCVARH-MHZLTWQESA-N 1 0 464.658 4.726 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361156072 1066457614 /nfs/dbraw/zinc/45/76/14/1066457614.db2.gz MKMOHZJJQWQEFX-HHHXNRCGSA-N 1 0 464.658 4.726 20 30 JJEDRO N#CCn1c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001361220138 1066556688 /nfs/dbraw/zinc/55/66/88/1066556688.db2.gz GFCJOSVOYKIUTJ-FQEVSTJZSA-N 1 0 454.496 4.691 20 30 JJEDRO Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492665291 1066786278 /nfs/dbraw/zinc/78/62/78/1066786278.db2.gz CUHQVWDKHXYMFT-OYRHEFFESA-N 1 0 491.709 4.900 20 30 JJEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)CC1 ZINC001447322581 1066792359 /nfs/dbraw/zinc/79/23/59/1066792359.db2.gz UGJGTSRJSCKVJS-UHFFFAOYSA-N 1 0 454.574 4.920 20 30 JJEDRO CC(C)C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC001457636768 1066888599 /nfs/dbraw/zinc/88/85/99/1066888599.db2.gz FRTBGVFQXPVYDW-HKUYNNGSSA-N 1 0 458.400 4.581 20 30 JJEDRO CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC001545772830 1067062406 /nfs/dbraw/zinc/06/24/06/1067062406.db2.gz NLLVRPTTXNLURU-UHFFFAOYSA-N 1 0 452.647 4.579 20 30 JJEDRO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)SC ZINC001545783807 1067079147 /nfs/dbraw/zinc/07/91/47/1067079147.db2.gz CQDPNAXXWLKTBD-DEOSSOPVSA-N 1 0 496.725 4.678 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545807526 1067126044 /nfs/dbraw/zinc/12/60/44/1067126044.db2.gz JPUONRLEUICDTF-XMMPIXPASA-N 1 0 459.642 4.990 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC001545807589 1067127055 /nfs/dbraw/zinc/12/70/55/1067127055.db2.gz KXRYVTKHQKQUTG-HTAPYJJXSA-N 1 0 493.483 4.985 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545807956 1067130256 /nfs/dbraw/zinc/13/02/56/1067130256.db2.gz QAKWFNCHRBHIOI-QGDZQMKYSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)C#N)[NH+](C)C ZINC001545808414 1067130375 /nfs/dbraw/zinc/13/03/75/1067130375.db2.gz YBSCROVNUXRUPI-YWZLYKJASA-N 1 0 479.442 4.809 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545807896 1067130393 /nfs/dbraw/zinc/13/03/93/1067130393.db2.gz PFAZAKSTDZDPQA-QGDZQMKYSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545808034 1067131003 /nfs/dbraw/zinc/13/10/03/1067131003.db2.gz RAYFPOXRRDFFTH-RPBOFIJWSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545808033 1067131090 /nfs/dbraw/zinc/13/10/90/1067131090.db2.gz RAYFPOXRRDFFTH-LOSJGSFVSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545808068 1067131757 /nfs/dbraw/zinc/13/17/57/1067131757.db2.gz RUJWQGCAIZZHBT-VWLOTQADSA-N 1 0 462.642 4.500 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545808314 1067133656 /nfs/dbraw/zinc/13/36/56/1067133656.db2.gz WPYFRCSTSJMHNP-GOTSBHOMSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC001545809676 1067136377 /nfs/dbraw/zinc/13/63/77/1067136377.db2.gz IGJJVAPOMVYSFR-AREMUKBSSA-N 1 0 489.668 4.569 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820221 1067157826 /nfs/dbraw/zinc/15/78/26/1067157826.db2.gz TUVMWSXWPFPMDX-YHYVQYDKSA-N 1 0 492.590 4.730 20 30 JJEDRO CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546104734 1067197245 /nfs/dbraw/zinc/19/72/45/1067197245.db2.gz HRFMLAAVBWKVLQ-SFTDATJTSA-N 1 0 464.658 4.721 20 30 JJEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459501861 1067339625 /nfs/dbraw/zinc/33/96/25/1067339625.db2.gz JPKSKOICHSOQJF-UHFFFAOYSA-N 1 0 457.509 4.728 20 30 JJEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771910 1067415508 /nfs/dbraw/zinc/41/55/08/1067415508.db2.gz OGBNXXDGVXJLHD-HSALFYBXSA-N 1 0 450.652 4.668 20 30 JJEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC001459801621 1067430257 /nfs/dbraw/zinc/43/02/57/1067430257.db2.gz KDABIRGNRNHJGX-UHFFFAOYSA-N 1 0 455.484 4.723 20 30 JJEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1F ZINC001459842114 1067449080 /nfs/dbraw/zinc/44/90/80/1067449080.db2.gz ZPWZDSHCSGCFRJ-MRXNPFEDSA-N 1 0 452.505 4.601 20 30 JJEDRO CCCCc1ccc([C@@H]([NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847491 1067453172 /nfs/dbraw/zinc/45/31/72/1067453172.db2.gz ZVUFDWBATQEYGJ-OZXSUGGESA-N 1 0 452.668 4.786 20 30 JJEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850739 1067455692 /nfs/dbraw/zinc/45/56/92/1067455692.db2.gz NVXGMFFRBBUKJT-QPPBQGQZSA-N 1 0 457.043 4.631 20 30 JJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001459867683 1067464697 /nfs/dbraw/zinc/46/46/97/1067464697.db2.gz KTADHUKHKWAMJJ-DLBZAZTESA-N 1 0 450.608 4.693 20 30 JJEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146655 1067564424 /nfs/dbraw/zinc/56/44/24/1067564424.db2.gz UWYASFLYDQYCLE-XMMPIXPASA-N 1 0 453.030 4.815 20 30 JJEDRO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1C#N ZINC001460246645 1067590805 /nfs/dbraw/zinc/59/08/05/1067590805.db2.gz VRAHRSBLCJAOAP-LOSJGSFVSA-N 1 0 454.574 4.985 20 30 JJEDRO C#CCNC(=O)CC[N@@H+](C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001460743108 1067713678 /nfs/dbraw/zinc/71/36/78/1067713678.db2.gz HKSIYGNRRNUHDO-UHFFFAOYSA-N 1 0 453.739 4.605 20 30 JJEDRO C=CCC1(O)CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001460803414 1067727549 /nfs/dbraw/zinc/72/75/49/1067727549.db2.gz XRRMNKVVQKEADM-JOCHJYFZSA-N 1 0 450.406 4.863 20 30 JJEDRO CN(C)c1ncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874877 1067739935 /nfs/dbraw/zinc/73/99/35/1067739935.db2.gz IOFLVTIOPLNHHA-HUUCEWRRSA-N 1 0 453.377 4.904 20 30 JJEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001460887763 1067743506 /nfs/dbraw/zinc/74/35/06/1067743506.db2.gz GHWGGCQYFJPFPE-JOCHJYFZSA-N 1 0 453.627 4.746 20 30 JJEDRO N#Cc1ccc(CN2CCC([NH2+]CCSc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001461174147 1067792723 /nfs/dbraw/zinc/79/27/23/1067792723.db2.gz OLEFRKMCZXDVFS-UHFFFAOYSA-N 1 0 454.949 4.972 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Br)c(Cl)c3F)CC2)c1 ZINC001461242589 1067808049 /nfs/dbraw/zinc/80/80/49/1067808049.db2.gz DSIKOJCPHZSPTN-UHFFFAOYSA-N 1 0 450.739 4.508 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)CC2)c1 ZINC001461246774 1067808945 /nfs/dbraw/zinc/80/89/45/1067808945.db2.gz VGZLYXIZNWCCDK-UHFFFAOYSA-N 1 0 456.512 4.572 20 30 JJEDRO N#Cc1ccc(CN2CCC([NH2+]CCCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001461416081 1067850765 /nfs/dbraw/zinc/85/07/65/1067850765.db2.gz WKHTUNJLHAVKBH-UHFFFAOYSA-N 1 0 452.908 4.649 20 30 JJEDRO COc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc(I)c1OC ZINC001461537401 1067883845 /nfs/dbraw/zinc/88/38/45/1067883845.db2.gz JOUOJYAFRMFTIG-GOSISDBHSA-N 1 0 450.320 4.833 20 30 JJEDRO N#CCCn1cc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)c(-c2ccncc2)n1 ZINC001461644674 1067908642 /nfs/dbraw/zinc/90/86/42/1067908642.db2.gz IBAVDMMJHYATTL-UHFFFAOYSA-N 1 0 450.384 4.734 20 30 JJEDRO CCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462082633 1067998302 /nfs/dbraw/zinc/99/83/02/1067998302.db2.gz IAQYRTKECQIADD-UHFFFAOYSA-N 1 0 451.615 4.866 20 30 JJEDRO COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1Br ZINC001462252544 1068038370 /nfs/dbraw/zinc/03/83/70/1068038370.db2.gz HUHMQZKQSOTFHN-RNQSCQIESA-N 1 0 457.412 4.602 20 30 JJEDRO Oc1cccc(Br)c1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623594 1068115476 /nfs/dbraw/zinc/11/54/76/1068115476.db2.gz AGBAMOORVFSROP-RKDXNWHRSA-N 1 0 454.155 4.758 20 30 JJEDRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[NH+](CC)CC)cc1 ZINC001463790551 1068525211 /nfs/dbraw/zinc/52/52/11/1068525211.db2.gz DSPOVMPAYLUYKZ-NRFANRHFSA-N 1 0 453.530 4.501 20 30 JJEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001463793875 1068526431 /nfs/dbraw/zinc/52/64/31/1068526431.db2.gz HMKKDIVWIJZMBW-UHFFFAOYSA-N 1 0 453.030 4.976 20 30 JJEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)CC1 ZINC001464027987 1068592745 /nfs/dbraw/zinc/59/27/45/1068592745.db2.gz JFBDMQXDASLJGL-UHFFFAOYSA-N 1 0 453.590 4.727 20 30 JJEDRO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464398163 1068731506 /nfs/dbraw/zinc/73/15/06/1068731506.db2.gz IRQAUEURKHMFTI-RLWLMLJZSA-N 1 0 453.590 4.863 20 30 JJEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001464424119 1068740363 /nfs/dbraw/zinc/74/03/63/1068740363.db2.gz QKXNSMOEUSHXBO-UHFFFAOYSA-N 1 0 455.518 4.528 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618738 719049635 /nfs/dbraw/zinc/04/96/35/719049635.db2.gz BGJKWNGGIYFCGR-URXFXBBRSA-N 1 0 465.935 4.797 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164714052 720158798 /nfs/dbraw/zinc/15/87/98/720158798.db2.gz NUXBXOCTTBSROZ-OAQYLSRUSA-N 1 0 476.024 4.971 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164715070 720158947 /nfs/dbraw/zinc/15/89/47/720158947.db2.gz SKMBKJRHPAYRJE-NRFANRHFSA-N 1 0 476.024 4.971 20 30 JJEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001164823787 720321676 /nfs/dbraw/zinc/32/16/76/720321676.db2.gz BFPMPKMVFBDRRD-DNQXCXABSA-N 1 0 485.657 4.746 20 30 JJEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839875 720653573 /nfs/dbraw/zinc/65/35/73/720653573.db2.gz KMARIWWRVMWQEM-KGVIQGDOSA-N 1 0 466.992 4.782 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842752 720700044 /nfs/dbraw/zinc/70/00/44/720700044.db2.gz NCVDSPBBROGDKV-UPVQGACJSA-N 1 0 471.580 4.531 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164841573 720714633 /nfs/dbraw/zinc/71/46/33/720714633.db2.gz UNOMYURREBYZCP-HHHXNRCGSA-N 1 0 482.628 4.987 20 30 JJEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760611 721045817 /nfs/dbraw/zinc/04/58/17/721045817.db2.gz XYRRDZHNIOAENX-QHCPKHFHSA-N 1 0 483.616 4.601 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870585 721195992 /nfs/dbraw/zinc/19/59/92/721195992.db2.gz VUOCAAQZZCMMJO-GOTSBHOMSA-N 1 0 495.961 4.693 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762706 721246706 /nfs/dbraw/zinc/24/67/06/721246706.db2.gz LHGAONUOXBDCNJ-NHCUHLMSSA-N 1 0 482.966 4.510 20 30 JJEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886624 721415142 /nfs/dbraw/zinc/41/51/42/721415142.db2.gz KIANHEYOZYEOFH-LXFBAYGMSA-N 1 0 487.673 4.600 20 30 JJEDRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908089 721717649 /nfs/dbraw/zinc/71/76/49/721717649.db2.gz VNZSDTTYLQZGIT-XMMPIXPASA-N 1 0 454.641 4.752 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001165027452 721830594 /nfs/dbraw/zinc/83/05/94/721830594.db2.gz SDXYXOFEPXVHBS-UEVCKROQSA-N 1 0 474.996 4.926 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]21 ZINC001165023198 721830699 /nfs/dbraw/zinc/83/06/99/721830699.db2.gz IGTRGCNVQDNBMX-WWPVKYPJSA-N 1 0 474.996 4.926 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([C@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001165019258 721838667 /nfs/dbraw/zinc/83/86/67/721838667.db2.gz BQRONASJXAXDEC-HSZRJFAPSA-N 1 0 471.605 4.559 20 30 JJEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001165021187 721841322 /nfs/dbraw/zinc/84/13/22/721841322.db2.gz GVBFWNJQXKEOTI-UHFFFAOYSA-N 1 0 495.986 4.926 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc([C@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938818 721920895 /nfs/dbraw/zinc/92/08/95/721920895.db2.gz RVLIJSPOKUCMJO-AREMUKBSSA-N 1 0 467.617 4.620 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001164946594 721933151 /nfs/dbraw/zinc/93/31/51/721933151.db2.gz ZRZTUKKQKICZLR-UHFFFAOYSA-N 1 0 490.007 4.974 20 30 JJEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)CCC2 ZINC001165004637 722257851 /nfs/dbraw/zinc/25/78/51/722257851.db2.gz UMHGPDNCFWGQPQ-UHFFFAOYSA-N 1 0 492.627 4.972 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359747833 1064331211 /nfs/dbraw/zinc/33/12/11/1064331211.db2.gz JTKWWYDEFHAFTG-JOCHJYFZSA-N 1 0 452.672 4.517 20 30 JJEDRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359764419 1064383249 /nfs/dbraw/zinc/38/32/49/1064383249.db2.gz APCFMUSHODZJBX-TZIWHRDSSA-N 1 0 456.610 4.664 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1)[NH+](C)C ZINC001359766053 1064390062 /nfs/dbraw/zinc/39/00/62/1064390062.db2.gz HLFUQPVLSMGZLV-HSZRJFAPSA-N 1 0 464.658 4.721 20 30 JJEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2F)CC1 ZINC001435039993 1064457106 /nfs/dbraw/zinc/45/71/06/1064457106.db2.gz MEBSSGPZXHGWLJ-UHFFFAOYSA-N 1 0 459.525 4.667 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001359854203 1064541392 /nfs/dbraw/zinc/54/13/92/1064541392.db2.gz VDVDZAYBMMCUSE-UHFFFAOYSA-N 1 0 456.974 4.763 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001359926526 1064659473 /nfs/dbraw/zinc/65/94/73/1064659473.db2.gz REZBPKNHAORKMN-XMMPIXPASA-N 1 0 487.073 4.646 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001359947721 1064697166 /nfs/dbraw/zinc/69/71/66/1064697166.db2.gz NSJUDALWCGHCIZ-VWLOTQADSA-N 1 0 478.685 4.729 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001359948197 1064699413 /nfs/dbraw/zinc/69/94/13/1064699413.db2.gz JXYJUJQHZMSKSV-UHFFFAOYSA-N 1 0 478.685 4.828 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001359951224 1064708787 /nfs/dbraw/zinc/70/87/87/1064708787.db2.gz UJVGZQSADAOQTO-YMPZKCBVSA-N 1 0 458.695 4.551 20 30 JJEDRO CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001359952036 1064712761 /nfs/dbraw/zinc/71/27/61/1064712761.db2.gz LTJFAKOQNYFJDN-HHHXNRCGSA-N 1 0 496.725 4.937 20 30 JJEDRO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359992780 1064775047 /nfs/dbraw/zinc/77/50/47/1064775047.db2.gz CIIBDEMKXJRKCJ-YADHBBJMSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360007713 1064795839 /nfs/dbraw/zinc/79/58/39/1064795839.db2.gz GIUIQAYMJGDPOX-RBUKOAKNSA-N 1 0 460.573 4.653 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360008100 1064795950 /nfs/dbraw/zinc/79/59/50/1064795950.db2.gz KTKPXJUKGWTHRN-QZTJIDSGSA-N 1 0 491.453 4.953 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360010647 1064803524 /nfs/dbraw/zinc/80/35/24/1064803524.db2.gz TWKIZJIRQOYVGV-ZCYQVOJMSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675490 1064927964 /nfs/dbraw/zinc/92/79/64/1064927964.db2.gz WHSMJFOSJWQDNK-BKMJKUGQSA-N 1 0 457.615 4.666 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C ZINC001360123404 1065014142 /nfs/dbraw/zinc/01/41/42/1065014142.db2.gz HFNCFJSZNXGWMR-UHFFFAOYSA-N 1 0 452.647 4.719 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC001360125663 1065018187 /nfs/dbraw/zinc/01/81/87/1065018187.db2.gz RSVQOQNYCOBLHA-UHFFFAOYSA-N 1 0 471.653 4.958 20 30 JJEDRO CC(C)[NH+](CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C ZINC001360126167 1065019774 /nfs/dbraw/zinc/01/97/74/1065019774.db2.gz JHCRIEMTSIPNMM-UHFFFAOYSA-N 1 0 490.574 4.936 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001360138840 1065034885 /nfs/dbraw/zinc/03/48/85/1065034885.db2.gz KSSNMEKBSSAYER-HXUWFJFHSA-N 1 0 485.474 4.958 20 30 JJEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CC2CC2)C1 ZINC001360140478 1065037691 /nfs/dbraw/zinc/03/76/91/1065037691.db2.gz FFDFRAALWKSBOY-GOTSBHOMSA-N 1 0 499.704 4.601 20 30 JJEDRO CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360363904 1065220383 /nfs/dbraw/zinc/22/03/83/1065220383.db2.gz FSJNPFITXFDWGY-UHFFFAOYSA-N 1 0 464.658 4.867 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360470904 1065389644 /nfs/dbraw/zinc/38/96/44/1065389644.db2.gz XDYBMKIYBVBTBE-YJBOKZPZSA-N 1 0 460.554 4.649 20 30 JJEDRO C[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCCCC1 ZINC001360510499 1065454350 /nfs/dbraw/zinc/45/43/50/1065454350.db2.gz LZEVSYCGXOQWNY-OAQYLSRUSA-N 1 0 450.631 4.620 20 30 JJEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCCC1 ZINC001360519423 1065486149 /nfs/dbraw/zinc/48/61/49/1065486149.db2.gz MPYFKDRNUFAVKJ-DENIHFKCSA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001360540942 1065526989 /nfs/dbraw/zinc/52/69/89/1065526989.db2.gz JWHYKLLBECYJGC-NYHFZMIOSA-N 1 0 491.865 4.974 20 30 JJEDRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001360596416 1065609142 /nfs/dbraw/zinc/60/91/42/1065609142.db2.gz AKAODIYSQPSRIR-IPVFLDMMSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001360596417 1065609224 /nfs/dbraw/zinc/60/92/24/1065609224.db2.gz AKAODIYSQPSRIR-SWYRRKHMSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360601692 1065624646 /nfs/dbraw/zinc/62/46/46/1065624646.db2.gz FHIICAGQTIUWMN-LEWJYISDSA-N 1 0 462.598 4.641 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602088 1065626239 /nfs/dbraw/zinc/62/62/39/1065626239.db2.gz MDZRNEMGYGDWQL-VXKWHMMOSA-N 1 0 464.658 4.723 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360740050 1065772906 /nfs/dbraw/zinc/77/29/06/1065772906.db2.gz AZJAFJHBTNUAGM-HXUWFJFHSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360740049 1065773036 /nfs/dbraw/zinc/77/30/36/1065773036.db2.gz AZJAFJHBTNUAGM-FQEVSTJZSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360755543 1065808885 /nfs/dbraw/zinc/80/88/85/1065808885.db2.gz FOCXAIWAYOJQCY-GOSISDBHSA-N 1 0 457.022 4.686 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360869579 1065998461 /nfs/dbraw/zinc/99/84/61/1065998461.db2.gz ITBBJFCRFJHMNN-REWPJTCUSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360869578 1065998653 /nfs/dbraw/zinc/99/86/53/1065998653.db2.gz ITBBJFCRFJHMNN-OFNKIYASSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360873348 1066008924 /nfs/dbraw/zinc/00/89/24/1066008924.db2.gz HBNONVKCSZSIMI-GJZUVCINSA-N 1 0 470.637 4.986 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360874692 1066014850 /nfs/dbraw/zinc/01/48/50/1066014850.db2.gz TUWJIOKUTLUYKC-IFMALSPDSA-N 1 0 450.631 4.649 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360874694 1066014995 /nfs/dbraw/zinc/01/49/95/1066014995.db2.gz TUWJIOKUTLUYKC-IRLDBZIGSA-N 1 0 450.631 4.649 20 30 JJEDRO CC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001443290861 1066290578 /nfs/dbraw/zinc/29/05/78/1066290578.db2.gz FKSQWIYRMAMZSI-OAQYLSRUSA-N 1 0 457.062 4.933 20 30 JJEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 ZINC001454537202 1066297299 /nfs/dbraw/zinc/29/72/99/1066297299.db2.gz GJXUJYLADRDOFU-OAQYLSRUSA-N 1 0 454.452 4.797 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001361087241 1066325654 /nfs/dbraw/zinc/32/56/54/1066325654.db2.gz DDSBVGBJPAXWSQ-WMZHIEFXSA-N 1 0 487.092 4.968 20 30 JJEDRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001545960928 1066347139 /nfs/dbraw/zinc/34/71/39/1066347139.db2.gz LZNWKIFXRAPBCS-HXUWFJFHSA-N 1 0 471.447 4.712 20 30 JJEDRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001545966602 1066443844 /nfs/dbraw/zinc/44/38/44/1066443844.db2.gz HHGGRVDFJZYQRB-JOCHJYFZSA-N 1 0 480.657 4.745 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361155325 1066453838 /nfs/dbraw/zinc/45/38/38/1066453838.db2.gz SBNTZIIAEGZNAX-LOYIFYEOSA-N 1 0 482.648 4.674 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001361156063 1066457572 /nfs/dbraw/zinc/45/75/72/1066457572.db2.gz MBYNSLZZYCVARH-HHHXNRCGSA-N 1 0 464.658 4.726 20 30 JJEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001445344741 1066560714 /nfs/dbraw/zinc/56/07/14/1066560714.db2.gz FVZFHKLMIKFTII-OKILXGFUSA-N 1 0 458.418 4.595 20 30 JJEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001446323663 1066690301 /nfs/dbraw/zinc/69/03/01/1066690301.db2.gz OPGFGPYEBXWXMP-RUZDIDTESA-N 1 0 456.590 4.798 20 30 JJEDRO Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001492642872 1066736899 /nfs/dbraw/zinc/73/68/99/1066736899.db2.gz ULHRIIVNATWWFK-OAQYLSRUSA-N 1 0 463.655 4.554 20 30 JJEDRO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492695496 1066842164 /nfs/dbraw/zinc/84/21/64/1066842164.db2.gz DHFXOQLVUCHGPI-GOSISDBHSA-N 1 0 463.655 4.729 20 30 JJEDRO CC(C)C[C@H](CNC(=O)COc1cccc(Br)c1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC001457636793 1066888542 /nfs/dbraw/zinc/88/85/42/1066888542.db2.gz FRTBGVFQXPVYDW-PKOBYXMFSA-N 1 0 458.400 4.581 20 30 JJEDRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001546012394 1066992571 /nfs/dbraw/zinc/99/25/71/1066992571.db2.gz HTSPWVVYFMRKIX-FUHWJXTLSA-N 1 0 465.429 4.777 20 30 JJEDRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(-c2ccc(Br)cc2)n1 ZINC001458239536 1067010083 /nfs/dbraw/zinc/01/00/83/1067010083.db2.gz PBLQIVBEDPOMGH-UHFFFAOYSA-N 1 0 450.384 4.654 20 30 JJEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC001545753153 1067029216 /nfs/dbraw/zinc/02/92/16/1067029216.db2.gz KUCOPZYJZQFYBM-PKTZIBPZSA-N 1 0 453.970 4.502 20 30 JJEDRO N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450139043 1067052902 /nfs/dbraw/zinc/05/29/02/1067052902.db2.gz HXJUKRJJMHQNNO-NSOVKSMOSA-N 1 0 452.602 4.847 20 30 JJEDRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)SC ZINC001545783808 1067079277 /nfs/dbraw/zinc/07/92/77/1067079277.db2.gz CQDPNAXXWLKTBD-XMMPIXPASA-N 1 0 496.725 4.678 20 30 JJEDRO CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001545798455 1067100732 /nfs/dbraw/zinc/10/07/32/1067100732.db2.gz LILTXBHFNXAXBZ-DEOSSOPVSA-N 1 0 466.674 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545807241 1067125069 /nfs/dbraw/zinc/12/50/69/1067125069.db2.gz DQCIDPXEJJSAMJ-PKTZIBPZSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001545807435 1067126127 /nfs/dbraw/zinc/12/61/27/1067126127.db2.gz HWJQHCNSJGTWGH-RUZDIDTESA-N 1 0 464.658 4.580 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC001545807591 1067126959 /nfs/dbraw/zinc/12/69/59/1067126959.db2.gz KXRYVTKHQKQUTG-VGOFRKELSA-N 1 0 493.483 4.985 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807801 1067128894 /nfs/dbraw/zinc/12/88/94/1067128894.db2.gz OHEKSBPEMWWDDR-HOFKKMOUSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001545807804 1067128917 /nfs/dbraw/zinc/12/89/17/1067128917.db2.gz OHEKSBPEMWWDDR-YIXXDRMTSA-N 1 0 466.674 4.825 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545807955 1067130295 /nfs/dbraw/zinc/13/02/95/1067130295.db2.gz QAKWFNCHRBHIOI-NYMACZPPSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001545808192 1067132337 /nfs/dbraw/zinc/13/23/37/1067132337.db2.gz ULTVOXANSGWJHA-UZLBHIALSA-N 1 0 461.452 4.670 20 30 JJEDRO C[NH+](C)CCCn1c(=O)c2c3c(sc2nc1SCC#Cc1ccc(F)cc1)CCCC3 ZINC001458812471 1067152561 /nfs/dbraw/zinc/15/25/61/1067152561.db2.gz MRUFOMLUDOYNDZ-UHFFFAOYSA-N 1 0 455.624 4.571 20 30 JJEDRO COc1ccc(C#N)cc1CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC001458815621 1067153588 /nfs/dbraw/zinc/15/35/88/1067153588.db2.gz RCFAAAVHOWUMMZ-UHFFFAOYSA-N 1 0 450.608 4.688 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545819577 1067154895 /nfs/dbraw/zinc/15/48/95/1067154895.db2.gz IGMUNHLBEYDUTA-OZXSUGGESA-N 1 0 452.647 4.662 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545819689 1067155521 /nfs/dbraw/zinc/15/55/21/1067155521.db2.gz KJSFFPQXKMPSFH-RUZDIDTESA-N 1 0 461.658 4.847 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545820208 1067157941 /nfs/dbraw/zinc/15/79/41/1067157941.db2.gz SUXBKSORHOFVJP-XMMPIXPASA-N 1 0 461.658 4.778 20 30 JJEDRO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001452690163 1067244442 /nfs/dbraw/zinc/24/44/42/1067244442.db2.gz BTCGBLGNUCKNKA-UHFFFAOYSA-N 1 0 452.558 4.513 20 30 JJEDRO COc1ccccc1/C=C(\C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC001452695566 1067245603 /nfs/dbraw/zinc/24/56/03/1067245603.db2.gz YVHMTRGMXPCQQG-DIBXZPPDSA-N 1 0 451.570 4.888 20 30 JJEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524500 1067344587 /nfs/dbraw/zinc/34/45/87/1067344587.db2.gz GEAPNKWONLOZNV-KRWDZBQOSA-N 1 0 458.375 4.887 20 30 JJEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524503 1067344744 /nfs/dbraw/zinc/34/47/44/1067344744.db2.gz GEAPNKWONLOZNV-QGZVFWFLSA-N 1 0 458.375 4.887 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001459538565 1067347668 /nfs/dbraw/zinc/34/76/68/1067347668.db2.gz GJHOWQJFGCDVNJ-TUACAJSNSA-N 1 0 452.574 4.569 20 30 JJEDRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC001459713151 1067392391 /nfs/dbraw/zinc/39/23/91/1067392391.db2.gz AJOBOOVOVHFEQP-UHFFFAOYSA-N 1 0 451.567 4.635 20 30 JJEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747957 1067404982 /nfs/dbraw/zinc/40/49/82/1067404982.db2.gz LGPGWRHPAMLUIN-UXHICEINSA-N 1 0 454.574 4.628 20 30 JJEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748481 1067405037 /nfs/dbraw/zinc/40/50/37/1067405037.db2.gz LNBWSLIBCKIDQD-ZEQRLZLVSA-N 1 0 450.627 4.879 20 30 JJEDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747956 1067405051 /nfs/dbraw/zinc/40/50/51/1067405051.db2.gz LGPGWRHPAMLUIN-PMACEKPBSA-N 1 0 454.574 4.628 20 30 JJEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784986 1067421592 /nfs/dbraw/zinc/42/15/92/1067421592.db2.gz HIBQBWFKEGIAIU-QYBDOPJKSA-N 1 0 451.636 4.523 20 30 JJEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(N2CCCC2=O)cc1 ZINC001459867694 1067464766 /nfs/dbraw/zinc/46/47/66/1067464766.db2.gz KTADHUKHKWAMJJ-SJORKVTESA-N 1 0 450.608 4.693 20 30 JJEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001459988647 1067516831 /nfs/dbraw/zinc/51/68/31/1067516831.db2.gz JVLMSHXLROQSGB-NRFANRHFSA-N 1 0 452.352 4.677 20 30 JJEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001460097878 1067554412 /nfs/dbraw/zinc/55/44/12/1067554412.db2.gz HTHZALXLXJWZOX-OAQYLSRUSA-N 1 0 451.876 4.926 20 30 JJEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001460157518 1067566872 /nfs/dbraw/zinc/56/68/72/1067566872.db2.gz MJTLOPMWESZESR-QZTJIDSGSA-N 1 0 452.580 4.574 20 30 JJEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254370 1067592287 /nfs/dbraw/zinc/59/22/87/1067592287.db2.gz FGVYKVUQQDHBDX-XXBNENTESA-N 1 0 450.579 4.946 20 30 JJEDRO N#Cc1ccc(N2CCC[C@@H](N3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280470 1067596969 /nfs/dbraw/zinc/59/69/69/1067596969.db2.gz SLXLNEPBHGMPQE-XZOQPEGZSA-N 1 0 452.396 4.913 20 30 JJEDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341394 1067611913 /nfs/dbraw/zinc/61/19/13/1067611913.db2.gz GUIJFGFBGPEECJ-ZCNNSNEGSA-N 1 0 450.652 4.810 20 30 JJEDRO N#Cc1cccc(C2([NH2+]CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CCOCC2)c1 ZINC001460453603 1067637591 /nfs/dbraw/zinc/63/75/91/1067637591.db2.gz GWMKVJLTKHVTQM-SANMLTNESA-N 1 0 459.977 4.713 20 30 JJEDRO CC1(C)CC[C@@H](C[NH+](CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)O1 ZINC001460763902 1067719035 /nfs/dbraw/zinc/71/90/35/1067719035.db2.gz MSJADWJVOJBRGW-JTQLQIEISA-N 1 0 453.317 4.589 20 30 JJEDRO Cc1c(Cl)cccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC001460915034 1067747378 /nfs/dbraw/zinc/74/73/78/1067747378.db2.gz OIUIHXKIFOJGJV-INIZCTEOSA-N 1 0 457.043 4.857 20 30 JJEDRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001461245039 1067808463 /nfs/dbraw/zinc/80/84/63/1067808463.db2.gz LTMDOOHIKRHEDV-MRXNPFEDSA-N 1 0 458.425 4.582 20 30 JJEDRO N#CCCn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(-c2ccncc2)n1 ZINC001461345955 1067835487 /nfs/dbraw/zinc/83/54/87/1067835487.db2.gz SYVSUCFRNAVLMC-UHFFFAOYSA-N 1 0 454.509 4.540 20 30 JJEDRO N#Cc1cccc(COc2cccc(CNc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)c2)c1 ZINC001461566504 1067889662 /nfs/dbraw/zinc/88/96/62/1067889662.db2.gz TYAJZSCQCMGCPS-UHFFFAOYSA-N 1 0 454.574 4.575 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@H]21 ZINC001461668599 1067914663 /nfs/dbraw/zinc/91/46/63/1067914663.db2.gz MRHVLMXVHDMGPV-SGNDLWITSA-N 1 0 452.643 4.536 20 30 JJEDRO C[C@@](CO)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1cccc(Br)c1 ZINC001461822125 1067942055 /nfs/dbraw/zinc/94/20/55/1067942055.db2.gz YEIKRNSVEQBLIZ-DEOSSOPVSA-N 1 0 451.364 4.897 20 30 JJEDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC001462039438 1067986621 /nfs/dbraw/zinc/98/66/21/1067986621.db2.gz CCQBMNUJSVXLEV-SFHVURJKSA-N 1 0 455.183 4.589 20 30 JJEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181802 1068023762 /nfs/dbraw/zinc/02/37/62/1068023762.db2.gz BMZXDMALCKRMIW-OAHLLOKOSA-N 1 0 452.356 4.690 20 30 JJEDRO C=CC[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033755 1068594500 /nfs/dbraw/zinc/59/45/00/1068594500.db2.gz JZTZMIPJRUJBGD-DCEDVJGZSA-N 1 0 459.055 4.926 20 30 JJEDRO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722600 720384480 /nfs/dbraw/zinc/38/44/80/720384480.db2.gz DPDBYUKMRCPSIA-WDYNHAJCSA-N 1 0 492.602 4.671 20 30 JJEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730949 720417323 /nfs/dbraw/zinc/41/73/23/720417323.db2.gz KALHUEUNRWDDRC-RPWUZVMVSA-N 1 0 475.713 4.543 20 30 JJEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164734169 720548524 /nfs/dbraw/zinc/54/85/24/720548524.db2.gz XFLWCEUJJBFAFC-GOSISDBHSA-N 1 0 475.971 4.730 20 30 JJEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164843250 720652185 /nfs/dbraw/zinc/65/21/85/720652185.db2.gz VTVNZENOCHNTGF-FIKGOQFSSA-N 1 0 469.420 4.988 20 30 JJEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844256 720664156 /nfs/dbraw/zinc/66/41/56/720664156.db2.gz ZLKYQALIXQPMEA-IZZNHLLZSA-N 1 0 467.617 4.700 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842749 720698850 /nfs/dbraw/zinc/69/88/50/720698850.db2.gz NCVDSPBBROGDKV-LADGPHEKSA-N 1 0 471.580 4.531 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740174 720831408 /nfs/dbraw/zinc/83/14/08/720831408.db2.gz JKQOZFXEIABVFX-GZGNHOFSSA-N 1 0 495.656 4.806 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748996 720873223 /nfs/dbraw/zinc/87/32/23/720873223.db2.gz GBAWAIHTJJEQAG-PDDLMNHVSA-N 1 0 497.618 4.909 20 30 JJEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@@H]2C ZINC001164861802 721023565 /nfs/dbraw/zinc/02/35/65/721023565.db2.gz PJOFXZKAVJIAQC-MRXNPFEDSA-N 1 0 485.970 4.831 20 30 JJEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864066 721095467 /nfs/dbraw/zinc/09/54/67/721095467.db2.gz DXKFKABBXXFPOM-GOTSBHOMSA-N 1 0 467.598 4.710 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870852 721196151 /nfs/dbraw/zinc/19/61/51/721196151.db2.gz WQHNWEQMCMYNPS-XZOQPEGZSA-N 1 0 495.961 4.693 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759748 721247391 /nfs/dbraw/zinc/24/73/91/721247391.db2.gz BIZXIOOSIDNXGK-NHCUHLMSSA-N 1 0 482.966 4.510 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762731 721247787 /nfs/dbraw/zinc/24/77/87/721247787.db2.gz LHGAONUOXBDCNJ-SFTDATJTSA-N 1 0 482.966 4.510 20 30 JJEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164795488 721497442 /nfs/dbraw/zinc/49/74/42/721497442.db2.gz IXZYDUQKMZOGFY-HSZRJFAPSA-N 1 0 456.569 4.547 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904728 721585725 /nfs/dbraw/zinc/58/57/25/721585725.db2.gz FYHQURATIVPUIC-VWLOTQADSA-N 1 0 463.507 4.892 20 30 JJEDRO N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909140 721725673 /nfs/dbraw/zinc/72/56/73/721725673.db2.gz CGYDXAQDJMAMEM-MHZLTWQESA-N 1 0 489.570 4.859 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001165027447 721830414 /nfs/dbraw/zinc/83/04/14/721830414.db2.gz SDXYXOFEPXVHBS-AJSBUHFISA-N 1 0 474.996 4.926 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001165027462 721830539 /nfs/dbraw/zinc/83/05/39/721830539.db2.gz SDXYXOFEPXVHBS-WWPVKYPJSA-N 1 0 474.996 4.926 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001165027054 721830689 /nfs/dbraw/zinc/83/06/89/721830689.db2.gz RJQNFORNZLSLFQ-KSEOMHKRSA-N 1 0 474.996 4.926 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001165027456 721830692 /nfs/dbraw/zinc/83/06/92/721830692.db2.gz SDXYXOFEPXVHBS-WTIAFYNJSA-N 1 0 474.996 4.926 20 30 JJEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966328 722062776 /nfs/dbraw/zinc/06/27/76/722062776.db2.gz QZIKUJLIGXEHAC-UHFFFAOYSA-N 1 0 482.415 4.927 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359712050 1064260374 /nfs/dbraw/zinc/26/03/74/1064260374.db2.gz CVNVQJQUDHIUOG-UHFFFAOYSA-N 1 0 497.569 4.642 20 30 JJEDRO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359733465 1064291244 /nfs/dbraw/zinc/29/12/44/1064291244.db2.gz YYBAMFYXQSHCAG-URXFXBBRSA-N 1 0 478.666 4.966 20 30 JJEDRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359738371 1064301646 /nfs/dbraw/zinc/30/16/46/1064301646.db2.gz SPJZJNKVMJHAIU-DQEYMECFSA-N 1 0 464.658 4.864 20 30 JJEDRO C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCCN1C(=O)OC(C)(C)C ZINC001434917484 1064345036 /nfs/dbraw/zinc/34/50/36/1064345036.db2.gz KURCRLXRSWQKFK-VWLOTQADSA-N 1 0 459.656 4.828 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001359765901 1064389414 /nfs/dbraw/zinc/38/94/14/1064389414.db2.gz DOJICBCMTSXFKE-IBVKSMDESA-N 1 0 480.588 4.535 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001359765900 1064389530 /nfs/dbraw/zinc/38/95/30/1064389530.db2.gz DOJICBCMTSXFKE-FQRUVTKNSA-N 1 0 480.588 4.535 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359766322 1064391981 /nfs/dbraw/zinc/39/19/81/1064391981.db2.gz LKSHXGNERBXDEC-HXUWFJFHSA-N 1 0 473.463 4.814 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC001359766894 1064395179 /nfs/dbraw/zinc/39/51/79/1064395179.db2.gz WZNWULIUCMQEBS-IERDGZPVSA-N 1 0 453.393 4.670 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC001359766893 1064395245 /nfs/dbraw/zinc/39/52/45/1064395245.db2.gz WZNWULIUCMQEBS-HRAATJIYSA-N 1 0 453.393 4.670 20 30 JJEDRO CC(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359912260 1064630631 /nfs/dbraw/zinc/63/06/31/1064630631.db2.gz RHMNPFVUSINBRD-UHFFFAOYSA-N 1 0 464.658 4.866 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359926643 1064660527 /nfs/dbraw/zinc/66/05/27/1064660527.db2.gz WKPUCFVCAKFDCM-LJQANCHMSA-N 1 0 485.474 4.958 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359926966 1064661918 /nfs/dbraw/zinc/66/19/18/1064661918.db2.gz JCIOYDBAAHFPJK-UHFFFAOYSA-N 1 0 456.038 4.634 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359927185 1064662987 /nfs/dbraw/zinc/66/29/87/1064662987.db2.gz PYUVPTKNJPXKBB-XMMPIXPASA-N 1 0 480.657 4.603 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001359947778 1064697903 /nfs/dbraw/zinc/69/79/03/1064697903.db2.gz DAMXKWOSTLWSSM-UHFFFAOYSA-N 1 0 482.648 4.884 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001359948899 1064700955 /nfs/dbraw/zinc/70/09/55/1064700955.db2.gz TXBSWNGAUUTUNV-OAQYLSRUSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001359951223 1064708707 /nfs/dbraw/zinc/70/87/07/1064708707.db2.gz UJVGZQSADAOQTO-MDNUFGMLSA-N 1 0 458.695 4.551 20 30 JJEDRO CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001359952037 1064712776 /nfs/dbraw/zinc/71/27/76/1064712776.db2.gz LTJFAKOQNYFJDN-MHZLTWQESA-N 1 0 496.725 4.937 20 30 JJEDRO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001359992777 1064774949 /nfs/dbraw/zinc/77/49/49/1064774949.db2.gz CIIBDEMKXJRKCJ-FCHUYYIVSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360008250 1064796578 /nfs/dbraw/zinc/79/65/78/1064796578.db2.gz NOMYMGLSZTYYNO-WZONZLPQSA-N 1 0 488.478 4.534 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360008248 1064796667 /nfs/dbraw/zinc/79/66/67/1064796667.db2.gz NOMYMGLSZTYYNO-JPYJTQIMSA-N 1 0 488.478 4.534 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360010644 1064803634 /nfs/dbraw/zinc/80/36/34/1064803634.db2.gz TWKIZJIRQOYVGV-ILBGXUMGSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001360011749 1064806216 /nfs/dbraw/zinc/80/62/16/1064806216.db2.gz HSQVVSZHPDTRBB-ILBGXUMGSA-N 1 0 496.725 4.675 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001360011752 1064806672 /nfs/dbraw/zinc/80/66/72/1064806672.db2.gz HSQVVSZHPDTRBB-ZCYQVOJMSA-N 1 0 496.725 4.675 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360012325 1064808325 /nfs/dbraw/zinc/80/83/25/1064808325.db2.gz POCIQACXSMGPJJ-ISKFKSNPSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036157 1064844742 /nfs/dbraw/zinc/84/47/42/1064844742.db2.gz UPPIXQDPNCJPEG-HSZRJFAPSA-N 1 0 478.666 4.650 20 30 JJEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2F)CC1 ZINC001360091520 1064958236 /nfs/dbraw/zinc/95/82/36/1064958236.db2.gz VYAYNQOHZPMFKQ-UHFFFAOYSA-N 1 0 458.537 4.562 20 30 JJEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749417 1064972962 /nfs/dbraw/zinc/97/29/62/1064972962.db2.gz MXCRRXCOTIJTLJ-BFUOFWGJSA-N 1 0 450.739 4.536 20 30 JJEDRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1)C(C)C ZINC001360127035 1065021132 /nfs/dbraw/zinc/02/11/32/1065021132.db2.gz ZWZFTNQQPSEUII-CLJLJLNGSA-N 1 0 478.685 4.969 20 30 JJEDRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC001360131715 1065026768 /nfs/dbraw/zinc/02/67/68/1065026768.db2.gz CWXIEQNOOPFERN-UHFFFAOYSA-N 1 0 464.658 4.974 20 30 JJEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360388293 1065252635 /nfs/dbraw/zinc/25/26/35/1065252635.db2.gz RMZZWYRZQFJXJQ-MHZLTWQESA-N 1 0 451.570 4.505 20 30 JJEDRO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC001436211300 1065254314 /nfs/dbraw/zinc/25/43/14/1065254314.db2.gz GKJHBULEEPMION-IBGZPJMESA-N 1 0 452.274 4.714 20 30 JJEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC001360433141 1065311157 /nfs/dbraw/zinc/31/11/57/1065311157.db2.gz WCGDNPNKSZPPMG-UHFFFAOYSA-N 1 0 453.546 4.693 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360466375 1065378142 /nfs/dbraw/zinc/37/81/42/1065378142.db2.gz CKHFLZCFNZOANL-LPHOPBHVSA-N 1 0 459.436 4.566 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001360469364 1065384644 /nfs/dbraw/zinc/38/46/44/1065384644.db2.gz BIMOGYYRMCPGGN-HOTGVXAUSA-N 1 0 489.443 4.938 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360470701 1065388920 /nfs/dbraw/zinc/38/89/20/1065388920.db2.gz UDVBKOJYNLLNBP-GBXCKJPGSA-N 1 0 476.625 4.976 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360470884 1065389840 /nfs/dbraw/zinc/38/98/40/1065389840.db2.gz WRKPYRYRCNHOOB-JMUQELJHSA-N 1 0 459.623 4.700 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001360481401 1065401435 /nfs/dbraw/zinc/40/14/35/1065401435.db2.gz PZAUMZUAYDVTBR-HXUWFJFHSA-N 1 0 452.647 4.767 20 30 JJEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505003 1065438309 /nfs/dbraw/zinc/43/83/09/1065438309.db2.gz GJPULDAQPVXPMY-QPPBQGQZSA-N 1 0 464.658 4.865 20 30 JJEDRO C[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCCCC1 ZINC001360510498 1065454372 /nfs/dbraw/zinc/45/43/72/1065454372.db2.gz LZEVSYCGXOQWNY-NRFANRHFSA-N 1 0 450.631 4.620 20 30 JJEDRO Cc1c(C#N)c(Br)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001436938456 1065477496 /nfs/dbraw/zinc/47/74/96/1065477496.db2.gz LVDUOMIYTDZTBN-RTBURBONSA-N 1 0 481.419 4.940 20 30 JJEDRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[N@H+](C)Cc1ccccc1 ZINC001360590209 1065595160 /nfs/dbraw/zinc/59/51/60/1065595160.db2.gz FPYYPGIHKSJQSY-NQHRYMMQSA-N 1 0 478.685 4.847 20 30 JJEDRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCCC1 ZINC001360596418 1065609048 /nfs/dbraw/zinc/60/90/48/1065609048.db2.gz AKAODIYSQPSRIR-YPCDYVTLSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001360596733 1065610502 /nfs/dbraw/zinc/61/05/02/1065610502.db2.gz GIHHVONTMJIILP-SFTDATJTSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602087 1065626333 /nfs/dbraw/zinc/62/63/33/1065626333.db2.gz MDZRNEMGYGDWQL-FGZHOGPDSA-N 1 0 464.658 4.723 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC001360645728 1065721139 /nfs/dbraw/zinc/72/11/39/1065721139.db2.gz KPTCMBSVMNEQEI-XDHUDOTRSA-N 1 0 467.980 4.565 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360741806 1065775520 /nfs/dbraw/zinc/77/55/20/1065775520.db2.gz SFRNKGXCMUQGSR-IBGZPJMESA-N 1 0 454.594 4.562 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360758289 1065824199 /nfs/dbraw/zinc/82/41/99/1065824199.db2.gz PXLZIDGOMUMCDQ-REIDKSKDSA-N 1 0 475.012 4.634 20 30 JJEDRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360758290 1065824436 /nfs/dbraw/zinc/82/44/36/1065824436.db2.gz PXLZIDGOMUMCDQ-WPSZSDGUSA-N 1 0 475.012 4.634 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001360775234 1065876591 /nfs/dbraw/zinc/87/65/91/1065876591.db2.gz RJSHCTRTDVPDPV-RLWLMLJZSA-N 1 0 468.621 4.953 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(-c3ccccc3Br)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360808918 1065922672 /nfs/dbraw/zinc/92/26/72/1065922672.db2.gz WTXIYDWRLJWGEG-UHFFFAOYSA-N 1 0 485.474 4.960 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC[NH+](C3CC3)CC2)c1C ZINC001360866492 1065988577 /nfs/dbraw/zinc/98/85/77/1065988577.db2.gz UIGRJPXOSMHUTP-PZJWPPBQSA-N 1 0 450.631 4.648 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360869577 1065998730 /nfs/dbraw/zinc/99/87/30/1065998730.db2.gz ITBBJFCRFJHMNN-NZQKXSOJSA-N 1 0 464.658 4.897 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360872785 1066006817 /nfs/dbraw/zinc/00/68/17/1066006817.db2.gz AMJRQODVOOXHFS-WSNOQYBDSA-N 1 0 468.621 4.599 20 30 JJEDRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(CC[NH+](C)C)Cc4ccc(C#N)cc4)ccc32)c1 ZINC001441658991 1066058463 /nfs/dbraw/zinc/05/84/63/1066058463.db2.gz NQCBAUVJQJGSRD-UHFFFAOYSA-N 1 0 451.574 4.718 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC001361018257 1066207853 /nfs/dbraw/zinc/20/78/53/1066207853.db2.gz KGKHWSCTFGLLIC-LADGPHEKSA-N 1 0 464.658 4.867 20 30 JJEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454122693 1066248757 /nfs/dbraw/zinc/24/87/57/1066248757.db2.gz UFUSPSDJNNFODO-XZOQPEGZSA-N 1 0 455.643 4.655 20 30 JJEDRO Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361049348 1066281331 /nfs/dbraw/zinc/28/13/31/1066281331.db2.gz ANDJEXOGFKUQHB-KDYSTLNUSA-N 1 0 459.642 4.908 20 30 JJEDRO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001454538740 1066298060 /nfs/dbraw/zinc/29/80/60/1066298060.db2.gz KULIJFWDXSUWDY-RTBURBONSA-N 1 0 457.537 4.674 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001361122399 1066372515 /nfs/dbraw/zinc/37/25/15/1066372515.db2.gz IGXFEPCGOHQFEI-QHCPKHFHSA-N 1 0 494.684 4.672 20 30 JJEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCCC1 ZINC001545962827 1066376431 /nfs/dbraw/zinc/37/64/31/1066376431.db2.gz KTNYTFJTWJLELV-NRFANRHFSA-N 1 0 460.548 4.860 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361155903 1066456398 /nfs/dbraw/zinc/45/63/98/1066456398.db2.gz IOJSYWMVWTWVCQ-WNCULLNHSA-N 1 0 464.658 4.869 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361156317 1066458904 /nfs/dbraw/zinc/45/89/04/1066458904.db2.gz SGPMXHAYZIEGRW-YIXXDRMTSA-N 1 0 464.658 4.724 20 30 JJEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N ZINC001361252288 1066599774 /nfs/dbraw/zinc/59/97/74/1066599774.db2.gz FZQHBUCZLIGVSL-UHFFFAOYSA-N 1 0 456.546 4.753 20 30 JJEDRO Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC2CC[NH+](CCC(C)C)CC2)cs1 ZINC001492674539 1066809136 /nfs/dbraw/zinc/80/91/36/1066809136.db2.gz UAWJTYUXDIJLML-UHFFFAOYSA-N 1 0 469.703 4.522 20 30 JJEDRO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492695497 1066842255 /nfs/dbraw/zinc/84/22/55/1066842255.db2.gz DHFXOQLVUCHGPI-SFHVURJKSA-N 1 0 463.655 4.729 20 30 JJEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492875241 1066959429 /nfs/dbraw/zinc/95/94/29/1066959429.db2.gz FHQARHOSLATQKJ-VXKWHMMOSA-N 1 0 460.548 4.539 20 30 JJEDRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001546012393 1066992548 /nfs/dbraw/zinc/99/25/48/1066992548.db2.gz HTSPWVVYFMRKIX-AEFFLSMTSA-N 1 0 465.429 4.777 20 30 JJEDRO Cc1cc(F)c(C#N)c(NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001458434158 1067059406 /nfs/dbraw/zinc/05/94/06/1067059406.db2.gz NFAHTPIQLGYQHF-UHFFFAOYSA-N 1 0 452.574 4.977 20 30 JJEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC001450546555 1067088909 /nfs/dbraw/zinc/08/89/09/1067088909.db2.gz QLTNDMIWCQMDQA-HHHXNRCGSA-N 1 0 457.574 4.957 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545804840 1067116833 /nfs/dbraw/zinc/11/68/33/1067116833.db2.gz CKXAPHGHHGPBKW-XMSQKQJNSA-N 1 0 456.610 4.664 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545805575 1067120165 /nfs/dbraw/zinc/12/01/65/1067120165.db2.gz PFHUDBIWSVIKMS-IBGZPJMESA-N 1 0 476.467 4.532 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001545807086 1067124295 /nfs/dbraw/zinc/12/42/95/1067124295.db2.gz ALVOBFIBFPRPNV-OAQYLSRUSA-N 1 0 491.453 4.953 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545807894 1067129592 /nfs/dbraw/zinc/12/95/92/1067129592.db2.gz PFAZAKSTDZDPQA-MZBJOSPHSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545807954 1067130320 /nfs/dbraw/zinc/13/03/20/1067130320.db2.gz QAKWFNCHRBHIOI-MZBJOSPHSA-N 1 0 478.685 4.969 20 30 JJEDRO Cc1cc(C#N)ccc1CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC001458814366 1067153184 /nfs/dbraw/zinc/15/31/84/1067153184.db2.gz PMXMZXNOWOETBC-UHFFFAOYSA-N 1 0 452.649 4.761 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)[NH+](C)C ZINC001545822013 1067162794 /nfs/dbraw/zinc/16/27/94/1067162794.db2.gz QVPFSCNFYCLNGF-UXGLMHHASA-N 1 0 458.695 4.693 20 30 JJEDRO COc1ccccc1/C=C(/C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC001452695593 1067245507 /nfs/dbraw/zinc/24/55/07/1067245507.db2.gz YVHMTRGMXPCQQG-ZXVVBBHZSA-N 1 0 451.570 4.888 20 30 JJEDRO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676663 1067380606 /nfs/dbraw/zinc/38/06/06/1067380606.db2.gz XSUUCCIHRJXYCS-HXUWFJFHSA-N 1 0 451.640 4.510 20 30 JJEDRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001459747960 1067404943 /nfs/dbraw/zinc/40/49/43/1067404943.db2.gz LGPGWRHPAMLUIN-VQTJNVASSA-N 1 0 454.574 4.628 20 30 JJEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748471 1067405007 /nfs/dbraw/zinc/40/50/07/1067405007.db2.gz LNBWSLIBCKIDQD-RPWUZVMVSA-N 1 0 450.627 4.879 20 30 JJEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850757 1067455702 /nfs/dbraw/zinc/45/57/02/1067455702.db2.gz NVXGMFFRBBUKJT-ZJSXRUAMSA-N 1 0 457.043 4.631 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c1C#N ZINC001459939684 1067500289 /nfs/dbraw/zinc/50/02/89/1067500289.db2.gz YYWLVOBBNPEURS-AREMUKBSSA-N 1 0 455.606 4.721 20 30 JJEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(O)(c4ccccc4Cl)CC3)sc2C1 ZINC001460058466 1067541576 /nfs/dbraw/zinc/54/15/76/1067541576.db2.gz DZZCTICRCVRCCU-INIZCTEOSA-N 1 0 458.027 4.710 20 30 JJEDRO Cc1nc(SCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC001460074427 1067547348 /nfs/dbraw/zinc/54/73/48/1067547348.db2.gz IRVRPAVWXMCAHB-UHFFFAOYSA-N 1 0 459.015 4.736 20 30 JJEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)sc2c1CCC2 ZINC001460139394 1067563139 /nfs/dbraw/zinc/56/31/39/1067563139.db2.gz LJLPGVCLERYAPJ-INIZCTEOSA-N 1 0 458.425 4.764 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC001460336089 1067610964 /nfs/dbraw/zinc/61/09/64/1067610964.db2.gz SEICJYYKSOOZMJ-NRFANRHFSA-N 1 0 456.631 4.565 20 30 JJEDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341391 1067611944 /nfs/dbraw/zinc/61/19/44/1067611944.db2.gz GUIJFGFBGPEECJ-XUVXKRRUSA-N 1 0 450.652 4.810 20 30 JJEDRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC001460388117 1067623742 /nfs/dbraw/zinc/62/37/42/1067623742.db2.gz DZUFTLNRSAWTOK-GOTSBHOMSA-N 1 0 453.558 4.979 20 30 JJEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001460408744 1067629093 /nfs/dbraw/zinc/62/90/93/1067629093.db2.gz MPBSFSJNTUSZSK-IFMALSPDSA-N 1 0 468.985 4.533 20 30 JJEDRO O=C(CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879488 1067740977 /nfs/dbraw/zinc/74/09/77/1067740977.db2.gz WVBFDHFPEUBNTL-UWVGGRQHSA-N 1 0 450.757 4.771 20 30 JJEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC001460941635 1067751496 /nfs/dbraw/zinc/75/14/96/1067751496.db2.gz SLKBJGZURWATMV-MUFBNLQYSA-N 1 0 450.579 4.944 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001546120838 1067762435 /nfs/dbraw/zinc/76/24/35/1067762435.db2.gz BCQGNILKBIFARI-QFIPXVFZSA-N 1 0 494.665 4.737 20 30 JJEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C#N)c2Br)C1 ZINC001461027113 1067764617 /nfs/dbraw/zinc/76/46/17/1067764617.db2.gz WONKNFZFVXXRQI-UHFFFAOYSA-N 1 0 451.368 4.681 20 30 JJEDRO O=C(NCC[NH2+]Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C1N=CC=CC1=O ZINC001461193044 1067796384 /nfs/dbraw/zinc/79/63/84/1067796384.db2.gz UKJQACKMJBSNOX-QZQOTICOSA-N 1 0 450.297 4.541 20 30 JJEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461244396 1067808564 /nfs/dbraw/zinc/80/85/64/1067808564.db2.gz KDFOHZOSPAXFCH-UHFFFAOYSA-N 1 0 454.452 4.626 20 30 JJEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC001461261931 1067812765 /nfs/dbraw/zinc/81/27/65/1067812765.db2.gz ZAHHVGMLHGBLDR-CQSZACIVSA-N 1 0 453.174 4.781 20 30 JJEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001461270510 1067814863 /nfs/dbraw/zinc/81/48/63/1067814863.db2.gz YSSMXHKIEBUHMP-INIZCTEOSA-N 1 0 454.876 4.827 20 30 JJEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001461270514 1067814899 /nfs/dbraw/zinc/81/48/99/1067814899.db2.gz YSSMXHKIEBUHMP-MRXNPFEDSA-N 1 0 454.876 4.827 20 30 JJEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1C(F)(F)F ZINC001462728856 1068145988 /nfs/dbraw/zinc/14/59/88/1068145988.db2.gz KZDDLLSLTCXLRP-UHFFFAOYSA-N 1 0 453.358 4.694 20 30 JJEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC001462920034 1068214836 /nfs/dbraw/zinc/21/48/36/1068214836.db2.gz BNEJZIHOJHUKFM-NRFANRHFSA-N 1 0 453.530 4.523 20 30 JJEDRO C[N@@H+]1C[C@@]23CN(C(=O)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)C[C@]2(C1)CCCC3 ZINC001463471815 1068413048 /nfs/dbraw/zinc/41/30/48/1068413048.db2.gz LHMDQHBKFIAAEG-HDICACEKSA-N 1 0 452.414 4.924 20 30 JJEDRO N#Cc1cccc(-c2cc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164413271 718881800 /nfs/dbraw/zinc/88/18/00/718881800.db2.gz GGGGHZYICZZZRR-QGZVFWFLSA-N 1 0 471.861 4.867 20 30 JJEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707735 719906480 /nfs/dbraw/zinc/90/64/80/719906480.db2.gz WWBSGOJIGZBMBX-UHFFFAOYSA-N 1 0 482.009 4.727 20 30 JJEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164707128 719907663 /nfs/dbraw/zinc/90/76/63/719907663.db2.gz NWUNNKRYVOMBGO-UHFFFAOYSA-N 1 0 482.009 4.727 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164710798 720133023 /nfs/dbraw/zinc/13/30/23/720133023.db2.gz CTPKAOUUJOPDCI-RUZDIDTESA-N 1 0 462.714 4.521 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164710860 720139384 /nfs/dbraw/zinc/13/93/84/720139384.db2.gz FDSLHBQDYLDTQH-FQEVSTJZSA-N 1 0 461.997 4.662 20 30 JJEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164712512 720152703 /nfs/dbraw/zinc/15/27/03/720152703.db2.gz NBIVLMTWTPCHDU-JOCHJYFZSA-N 1 0 461.997 4.662 20 30 JJEDRO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722592 720383154 /nfs/dbraw/zinc/38/31/54/720383154.db2.gz DPDBYUKMRCPSIA-FQLXRVMXSA-N 1 0 492.602 4.671 20 30 JJEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730947 720416797 /nfs/dbraw/zinc/41/67/97/720416797.db2.gz KALHUEUNRWDDRC-BJKOFHAPSA-N 1 0 475.713 4.543 20 30 JJEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839872 720653522 /nfs/dbraw/zinc/65/35/22/720653522.db2.gz KMARIWWRVMWQEM-JBYIUTFZSA-N 1 0 466.992 4.782 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753711 720909381 /nfs/dbraw/zinc/90/93/81/720909381.db2.gz SEBIWWZOWPRZRD-DFHRPNOPSA-N 1 0 488.035 4.910 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164750782 720936280 /nfs/dbraw/zinc/93/62/80/720936280.db2.gz KMNQQHHJFJMIKS-YZNIXAGQSA-N 1 0 485.676 4.717 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768949 721250305 /nfs/dbraw/zinc/25/03/05/721250305.db2.gz ZDPHQRXAIHEAOU-HOTGVXAUSA-N 1 0 491.373 4.650 20 30 JJEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780732 721376915 /nfs/dbraw/zinc/37/69/15/721376915.db2.gz IJFFRYKUFYXCNY-SANMLTNESA-N 1 0 480.012 4.792 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164791730 721474007 /nfs/dbraw/zinc/47/40/07/721474007.db2.gz YBYBVQLJCABLEJ-HXUWFJFHSA-N 1 0 487.019 4.633 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164786802 721474524 /nfs/dbraw/zinc/47/45/24/721474524.db2.gz CGTXEPOSFJFDDX-OAQYLSRUSA-N 1 0 483.056 4.802 20 30 JJEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905670 721585566 /nfs/dbraw/zinc/58/55/66/721585566.db2.gz KKHFXOGLXIEJAM-BVAGGSTKSA-N 1 0 474.559 4.573 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907885 721692787 /nfs/dbraw/zinc/69/27/87/721692787.db2.gz VPHVLGQRNZXBMJ-HXUWFJFHSA-N 1 0 452.336 4.701 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]21 ZINC001165028059 721801174 /nfs/dbraw/zinc/80/11/74/721801174.db2.gz YBHNKZJRCPUMBH-UCLAIMLFSA-N 1 0 466.363 4.937 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001165027053 721830679 /nfs/dbraw/zinc/83/06/79/721830679.db2.gz RJQNFORNZLSLFQ-ILWGZMRPSA-N 1 0 474.996 4.926 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164956055 722019210 /nfs/dbraw/zinc/01/92/10/722019210.db2.gz VMKJOWCSMCIPCL-UHFFFAOYSA-N 1 0 456.619 4.625 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975674 722122706 /nfs/dbraw/zinc/12/27/06/722122706.db2.gz KGACOUQFWGKANO-RCZVLFRGSA-N 1 0 481.625 4.957 20 30 JJEDRO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359738374 1064301760 /nfs/dbraw/zinc/30/17/60/1064301760.db2.gz SPJZJNKVMJHAIU-RPBOFIJWSA-N 1 0 464.658 4.864 20 30 JJEDRO CC(C)C[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001359764416 1064383140 /nfs/dbraw/zinc/38/31/40/1064383140.db2.gz APCFMUSHODZJBX-CTNGQTDRSA-N 1 0 456.610 4.664 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001359765598 1064388127 /nfs/dbraw/zinc/38/81/27/1064388127.db2.gz ZFMLORBWDWHXFK-DLBZAZTESA-N 1 0 473.046 4.518 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001359765599 1064388139 /nfs/dbraw/zinc/38/81/39/1064388139.db2.gz ZFMLORBWDWHXFK-IAGOWNOFSA-N 1 0 473.046 4.518 20 30 JJEDRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001359768882 1064398678 /nfs/dbraw/zinc/39/86/78/1064398678.db2.gz GZLFRTQRPNJXOU-XMMPIXPASA-N 1 0 463.674 4.500 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001435076390 1064498994 /nfs/dbraw/zinc/49/89/94/1064498994.db2.gz AODCCXKRFPJTMJ-UHFFFAOYSA-N 1 0 457.965 4.755 20 30 JJEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359848861 1064534699 /nfs/dbraw/zinc/53/46/99/1064534699.db2.gz FASKZKJJKMNCLH-NRFANRHFSA-N 1 0 484.092 4.593 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCSCC1 ZINC001359927099 1064662479 /nfs/dbraw/zinc/66/24/79/1064662479.db2.gz NWFIUDMOBVUNFJ-UHFFFAOYSA-N 1 0 491.503 4.523 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359927312 1064663139 /nfs/dbraw/zinc/66/31/39/1064663139.db2.gz UVFYVUSXVBDVQA-UHFFFAOYSA-N 1 0 481.714 4.858 20 30 JJEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001359927367 1064663200 /nfs/dbraw/zinc/66/32/00/1064663200.db2.gz WLVYMBVCXUJXCK-UHFFFAOYSA-N 1 0 473.463 4.958 20 30 JJEDRO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359992778 1064774986 /nfs/dbraw/zinc/77/49/86/1064774986.db2.gz CIIBDEMKXJRKCJ-FGZHOGPDSA-N 1 0 452.647 4.720 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC001360010462 1064802496 /nfs/dbraw/zinc/80/24/96/1064802496.db2.gz QDXCYRYTONJOJN-CAOCKLPOSA-N 1 0 462.686 4.978 20 30 JJEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034486 1064839421 /nfs/dbraw/zinc/83/94/21/1064839421.db2.gz FWGJGRSXODSHGV-LJQANCHMSA-N 1 0 491.467 4.739 20 30 JJEDRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c12 ZINC001360035540 1064841354 /nfs/dbraw/zinc/84/13/54/1064841354.db2.gz QBKRDVKNPSWHAL-UHFFFAOYSA-N 1 0 453.546 4.582 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001435808345 1065003064 /nfs/dbraw/zinc/00/30/64/1065003064.db2.gz MTJKVHJGNQMXDB-IBGZPJMESA-N 1 0 450.073 4.962 20 30 JJEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360305569 1065140749 /nfs/dbraw/zinc/14/07/49/1065140749.db2.gz VYRZDMPHFGZFPH-UHFFFAOYSA-N 1 0 477.682 4.780 20 30 JJEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360388291 1065252679 /nfs/dbraw/zinc/25/26/79/1065252679.db2.gz RMZZWYRZQFJXJQ-HHHXNRCGSA-N 1 0 451.570 4.505 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360466376 1065378185 /nfs/dbraw/zinc/37/81/85/1065378185.db2.gz CKHFLZCFNZOANL-QFBILLFUSA-N 1 0 459.436 4.566 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360470141 1065387511 /nfs/dbraw/zinc/38/75/11/1065387511.db2.gz LXHMWIXXXAYZKN-HNAYVOBHSA-N 1 0 473.444 4.810 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360470883 1065389664 /nfs/dbraw/zinc/38/96/64/1065389664.db2.gz WRKPYRYRCNHOOB-AAIMPIBUSA-N 1 0 459.623 4.700 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360470704 1065389827 /nfs/dbraw/zinc/38/98/27/1065389827.db2.gz UDVBKOJYNLLNBP-YKSBVNFPSA-N 1 0 476.625 4.976 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360482923 1065402970 /nfs/dbraw/zinc/40/29/70/1065402970.db2.gz NJFKQQVYMKVMID-ZBCONREDSA-N 1 0 478.685 4.846 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360482920 1065403052 /nfs/dbraw/zinc/40/30/52/1065403052.db2.gz NJFKQQVYMKVMID-BPUWIUIQSA-N 1 0 478.685 4.846 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360483560 1065403726 /nfs/dbraw/zinc/40/37/26/1065403726.db2.gz YVYNFYYIWSRNDB-CWKRKGSWSA-N 1 0 456.679 4.732 20 30 JJEDRO C[C@@H](CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC001360505205 1065439996 /nfs/dbraw/zinc/43/99/96/1065439996.db2.gz JYUQCNPYMQKNQB-KRWDZBQOSA-N 1 0 489.437 4.851 20 30 JJEDRO C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521672 1065496482 /nfs/dbraw/zinc/49/64/82/1065496482.db2.gz XQHJVLUEGBNYFL-NQIIRXRSSA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001360592345 1065601021 /nfs/dbraw/zinc/60/10/21/1065601021.db2.gz UBIGQDXZUQTXOB-OHUGHZGNSA-N 1 0 471.049 4.933 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC001360594643 1065604961 /nfs/dbraw/zinc/60/49/61/1065604961.db2.gz PZFHEXNSLHAFQU-QGZVFWFLSA-N 1 0 489.437 4.709 20 30 JJEDRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001360597180 1065612908 /nfs/dbraw/zinc/61/29/08/1065612908.db2.gz MNYJOSRILNAEJJ-GOSISDBHSA-N 1 0 459.013 4.990 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001360597181 1065612953 /nfs/dbraw/zinc/61/29/53/1065612953.db2.gz MNYJOSRILNAEJJ-SFHVURJKSA-N 1 0 459.013 4.990 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360598347 1065617324 /nfs/dbraw/zinc/61/73/24/1065617324.db2.gz XNXWUWBWOGWRJU-SFHVURJKSA-N 1 0 460.548 4.717 20 30 JJEDRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001360645749 1065721180 /nfs/dbraw/zinc/72/11/80/1065721180.db2.gz KUTDXUDFYLJUDT-KRWDZBQOSA-N 1 0 496.457 4.905 20 30 JJEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001360646923 1065722696 /nfs/dbraw/zinc/72/26/96/1065722696.db2.gz TWKCAAUVPFDALP-OAQYLSRUSA-N 1 0 457.626 4.523 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001360748121 1065789719 /nfs/dbraw/zinc/78/97/19/1065789719.db2.gz RAQWUVWSQRZLBN-QHCPKHFHSA-N 1 0 455.606 4.817 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001360748120 1065789983 /nfs/dbraw/zinc/78/99/83/1065789983.db2.gz RAQWUVWSQRZLBN-HSZRJFAPSA-N 1 0 455.606 4.817 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360750305 1065794826 /nfs/dbraw/zinc/79/48/26/1065794826.db2.gz VTACJAOQXYEOCT-LJQANCHMSA-N 1 0 480.588 4.628 20 30 JJEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001360775233 1065876638 /nfs/dbraw/zinc/87/66/38/1065876638.db2.gz RJSHCTRTDVPDPV-QFQXNSOFSA-N 1 0 468.621 4.953 20 30 JJEDRO C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001360783475 1065895990 /nfs/dbraw/zinc/89/59/90/1065895990.db2.gz LATPFLHJYDTCBX-QHCPKHFHSA-N 1 0 471.447 4.714 20 30 JJEDRO CC(C)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCCC1 ZINC001360784397 1065898596 /nfs/dbraw/zinc/89/85/96/1065898596.db2.gz DWGKPMBGQSSXKN-VWLOTQADSA-N 1 0 455.050 4.917 20 30 JJEDRO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808066 1065920156 /nfs/dbraw/zinc/92/01/56/1065920156.db2.gz DQGLVOZUSHXCHM-HHHXNRCGSA-N 1 0 464.658 4.580 20 30 JJEDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCCC1 ZINC001440373715 1065934180 /nfs/dbraw/zinc/93/41/80/1065934180.db2.gz RJWDHQFQKZEBNQ-AREMUKBSSA-N 1 0 455.558 4.713 20 30 JJEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[NH+]1CCCC1 ZINC001440373723 1065934198 /nfs/dbraw/zinc/93/41/98/1065934198.db2.gz RJWDHQFQKZEBNQ-SANMLTNESA-N 1 0 455.558 4.713 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001360873591 1066009743 /nfs/dbraw/zinc/00/97/43/1066009743.db2.gz GPXLRNKSAKTXSE-ZQIDGUAPSA-N 1 0 494.684 4.666 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001441355169 1066032543 /nfs/dbraw/zinc/03/25/43/1066032543.db2.gz ARQZOQXSPRUVHJ-GHTZIAJQSA-N 1 0 450.023 4.713 20 30 JJEDRO Cc1nc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360895007 1066047776 /nfs/dbraw/zinc/04/77/76/1066047776.db2.gz XYHSZGKMGDUGIZ-QFIPXVFZSA-N 1 0 477.682 4.862 20 30 JJEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360935570 1066095679 /nfs/dbraw/zinc/09/56/79/1066095679.db2.gz PLFLBQOLQSOUKF-PMACEKPBSA-N 1 0 477.682 4.976 20 30 JJEDRO Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360949837 1066107523 /nfs/dbraw/zinc/10/75/23/1066107523.db2.gz VDXBGVRNHRDBNR-HXUWFJFHSA-N 1 0 476.625 4.777 20 30 JJEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001442313212 1066115852 /nfs/dbraw/zinc/11/58/52/1066115852.db2.gz YGELBVJSMBRDIU-JOCHJYFZSA-N 1 0 455.484 4.576 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361032167 1066245506 /nfs/dbraw/zinc/24/55/06/1066245506.db2.gz MOWWANIQIVGHKB-HOFKKMOUSA-N 1 0 464.658 4.724 20 30 JJEDRO Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361049349 1066281320 /nfs/dbraw/zinc/28/13/20/1066281320.db2.gz ANDJEXOGFKUQHB-ZBLYBZFDSA-N 1 0 459.642 4.908 20 30 JJEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1Cl ZINC001443354584 1066299148 /nfs/dbraw/zinc/29/91/48/1066299148.db2.gz DFQPAACQDPZMFV-LJQANCHMSA-N 1 0 451.785 4.540 20 30 JJEDRO Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cc(N2CCCC2)[nH+]1 ZINC001361071192 1066311460 /nfs/dbraw/zinc/31/14/60/1066311460.db2.gz FBNPNEXYDLNPSM-MRXNPFEDSA-N 1 0 467.980 4.685 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361088274 1066329929 /nfs/dbraw/zinc/32/99/29/1066329929.db2.gz HEOIOTFLEISAPX-FNZWTVRRSA-N 1 0 485.076 4.864 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001361127467 1066388534 /nfs/dbraw/zinc/38/85/34/1066388534.db2.gz JGAYNIXBBSEZTD-MUUNZHRXSA-N 1 0 494.684 4.531 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361128148 1066390951 /nfs/dbraw/zinc/39/09/51/1066390951.db2.gz TYNOKFPXOFERFW-SVBPBHIXSA-N 1 0 496.725 4.856 20 30 JJEDRO Cc1ccc([C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)[NH+](C)C)cc1 ZINC001361134199 1066405644 /nfs/dbraw/zinc/40/56/44/1066405644.db2.gz BEGURWFWAQCFRU-JOCHJYFZSA-N 1 0 496.457 4.777 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361145416 1066427873 /nfs/dbraw/zinc/42/78/73/1066427873.db2.gz XJEDQBZPGJXGAQ-PZJWPPBQSA-N 1 0 452.628 4.577 20 30 JJEDRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361145414 1066428151 /nfs/dbraw/zinc/42/81/51/1066428151.db2.gz XJEDQBZPGJXGAQ-CTNGQTDRSA-N 1 0 452.628 4.577 20 30 JJEDRO N#Cc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1Br ZINC001444501435 1066468905 /nfs/dbraw/zinc/46/89/05/1066468905.db2.gz IDHMGXXNMOIKCD-UHFFFAOYSA-N 1 0 452.396 4.982 20 30 JJEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456065986 1066500215 /nfs/dbraw/zinc/50/02/15/1066500215.db2.gz MQPKLGKPQAESMU-UHFFFAOYSA-N 1 0 459.390 4.680 20 30 JJEDRO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361205388 1066536667 /nfs/dbraw/zinc/53/66/67/1066536667.db2.gz IIKUATMOAGNAGG-MBSDFSHPSA-N 1 0 489.437 4.578 20 30 JJEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC001456301537 1066558508 /nfs/dbraw/zinc/55/85/08/1066558508.db2.gz MKKHEMSYRVTRFI-PGRDOPGGSA-N 1 0 455.986 4.871 20 30 JJEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H](C)C1 ZINC001456301540 1066558609 /nfs/dbraw/zinc/55/86/09/1066558609.db2.gz MKKHEMSYRVTRFI-XMSQKQJNSA-N 1 0 455.986 4.871 20 30 JJEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 ZINC001446183067 1066669647 /nfs/dbraw/zinc/66/96/47/1066669647.db2.gz NCHJGTVTOTYHSK-UHFFFAOYSA-N 1 0 458.587 4.911 20 30 JJEDRO CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001492613163 1066675588 /nfs/dbraw/zinc/67/55/88/1066675588.db2.gz JGHNKDJPNNCDAG-GOTSBHOMSA-N 1 0 462.642 4.643 20 30 JJEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC001446354957 1066695514 /nfs/dbraw/zinc/69/55/14/1066695514.db2.gz QJXBCGPONUTDPW-HHHXNRCGSA-N 1 0 455.558 4.713 20 30 JJEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC001446354447 1066695604 /nfs/dbraw/zinc/69/56/04/1066695604.db2.gz IDRDYXHGUCPVKE-UHFFFAOYSA-N 1 0 451.636 4.920 20 30 JJEDRO Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001492630191 1066703479 /nfs/dbraw/zinc/70/34/79/1066703479.db2.gz PMTJLZZFGNZMEJ-IBGZPJMESA-N 1 0 477.682 4.942 20 30 JJEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492717116 1066883295 /nfs/dbraw/zinc/88/32/95/1066883295.db2.gz JWHLNJYZGDALIF-BGYRXZFFSA-N 1 0 488.684 4.560 20 30 JJEDRO CC(C)C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[NH2+][C@H](C)c1ccccc1 ZINC001457636788 1066888481 /nfs/dbraw/zinc/88/84/81/1066888481.db2.gz FRTBGVFQXPVYDW-MJGOQNOKSA-N 1 0 458.400 4.581 20 30 JJEDRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001546012396 1066992708 /nfs/dbraw/zinc/99/27/08/1066992708.db2.gz HTSPWVVYFMRKIX-WMZOPIPTSA-N 1 0 465.429 4.777 20 30 JJEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001458366463 1067042909 /nfs/dbraw/zinc/04/29/09/1067042909.db2.gz FUMXYIDZKWZNOM-UHFFFAOYSA-N 1 0 454.574 4.911 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N)[NH+](C)C ZINC001545805704 1067120907 /nfs/dbraw/zinc/12/09/07/1067120907.db2.gz QYMZIDHEJCFWMU-UZLBHIALSA-N 1 0 461.452 4.812 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N)[NH+](C)C ZINC001545805702 1067121052 /nfs/dbraw/zinc/12/10/52/1067121052.db2.gz QYMZIDHEJCFWMU-OXJNMPFZSA-N 1 0 461.452 4.812 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001545807873 1067129557 /nfs/dbraw/zinc/12/95/57/1067129557.db2.gz PBVDWHDSHNHCII-RUZDIDTESA-N 1 0 464.658 4.580 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545808032 1067131172 /nfs/dbraw/zinc/13/11/72/1067131172.db2.gz RAYFPOXRRDFFTH-JWQCQUIFSA-N 1 0 478.685 4.826 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545808067 1067131732 /nfs/dbraw/zinc/13/17/32/1067131732.db2.gz RUJWQGCAIZZHBT-RUZDIDTESA-N 1 0 462.642 4.500 20 30 JJEDRO CC(C)[NH+](CCn1c(SCCOc2cccc(C#N)c2)nc2ccccc2c1=O)C(C)C ZINC001458807114 1067151355 /nfs/dbraw/zinc/15/13/55/1067151355.db2.gz BVIHUYVVRYLAQG-UHFFFAOYSA-N 1 0 450.608 4.558 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545819246 1067153633 /nfs/dbraw/zinc/15/36/33/1067153633.db2.gz CAIQXZBKUWGODO-VWNXMTODSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545819245 1067153708 /nfs/dbraw/zinc/15/37/08/1067153708.db2.gz CAIQXZBKUWGODO-UPVQGACJSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001545819575 1067154851 /nfs/dbraw/zinc/15/48/51/1067154851.db2.gz IGMUNHLBEYDUTA-BVAGGSTKSA-N 1 0 452.647 4.662 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545820116 1067157210 /nfs/dbraw/zinc/15/72/10/1067157210.db2.gz RDIDAJUFCQKEJB-XMMPIXPASA-N 1 0 466.674 4.970 20 30 JJEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545821920 1067162412 /nfs/dbraw/zinc/16/24/12/1067162412.db2.gz OSSXNHVMNBEHHO-DNVJHFABSA-N 1 0 458.695 4.693 20 30 JJEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545821921 1067162428 /nfs/dbraw/zinc/16/24/28/1067162428.db2.gz OSSXNHVMNBEHHO-XPWALMASSA-N 1 0 458.695 4.693 20 30 JJEDRO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCN(c2ccccn2)CC1 ZINC001459666974 1067376583 /nfs/dbraw/zinc/37/65/83/1067376583.db2.gz SJYOAIQZBQDMDB-UHFFFAOYSA-N 1 0 454.018 4.529 20 30 JJEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850747 1067455643 /nfs/dbraw/zinc/45/56/43/1067455643.db2.gz NVXGMFFRBBUKJT-URXFXBBRSA-N 1 0 457.043 4.631 20 30 JJEDRO C[C@](Cc1cccc(Br)c1)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001459851794 1067457248 /nfs/dbraw/zinc/45/72/48/1067457248.db2.gz NLHQYUAKJCGJLL-DHIUTWEWSA-N 1 0 457.412 4.568 20 30 JJEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c1C#N ZINC001459861978 1067461825 /nfs/dbraw/zinc/46/18/25/1067461825.db2.gz TZNFHLXMJONKMJ-GOSISDBHSA-N 1 0 456.525 4.580 20 30 JJEDRO COc1ccc(C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862624 1067462581 /nfs/dbraw/zinc/46/25/81/1067462581.db2.gz DLHMUWKBUZOGII-RRPNLBNLSA-N 1 0 455.558 4.644 20 30 JJEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)CC1 ZINC001459958124 1067507212 /nfs/dbraw/zinc/50/72/12/1067507212.db2.gz HQBGHEQBNYRBDM-UHFFFAOYSA-N 1 0 459.521 4.893 20 30 JJEDRO CSc1ccccc1OC[C@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001460239346 1067588827 /nfs/dbraw/zinc/58/88/27/1067588827.db2.gz FXHLVKNOIXCCCH-LJQANCHMSA-N 1 0 453.526 4.809 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CCS1 ZINC001546115174 1067593857 /nfs/dbraw/zinc/59/38/57/1067593857.db2.gz VEDCTSDBVPJWTF-JOCHJYFZSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001546115166 1067593974 /nfs/dbraw/zinc/59/39/74/1067593974.db2.gz UZBFDBQTOXRLAZ-NRFANRHFSA-N 1 0 464.639 4.825 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC001460336091 1067610917 /nfs/dbraw/zinc/61/09/17/1067610917.db2.gz SEICJYYKSOOZMJ-OAQYLSRUSA-N 1 0 456.631 4.565 20 30 JJEDRO O=C(CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879484 1067740822 /nfs/dbraw/zinc/74/08/22/1067740822.db2.gz WVBFDHFPEUBNTL-NXEZZACHSA-N 1 0 450.757 4.771 20 30 JJEDRO CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001460983196 1067756725 /nfs/dbraw/zinc/75/67/25/1067756725.db2.gz XXOJBGXEGWLRLM-UHFFFAOYSA-N 1 0 454.958 4.946 20 30 JJEDRO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001546121448 1067778059 /nfs/dbraw/zinc/77/80/59/1067778059.db2.gz YOROIXIITFVJIJ-UHFFFAOYSA-N 1 0 496.725 4.963 20 30 JJEDRO Cc1ccc(Oc2ccc(OCC(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2)cc1 ZINC001461244653 1067808430 /nfs/dbraw/zinc/80/84/30/1067808430.db2.gz KKVSCUVZBQWANR-UHFFFAOYSA-N 1 0 455.558 4.819 20 30 JJEDRO C=CCc1cc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cc(OC)c1O ZINC001461404319 1067847768 /nfs/dbraw/zinc/84/77/68/1067847768.db2.gz FQBIDRDDOXHFMU-UHFFFAOYSA-N 1 0 458.606 4.501 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1OC ZINC001461409654 1067848769 /nfs/dbraw/zinc/84/87/69/1067848769.db2.gz ROJSUDYLFMNARC-HNNXBMFYSA-N 1 0 458.356 4.966 20 30 JJEDRO C[C@](CO)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 ZINC001461498360 1067876761 /nfs/dbraw/zinc/87/67/61/1067876761.db2.gz NPRNBNSNZORYHP-XMMPIXPASA-N 1 0 451.364 4.897 20 30 JJEDRO C[C@@](CO)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 ZINC001461498357 1067876801 /nfs/dbraw/zinc/87/68/01/1067876801.db2.gz NPRNBNSNZORYHP-DEOSSOPVSA-N 1 0 451.364 4.897 20 30 JJEDRO COc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001461616389 1067902581 /nfs/dbraw/zinc/90/25/81/1067902581.db2.gz LBWKGRLQHZFEOM-NRFANRHFSA-N 1 0 451.567 4.834 20 30 JJEDRO C=CCOc1c(Br)cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC001461707825 1067922700 /nfs/dbraw/zinc/92/27/00/1067922700.db2.gz QEDAXWNKOHOBKZ-NRFANRHFSA-N 1 0 454.792 4.759 20 30 JJEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC001462009900 1067979662 /nfs/dbraw/zinc/97/96/62/1067979662.db2.gz HESNSMRLSVVHEW-HSZRJFAPSA-N 1 0 458.528 4.745 20 30 JJEDRO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001462180608 1068023328 /nfs/dbraw/zinc/02/33/28/1068023328.db2.gz QZPXIXODILUBGD-UHFFFAOYSA-N 1 0 451.368 4.858 20 30 JJEDRO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c(F)c1 ZINC001462214771 1068030084 /nfs/dbraw/zinc/03/00/84/1068030084.db2.gz LLIIEETZJFLMGQ-UHFFFAOYSA-N 1 0 455.331 4.893 20 30 JJEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC001462925532 1068216595 /nfs/dbraw/zinc/21/65/95/1068216595.db2.gz NRIAQYBGPWJWNI-GOSISDBHSA-N 1 0 459.921 4.592 20 30 JJEDRO N#Cc1c(F)cccc1S(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463835592 1068541823 /nfs/dbraw/zinc/54/18/23/1068541823.db2.gz OOOHSYRKHQXYOH-DEOSSOPVSA-N 1 0 455.599 4.543 20 30 JJEDRO C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@@H]2CC ZINC001164703605 719824789 /nfs/dbraw/zinc/82/47/89/719824789.db2.gz WIVSFOJOVFSLRB-OFNKIYASSA-N 1 0 464.988 4.583 20 30 JJEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707548 719910367 /nfs/dbraw/zinc/91/03/67/719910367.db2.gz TYDDFWYYDXMTEE-UHFFFAOYSA-N 1 0 456.974 4.832 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164710799 720131586 /nfs/dbraw/zinc/13/15/86/720131586.db2.gz CTPKAOUUJOPDCI-VWLOTQADSA-N 1 0 462.714 4.521 20 30 JJEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164714853 720143195 /nfs/dbraw/zinc/14/31/95/720143195.db2.gz ZVIVVUDXLFIXKA-QFIPXVFZSA-N 1 0 459.619 4.584 20 30 JJEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839882 720653620 /nfs/dbraw/zinc/65/36/20/720653620.db2.gz KMARIWWRVMWQEM-NPPFBWRTSA-N 1 0 466.992 4.782 20 30 JJEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842747 720699464 /nfs/dbraw/zinc/69/94/64/720699464.db2.gz NCVDSPBBROGDKV-ISKFKSNPSA-N 1 0 471.580 4.531 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755745 720878328 /nfs/dbraw/zinc/87/83/28/720878328.db2.gz YRPFFZMUMXFGGZ-CJFMBICVSA-N 1 0 486.447 4.719 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164750777 720936542 /nfs/dbraw/zinc/93/65/42/720936542.db2.gz KMNQQHHJFJMIKS-VIZCGCQYSA-N 1 0 485.676 4.717 20 30 JJEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886617 721415643 /nfs/dbraw/zinc/41/56/43/721415643.db2.gz KIANHEYOZYEOFH-FIPFOOKPSA-N 1 0 487.673 4.600 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904707 721567983 /nfs/dbraw/zinc/56/79/83/721567983.db2.gz FJBGCJCCTHXSNU-FPOVZHCZSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907095 721584598 /nfs/dbraw/zinc/58/45/98/721584598.db2.gz RMRGMGWRHBERKE-IBGZPJMESA-N 1 0 488.316 4.938 20 30 JJEDRO Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907882 721692776 /nfs/dbraw/zinc/69/27/76/721692776.db2.gz VPHVLGQRNZXBMJ-FQEVSTJZSA-N 1 0 452.336 4.701 20 30 JJEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1F ZINC001164907004 721706734 /nfs/dbraw/zinc/70/67/34/721706734.db2.gz PJRAWSAOPGXDGG-XMMPIXPASA-N 1 0 498.940 4.940 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc([C@@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938823 721921057 /nfs/dbraw/zinc/92/10/57/721921057.db2.gz RVLIJSPOKUCMJO-SANMLTNESA-N 1 0 467.617 4.620 20 30 JJEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)CC3)C2)cc1 ZINC001164940138 721931127 /nfs/dbraw/zinc/93/11/27/721931127.db2.gz QNRAZECJEWCLKK-UHFFFAOYSA-N 1 0 482.628 4.907 20 30 JJEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001165053084 722005256 /nfs/dbraw/zinc/00/52/56/722005256.db2.gz HTXRAECRLUPENP-QHCPKHFHSA-N 1 0 498.052 4.632 20 30 JJEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001165053739 722005586 /nfs/dbraw/zinc/00/55/86/722005586.db2.gz UOBFIUNWBCIFTE-VWLOTQADSA-N 1 0 491.661 4.596 20 30 JJEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164966537 722062747 /nfs/dbraw/zinc/06/27/47/722062747.db2.gz VUANEFPQJXIXDM-UHFFFAOYSA-N 1 0 461.997 4.582 20 30 JJEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972635 722159646 /nfs/dbraw/zinc/15/96/46/722159646.db2.gz IUYFYOKYZHVSIV-DYESRHJHSA-N 1 0 468.388 4.536 20 30 JJEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359712471 1064261151 /nfs/dbraw/zinc/26/11/51/1064261151.db2.gz UGJHWJIYQBQWTN-JWQCQUIFSA-N 1 0 478.685 4.827 20 30 JJEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001434885063 1064316619 /nfs/dbraw/zinc/31/66/19/1064316619.db2.gz UHONPCFJWRWNLL-WUFINQPMSA-N 1 0 480.612 4.750 20 30 JJEDRO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001359745913 1064321460 /nfs/dbraw/zinc/32/14/60/1064321460.db2.gz UPQUMPXXCVIYHV-IFMALSPDSA-N 1 0 464.639 4.575 20 30 JJEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)CCS1 ZINC001359748122 1064332773 /nfs/dbraw/zinc/33/27/73/1064332773.db2.gz OYVSTNPUERFNMJ-QHCPKHFHSA-N 1 0 452.672 4.659 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+](C)C2CCCCC2)CCS1 ZINC001359755379 1064348881 /nfs/dbraw/zinc/34/88/81/1064348881.db2.gz ZAFRLKZABVFGFJ-RUZDIDTESA-N 1 0 496.725 4.961 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817387 1064499909 /nfs/dbraw/zinc/49/99/09/1064499909.db2.gz CGVZKMBPWDGYRE-FGZHOGPDSA-N 1 0 464.658 4.516 20 30 JJEDRO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359818243 1064501649 /nfs/dbraw/zinc/50/16/49/1064501649.db2.gz XBESKUHZDLIIEH-GOTSBHOMSA-N 1 0 478.685 4.764 20 30 JJEDRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001359854542 1064542055 /nfs/dbraw/zinc/54/20/55/1064542055.db2.gz ZYSKYLIHWZTYED-UHFFFAOYSA-N 1 0 456.468 4.745 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435336416 1064707319 /nfs/dbraw/zinc/70/73/19/1064707319.db2.gz AKKJIGATXFUCBQ-HNAYVOBHSA-N 1 0 450.073 4.865 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001435339083 1064709343 /nfs/dbraw/zinc/70/93/43/1064709343.db2.gz KNOUFYVXPLUYLH-GJZUVCINSA-N 1 0 455.606 4.721 20 30 JJEDRO CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001359955262 1064723823 /nfs/dbraw/zinc/72/38/23/1064723823.db2.gz YMRQMWAHNJIZEX-UHFFFAOYSA-N 1 0 478.685 4.970 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001360008077 1064795990 /nfs/dbraw/zinc/79/59/90/1064795990.db2.gz KKYVIDHMRPITRI-HSZRJFAPSA-N 1 0 486.668 4.735 20 30 JJEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360017426 1064817750 /nfs/dbraw/zinc/81/77/50/1064817750.db2.gz FKAGAKTXQAVPHN-UHFFFAOYSA-N 1 0 477.682 4.591 20 30 JJEDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001360058425 1064893909 /nfs/dbraw/zinc/89/39/09/1064893909.db2.gz RPGVUMJZEPABND-VWLOTQADSA-N 1 0 464.658 4.580 20 30 JJEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749420 1064973241 /nfs/dbraw/zinc/97/32/41/1064973241.db2.gz MXCRRXCOTIJTLJ-ORAYPTAESA-N 1 0 450.739 4.536 20 30 JJEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360097387 1064974876 /nfs/dbraw/zinc/97/48/76/1064974876.db2.gz FXHMDOVQJULKAY-UHFFFAOYSA-N 1 0 471.403 4.539 20 30 JJEDRO CC(C)[N@H+](C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 ZINC001360103272 1064983491 /nfs/dbraw/zinc/98/34/91/1064983491.db2.gz FHNCEMFEJNVCEW-UHFFFAOYSA-N 1 0 478.666 4.905 20 30 JJEDRO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001435808346 1065003185 /nfs/dbraw/zinc/00/31/85/1065003185.db2.gz MTJKVHJGNQMXDB-LJQANCHMSA-N 1 0 450.073 4.962 20 30 JJEDRO CC(C)[NH+](CCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1)C(C)C ZINC001360126411 1065020342 /nfs/dbraw/zinc/02/03/42/1065020342.db2.gz QDNDICIBODAHNL-NRFANRHFSA-N 1 0 468.556 4.846 20 30 JJEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001360144501 1065046825 /nfs/dbraw/zinc/04/68/25/1065046825.db2.gz LHVMMIVMJNOLTP-UHFFFAOYSA-N 1 0 474.556 4.866 20 30 JJEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001360354877 1065204316 /nfs/dbraw/zinc/20/43/16/1065204316.db2.gz DQJBXCFMULRBQQ-UHFFFAOYSA-N 1 0 453.583 4.971 20 30 JJEDRO CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360385335 1065248105 /nfs/dbraw/zinc/24/81/05/1065248105.db2.gz CPADQVTVFTXMCO-XMMPIXPASA-N 1 0 464.658 4.724 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001360469863 1065386082 /nfs/dbraw/zinc/38/60/82/1065386082.db2.gz IPXCMRJSCWKZLU-HNNXBMFYSA-N 1 0 465.827 4.585 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360470140 1065387283 /nfs/dbraw/zinc/38/72/83/1065387283.db2.gz LXHMWIXXXAYZKN-DNVCBOLYSA-N 1 0 473.444 4.810 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360470886 1065389759 /nfs/dbraw/zinc/38/97/59/1065389759.db2.gz WRKPYRYRCNHOOB-RZFNWQHOSA-N 1 0 459.623 4.700 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001360479050 1065396570 /nfs/dbraw/zinc/39/65/70/1065396570.db2.gz QDXNGQCOBCMQQU-DENIHFKCSA-N 1 0 450.562 4.567 20 30 JJEDRO C[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360504928 1065438142 /nfs/dbraw/zinc/43/81/42/1065438142.db2.gz FFFQADOEWLCELV-ZHRRBRCNSA-N 1 0 493.400 4.553 20 30 JJEDRO N#Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1Br ZINC001437008073 1065493692 /nfs/dbraw/zinc/49/36/92/1065493692.db2.gz MJZHUBVYRVCZQE-IAGOWNOFSA-N 1 0 467.392 4.632 20 30 JJEDRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CC1CC1)C[NH+]1CCCC1 ZINC001360592074 1065599667 /nfs/dbraw/zinc/59/96/67/1065599667.db2.gz OVHFURDADSIKBE-GOSISDBHSA-N 1 0 471.447 4.570 20 30 JJEDRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCCC1 ZINC001360596731 1065610640 /nfs/dbraw/zinc/61/06/40/1065610640.db2.gz GIHHVONTMJIILP-NHCUHLMSSA-N 1 0 468.621 4.809 20 30 JJEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360601695 1065624546 /nfs/dbraw/zinc/62/45/46/1065624546.db2.gz FHIICAGQTIUWMN-SFTDATJTSA-N 1 0 462.598 4.641 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360745916 1065787083 /nfs/dbraw/zinc/78/70/83/1065787083.db2.gz QHIGQLSKTNURIU-NXQMDHLFSA-N 1 0 466.561 4.583 20 30 JJEDRO CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808068 1065920846 /nfs/dbraw/zinc/92/08/46/1065920846.db2.gz DQGLVOZUSHXCHM-MHZLTWQESA-N 1 0 464.658 4.580 20 30 JJEDRO CC1(C)CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360808074 1065920979 /nfs/dbraw/zinc/92/09/79/1065920979.db2.gz DWICOHISDBWLLF-UHFFFAOYSA-N 1 0 488.558 4.550 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2CC[NH+](C3CC3)CC2)c1C ZINC001360866493 1065988495 /nfs/dbraw/zinc/98/84/95/1065988495.db2.gz UIGRJPXOSMHUTP-TZIWHRDSSA-N 1 0 450.631 4.648 20 30 JJEDRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360874654 1066014395 /nfs/dbraw/zinc/01/43/95/1066014395.db2.gz NUQONMPEIJPAIF-LXHIVTORSA-N 1 0 464.658 4.897 20 30 JJEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 ZINC001441330208 1066029645 /nfs/dbraw/zinc/02/96/45/1066029645.db2.gz ZKNMBXSFHGRWRU-NHCUHLMSSA-N 1 0 455.558 4.890 20 30 JJEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360935569 1066095612 /nfs/dbraw/zinc/09/56/12/1066095612.db2.gz PLFLBQOLQSOUKF-BGYRXZFFSA-N 1 0 477.682 4.976 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001442385258 1066121953 /nfs/dbraw/zinc/12/19/53/1066121953.db2.gz JENWVYYUGJRPSL-NRFANRHFSA-N 1 0 450.023 4.715 20 30 JJEDRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360989721 1066163170 /nfs/dbraw/zinc/16/31/70/1066163170.db2.gz JVONQCBGKCNGJJ-CVBYOTHMSA-N 1 0 489.039 4.862 20 30 JJEDRO N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc2)c1 ZINC001443164326 1066275903 /nfs/dbraw/zinc/27/59/03/1066275903.db2.gz PLNCRMOIFHMBND-UHFFFAOYSA-N 1 0 455.558 4.594 20 30 JJEDRO CC[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001545956384 1066287733 /nfs/dbraw/zinc/28/77/33/1066287733.db2.gz BODOCIRDPJTGTE-NFBKMPQASA-N 1 0 459.642 4.965 20 30 JJEDRO CC[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001545956387 1066288099 /nfs/dbraw/zinc/28/80/99/1066288099.db2.gz BODOCIRDPJTGTE-REWPJTCUSA-N 1 0 459.642 4.965 20 30 JJEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1Cl ZINC001443354519 1066299206 /nfs/dbraw/zinc/29/92/06/1066299206.db2.gz DFQPAACQDPZMFV-IBGZPJMESA-N 1 0 451.785 4.540 20 30 JJEDRO Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001361084444 1066322613 /nfs/dbraw/zinc/32/26/13/1066322613.db2.gz SBXSRRCKFGSQNR-JOCHJYFZSA-N 1 0 473.625 4.564 20 30 JJEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361088276 1066330255 /nfs/dbraw/zinc/33/02/55/1066330255.db2.gz HEOIOTFLEISAPX-IBVKSMDESA-N 1 0 485.076 4.864 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001361127468 1066388510 /nfs/dbraw/zinc/38/85/10/1066388510.db2.gz JGAYNIXBBSEZTD-NDEPHWFRSA-N 1 0 494.684 4.531 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361128137 1066391003 /nfs/dbraw/zinc/39/10/03/1066391003.db2.gz SUXVQESHFAMTQM-WXVAWEFUSA-N 1 0 464.658 4.903 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361128134 1066391152 /nfs/dbraw/zinc/39/11/52/1066391152.db2.gz SUXVQESHFAMTQM-AJTFRIOCSA-N 1 0 464.658 4.903 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001444083458 1066402421 /nfs/dbraw/zinc/40/24/21/1066402421.db2.gz CEIRNAWTPFPRDQ-ICSRJNTNSA-N 1 0 450.023 4.802 20 30 JJEDRO N#Cc1cccc(-c2cc(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCCC4)cc3)on2)c1 ZINC001361176023 1066494597 /nfs/dbraw/zinc/49/45/97/1066494597.db2.gz HBDQUYQRISAKIS-UHFFFAOYSA-N 1 0 457.534 4.670 20 30 JJEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456058266 1066497469 /nfs/dbraw/zinc/49/74/69/1066497469.db2.gz QRJQPOZBCNLYRG-UHFFFAOYSA-N 1 0 452.370 4.947 20 30 JJEDRO Cc1ccc(-c2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2CCSC(F)(F)F)o1 ZINC001361218238 1066554530 /nfs/dbraw/zinc/55/45/30/1066554530.db2.gz QNWRGFHQEPGAIZ-UHFFFAOYSA-N 1 0 490.555 4.684 20 30 JJEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001456487083 1066596755 /nfs/dbraw/zinc/59/67/55/1066596755.db2.gz DSNFCRYYMFTWSV-QLBJFCOMSA-N 1 0 459.615 4.961 20 30 JJEDRO N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)c2)c1 ZINC001446035699 1066649233 /nfs/dbraw/zinc/64/92/33/1066649233.db2.gz MNFAMVYOJUAOMC-UHFFFAOYSA-N 1 0 455.558 4.594 20 30 JJEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492717117 1066883187 /nfs/dbraw/zinc/88/31/87/1066883187.db2.gz JWHLNJYZGDALIF-PMACEKPBSA-N 1 0 488.684 4.560 20 30 JJEDRO CC(C)C[C@H](CNC(=O)COc1cccc(Br)c1C#N)[NH2+][C@H](C)c1ccccc1 ZINC001457636782 1066888630 /nfs/dbraw/zinc/88/86/30/1066888630.db2.gz FRTBGVFQXPVYDW-IEBWSBKVSA-N 1 0 458.400 4.581 20 30 JJEDRO CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736938 1067001212 /nfs/dbraw/zinc/00/12/12/1067001212.db2.gz XPEKLKFOOBOUDC-WPFOTENUSA-N 1 0 478.685 4.838 20 30 JJEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC001545753152 1067029156 /nfs/dbraw/zinc/02/91/56/1067029156.db2.gz KUCOPZYJZQFYBM-GOTSBHOMSA-N 1 0 453.970 4.502 20 30 JJEDRO N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450139050 1067053105 /nfs/dbraw/zinc/05/31/05/1067053105.db2.gz HXJUKRJJMHQNNO-VSGBNLITSA-N 1 0 452.602 4.847 20 30 JJEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[NH+](C)C)cc1 ZINC001450552420 1067090455 /nfs/dbraw/zinc/09/04/55/1067090455.db2.gz YLBJHBDXZQYVDA-HHHXNRCGSA-N 1 0 457.574 4.957 20 30 JJEDRO N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001450831457 1067127179 /nfs/dbraw/zinc/12/71/79/1067127179.db2.gz GKZMSYFNHJXPQD-DEOSSOPVSA-N 1 0 453.590 4.597 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545819454 1067154909 /nfs/dbraw/zinc/15/49/09/1067154909.db2.gz GIQRNCAPFGLMRQ-HYBUGGRVSA-N 1 0 466.674 4.968 20 30 JJEDRO CCC(CC)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001545819690 1067155637 /nfs/dbraw/zinc/15/56/37/1067155637.db2.gz KJSFFPQXKMPSFH-VWLOTQADSA-N 1 0 461.658 4.847 20 30 JJEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545820115 1067157186 /nfs/dbraw/zinc/15/71/86/1067157186.db2.gz RDIDAJUFCQKEJB-DEOSSOPVSA-N 1 0 466.674 4.970 20 30 JJEDRO N#Cc1cccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1Br ZINC001452533463 1067232604 /nfs/dbraw/zinc/23/26/04/1067232604.db2.gz YBMITGRVNRDYPD-UHFFFAOYSA-N 1 0 452.396 4.839 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001459538575 1067347574 /nfs/dbraw/zinc/34/75/74/1067347574.db2.gz GJHOWQJFGCDVNJ-ZTCOLXNVSA-N 1 0 452.574 4.569 20 30 JJEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784980 1067421005 /nfs/dbraw/zinc/42/10/05/1067421005.db2.gz HIBQBWFKEGIAIU-DWXRJYCRSA-N 1 0 451.636 4.523 20 30 JJEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842302 1067449615 /nfs/dbraw/zinc/44/96/15/1067449615.db2.gz GWPZENIWIGMCJM-ZEQRLZLVSA-N 1 0 456.993 4.565 20 30 JJEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC001459848217 1067453666 /nfs/dbraw/zinc/45/36/66/1067453666.db2.gz GOEAFLSYCKAZSK-DEOSSOPVSA-N 1 0 458.562 4.896 20 30 JJEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001459850485 1067455618 /nfs/dbraw/zinc/45/56/18/1067455618.db2.gz KRHCJWJTIWBBNJ-DEOSSOPVSA-N 1 0 458.562 4.896 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858542 1067460415 /nfs/dbraw/zinc/46/04/15/1067460415.db2.gz OOLPTXNSQDGOTK-LEWJYISDSA-N 1 0 455.562 4.628 20 30 JJEDRO COc1ccc(C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862617 1067462367 /nfs/dbraw/zinc/46/23/67/1067462367.db2.gz DLHMUWKBUZOGII-KAYWLYCHSA-N 1 0 455.558 4.644 20 30 JJEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459905195 1067482545 /nfs/dbraw/zinc/48/25/45/1067482545.db2.gz YYXUEUIZGKOPIQ-CTNGQTDRSA-N 1 0 450.652 4.670 20 30 JJEDRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 ZINC001459937489 1067499149 /nfs/dbraw/zinc/49/91/49/1067499149.db2.gz XEPZXKYPDQGRRK-NRFANRHFSA-N 1 0 454.574 4.556 20 30 JJEDRO C=CCC[N@@H+](C)CC(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCC ZINC001459955495 1067505691 /nfs/dbraw/zinc/50/56/91/1067505691.db2.gz DBUXXZSCFUFODK-UHFFFAOYSA-N 1 0 451.386 4.801 20 30 JJEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)ccc2c1 ZINC001460045915 1067538455 /nfs/dbraw/zinc/53/84/55/1067538455.db2.gz BEXIJVXXIYMCHU-FQEVSTJZSA-N 1 0 457.574 4.610 20 30 JJEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119269 1067558992 /nfs/dbraw/zinc/55/89/92/1067558992.db2.gz GSNURBJJEVCESC-RPBOFIJWSA-N 1 0 456.590 4.878 20 30 JJEDRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134291 1067561508 /nfs/dbraw/zinc/56/15/08/1067561508.db2.gz IHESCPAQIGUEPD-HSZRJFAPSA-N 1 0 456.590 4.868 20 30 JJEDRO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134292 1067561557 /nfs/dbraw/zinc/56/15/57/1067561557.db2.gz IHESCPAQIGUEPD-QHCPKHFHSA-N 1 0 456.590 4.868 20 30 JJEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001460157521 1067566916 /nfs/dbraw/zinc/56/69/16/1067566916.db2.gz MJTLOPMWESZESR-ROUUACIJSA-N 1 0 452.580 4.574 20 30 JJEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC001460168715 1067568774 /nfs/dbraw/zinc/56/87/74/1067568774.db2.gz IRNZCBZRYCHDLP-RUZDIDTESA-N 1 0 455.562 4.938 20 30 JJEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211582 1067580449 /nfs/dbraw/zinc/58/04/49/1067580449.db2.gz GWSVEIGHUVTDQE-LEWJYISDSA-N 1 0 451.571 4.610 20 30 JJEDRO CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC[NH+](C)CC2)CCS1 ZINC001546114681 1067581086 /nfs/dbraw/zinc/58/10/86/1067581086.db2.gz BRYAQNCEOLCPPD-UHFFFAOYSA-N 1 0 484.739 4.756 20 30 JJEDRO C#CC[N@@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777748 1067721469 /nfs/dbraw/zinc/72/14/69/1067721469.db2.gz JBLBPKIJXCMRAE-UHFFFAOYSA-N 1 0 458.986 4.844 20 30 JJEDRO CN(C)c1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874875 1067740108 /nfs/dbraw/zinc/74/01/08/1067740108.db2.gz IOFLVTIOPLNHHA-GASCZTMLSA-N 1 0 453.377 4.904 20 30 JJEDRO Cc1c(Cl)cccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC001460915035 1067747284 /nfs/dbraw/zinc/74/72/84/1067747284.db2.gz OIUIHXKIFOJGJV-MRXNPFEDSA-N 1 0 457.043 4.857 20 30 JJEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC001460941649 1067751674 /nfs/dbraw/zinc/75/16/74/1067751674.db2.gz SLKBJGZURWATMV-YKFMDHBFSA-N 1 0 450.579 4.944 20 30 JJEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001461064075 1067773856 /nfs/dbraw/zinc/77/38/56/1067773856.db2.gz FCWLOYNPVANSFI-HXUWFJFHSA-N 1 0 458.528 4.548 20 30 JJEDRO OC[C@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1 ZINC001461331854 1067830873 /nfs/dbraw/zinc/83/08/73/1067830873.db2.gz JGVJDMILSLEBKE-AWEZNQCLSA-N 1 0 455.370 4.606 20 30 JJEDRO OC[C@@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1 ZINC001461331855 1067830926 /nfs/dbraw/zinc/83/09/26/1067830926.db2.gz JGVJDMILSLEBKE-CQSZACIVSA-N 1 0 455.370 4.606 20 30 JJEDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)c2)cc1 ZINC001461432726 1067854852 /nfs/dbraw/zinc/85/48/52/1067854852.db2.gz RZEGQMSPPHTNLG-UHFFFAOYSA-N 1 0 451.530 4.509 20 30 JJEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC001461481034 1067871003 /nfs/dbraw/zinc/87/10/03/1067871003.db2.gz OMAQRXFIQAKVMR-UHFFFAOYSA-N 1 0 459.059 4.995 20 30 JJEDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001461616393 1067902647 /nfs/dbraw/zinc/90/26/47/1067902647.db2.gz LBWKGRLQHZFEOM-OAQYLSRUSA-N 1 0 451.567 4.834 20 30 JJEDRO CC[NH+](CC)[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC001462009903 1067979611 /nfs/dbraw/zinc/97/96/11/1067979611.db2.gz HESNSMRLSVVHEW-QHCPKHFHSA-N 1 0 458.528 4.745 20 30 JJEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291518 1068044362 /nfs/dbraw/zinc/04/43/62/1068044362.db2.gz GVVZOMAIPOBGGH-URXFXBBRSA-N 1 0 452.982 4.879 20 30 JJEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001463346583 1068366321 /nfs/dbraw/zinc/36/63/21/1068366321.db2.gz BNNPSPHLHDTWOW-DYESRHJHSA-N 1 0 453.633 4.660 20 30 JJEDRO N#Cc1ccc(CS(=O)(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001463834463 1068541265 /nfs/dbraw/zinc/54/12/65/1068541265.db2.gz LPCMTHYIAYLILG-SANMLTNESA-N 1 0 451.636 4.545 20 30 JJEDRO N#Cc1cc(F)cc(S(=O)(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001463837477 1068542492 /nfs/dbraw/zinc/54/24/92/1068542492.db2.gz XQRHTZKXYKZPNI-RUZDIDTESA-N 1 0 455.599 4.543 20 30 JJEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001464597735 1068794702 /nfs/dbraw/zinc/79/47/02/1068794702.db2.gz QFDQQOPFPCDYQS-OAQYLSRUSA-N 1 0 450.023 4.715 20 30 JJEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622493 719112778 /nfs/dbraw/zinc/11/27/78/719112778.db2.gz CAZNZGXWROLRJS-HOCLYGCPSA-N 1 0 471.861 4.666 20 30 JJEDRO CCCc1cc(C#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164681032 719671313 /nfs/dbraw/zinc/67/13/13/719671313.db2.gz ISFMCYWHUJEXNQ-OAQYLSRUSA-N 1 0 494.083 4.653 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C#N ZINC001164697092 719894787 /nfs/dbraw/zinc/89/47/87/719894787.db2.gz JOKMAJSYZCHEIM-UHFFFAOYSA-N 1 0 477.659 4.670 20 30 JJEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839854 720653643 /nfs/dbraw/zinc/65/36/43/720653643.db2.gz KHNQGNBLLCYPJI-ZMPRRUGASA-N 1 0 470.955 4.612 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164839715 720699884 /nfs/dbraw/zinc/69/98/84/720699884.db2.gz BLELCIXFGXONMB-QHCPKHFHSA-N 1 0 485.657 4.997 20 30 JJEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164786793 721474664 /nfs/dbraw/zinc/47/46/64/721474664.db2.gz CGTXEPOSFJFDDX-NRFANRHFSA-N 1 0 483.056 4.802 20 30 JJEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1F ZINC001164906999 721706747 /nfs/dbraw/zinc/70/67/47/721706747.db2.gz PJRAWSAOPGXDGG-DEOSSOPVSA-N 1 0 498.940 4.940 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001165024213 721813704 /nfs/dbraw/zinc/81/37/04/721813704.db2.gz JULWGOLWWKTLRU-XVWGUNQUSA-N 1 0 476.987 4.940 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001165029055 721825070 /nfs/dbraw/zinc/82/50/70/721825070.db2.gz WSGBAYMJDSNRBO-HNPKZYAISA-N 1 0 467.617 4.859 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001165027052 721830545 /nfs/dbraw/zinc/83/05/45/721830545.db2.gz RJQNFORNZLSLFQ-CEMLEFRQSA-N 1 0 474.996 4.926 20 30 JJEDRO N#Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975676 722122053 /nfs/dbraw/zinc/12/20/53/722122053.db2.gz KGACOUQFWGKANO-RDGATRHJSA-N 1 0 481.625 4.957 20 30 JJEDRO CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001359745221 1064317931 /nfs/dbraw/zinc/31/79/31/1064317931.db2.gz CUUOKIIRVICRKN-QFIPXVFZSA-N 1 0 464.658 4.866 20 30 JJEDRO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359745916 1064321518 /nfs/dbraw/zinc/32/15/18/1064321518.db2.gz UPQUMPXXCVIYHV-UNMCSNQZSA-N 1 0 464.639 4.575 20 30 JJEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359747760 1064330299 /nfs/dbraw/zinc/33/02/99/1064330299.db2.gz HXLFCKRSTHYMFC-JTHBVZDNSA-N 1 0 452.672 4.515 20 30 JJEDRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001359764835 1064385303 /nfs/dbraw/zinc/38/53/03/1064385303.db2.gz KMBMJUOGWBHZMK-OAQYLSRUSA-N 1 0 498.473 4.530 20 30 JJEDRO CC(C)C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001359765600 1064388175 /nfs/dbraw/zinc/38/81/75/1064388175.db2.gz ZFMLORBWDWHXFK-IRXDYDNUSA-N 1 0 473.046 4.518 20 30 JJEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001359771698 1064406248 /nfs/dbraw/zinc/40/62/48/1064406248.db2.gz BIWGOXLFOFQOCP-RBBKRZOGSA-N 1 0 452.647 4.577 20 30 JJEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359841277 1064528284 /nfs/dbraw/zinc/52/82/84/1064528284.db2.gz IPCGBDKELRLQAC-UHFFFAOYSA-N 1 0 495.722 4.699 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001359947992 1064699200 /nfs/dbraw/zinc/69/92/00/1064699200.db2.gz GYAAVMVSXFSSGV-IBGZPJMESA-N 1 0 458.601 4.644 20 30 JJEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001359948897 1064700943 /nfs/dbraw/zinc/70/09/43/1064700943.db2.gz TXBSWNGAUUTUNV-NRFANRHFSA-N 1 0 464.658 4.579 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360008101 1064796083 /nfs/dbraw/zinc/79/60/83/1064796083.db2.gz KTKPXJUKGWTHRN-ROUUACIJSA-N 1 0 491.453 4.953 20 30 JJEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 ZINC001360009771 1064799846 /nfs/dbraw/zinc/79/98/46/1064799846.db2.gz FLYHPVCTFAEKAF-DEOSSOPVSA-N 1 0 491.728 4.823 20 30 JJEDRO Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1NC(=O)CC[NH+](C)C ZINC001435802396 1064999593 /nfs/dbraw/zinc/99/95/93/1064999593.db2.gz OLXBKPAMXOSEPS-UHFFFAOYSA-N 1 0 456.546 4.996 20 30 JJEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1)C(C)C ZINC001360124196 1065016146 /nfs/dbraw/zinc/01/61/46/1065016146.db2.gz XCPPXDLIGBYMIR-RUZDIDTESA-N 1 0 464.658 4.721 20 30 JJEDRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC001360125633 1065018206 /nfs/dbraw/zinc/01/82/06/1065018206.db2.gz QQRTXKGCMJTYMP-AREMUKBSSA-N 1 0 493.700 4.617 20 30 JJEDRO CC(C)[NH+](CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(C)C ZINC001360126696 1065020856 /nfs/dbraw/zinc/02/08/56/1065020856.db2.gz VVPOZMNMWKBWSG-OYRHEFFESA-N 1 0 488.627 4.965 20 30 JJEDRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C ZINC001360128345 1065022445 /nfs/dbraw/zinc/02/24/45/1065022445.db2.gz GMXDFKIWMQEOHZ-VWLOTQADSA-N 1 0 477.701 4.538 20 30 JJEDRO Cc1nc2cc(F)c(F)cc2n1CC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001435898452 1065051389 /nfs/dbraw/zinc/05/13/89/1065051389.db2.gz VSVZLYHGGJFBFI-UHFFFAOYSA-N 1 0 456.264 4.942 20 30 JJEDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001360149754 1065053769 /nfs/dbraw/zinc/05/37/69/1065053769.db2.gz BHAWRKRGEZPSGU-UHFFFAOYSA-N 1 0 460.548 4.716 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360470100 1065386706 /nfs/dbraw/zinc/38/67/06/1065386706.db2.gz LLMDBCVCCZXVIR-KBXCAEBGSA-N 1 0 491.821 4.995 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360470102 1065386732 /nfs/dbraw/zinc/38/67/32/1065386732.db2.gz LLMDBCVCCZXVIR-KSSFIOAISA-N 1 0 491.821 4.995 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001360471634 1065391538 /nfs/dbraw/zinc/39/15/38/1065391538.db2.gz LJTDEOCCCZNDQP-WMZOPIPTSA-N 1 0 456.019 4.630 20 30 JJEDRO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360480649 1065399774 /nfs/dbraw/zinc/39/97/74/1065399774.db2.gz DRWQORYKHLNQMB-KHCICDEESA-N 1 0 482.629 4.879 20 30 JJEDRO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360483563 1065403808 /nfs/dbraw/zinc/40/38/08/1065403808.db2.gz YVYNFYYIWSRNDB-MLDBQTBOSA-N 1 0 456.679 4.732 20 30 JJEDRO C[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCCC1 ZINC001360504925 1065438229 /nfs/dbraw/zinc/43/82/29/1065438229.db2.gz FFFQADOEWLCELV-AOMKIAJQSA-N 1 0 493.400 4.553 20 30 JJEDRO C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521674 1065496381 /nfs/dbraw/zinc/49/63/81/1065496381.db2.gz XQHJVLUEGBNYFL-WIYYLYMNSA-N 1 0 463.655 4.634 20 30 JJEDRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[N@H+](C)C1CC1 ZINC001360540940 1065526726 /nfs/dbraw/zinc/52/67/26/1065526726.db2.gz JWHYKLLBECYJGC-IVZQSRNASA-N 1 0 491.865 4.974 20 30 JJEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1nccs1 ZINC001360542326 1065531464 /nfs/dbraw/zinc/53/14/64/1065531464.db2.gz TZQUAVKWKSZDMD-LJQANCHMSA-N 1 0 463.655 4.635 20 30 JJEDRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001360592344 1065601005 /nfs/dbraw/zinc/60/10/05/1065601005.db2.gz UBIGQDXZUQTXOB-FHAGJXEFSA-N 1 0 471.049 4.933 20 30 JJEDRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001360592346 1065601031 /nfs/dbraw/zinc/60/10/31/1065601031.db2.gz UBIGQDXZUQTXOB-RNHFSVANSA-N 1 0 471.049 4.933 20 30 JJEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360601694 1065624558 /nfs/dbraw/zinc/62/45/58/1065624558.db2.gz FHIICAGQTIUWMN-RTWAWAEBSA-N 1 0 462.598 4.641 20 30 JJEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360743272 1065778759 /nfs/dbraw/zinc/77/87/59/1065778759.db2.gz DBFKZBDQAAAFPK-NHCUHLMSSA-N 1 0 468.621 4.952 20 30 JJEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360745915 1065787098 /nfs/dbraw/zinc/78/70/98/1065787098.db2.gz QHIGQLSKTNURIU-HMHJJOSWSA-N 1 0 466.561 4.583 20 30 JJEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360770001 1065863887 /nfs/dbraw/zinc/86/38/87/1065863887.db2.gz RHUJUQNXCSCEHG-RLSLOFABSA-N 1 0 472.584 4.654 20 30 JJEDRO C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC[NH+]2CCCC2)C1 ZINC001360783276 1065895325 /nfs/dbraw/zinc/89/53/25/1065895325.db2.gz GYEKFRSZTXMGRI-JOCHJYFZSA-N 1 0 491.865 4.977 20 30 JJEDRO C[C@@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001360785289 1065899148 /nfs/dbraw/zinc/89/91/48/1065899148.db2.gz SPZBJZNDICKXRO-VWLOTQADSA-N 1 0 456.585 4.543 20 30 JJEDRO CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001360792687 1065907055 /nfs/dbraw/zinc/90/70/55/1065907055.db2.gz YIDPAVPYFUQAMW-UHFFFAOYSA-N 1 0 475.424 4.556 20 30 JJEDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[NH+]1CCCC1 ZINC001440371459 1065933714 /nfs/dbraw/zinc/93/37/14/1065933714.db2.gz NZFBVPYRTNJTPL-AREMUKBSSA-N 1 0 455.558 4.713 20 30 JJEDRO CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001360852021 1065967087 /nfs/dbraw/zinc/96/70/87/1065967087.db2.gz VJBDEGPGTYXVHA-UHFFFAOYSA-N 1 0 483.458 4.962 20 30 JJEDRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC[NH+](C3CC3)CC2)c1C ZINC001360866491 1065988688 /nfs/dbraw/zinc/98/86/88/1065988688.db2.gz UIGRJPXOSMHUTP-FPOVZHCZSA-N 1 0 450.631 4.648 20 30 JJEDRO N#CCSc1cccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001441311360 1066024774 /nfs/dbraw/zinc/02/47/74/1066024774.db2.gz LCPOVSISKJFQNT-UHFFFAOYSA-N 1 0 456.615 4.554 20 30 JJEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001441355172 1066032504 /nfs/dbraw/zinc/03/25/04/1066032504.db2.gz ARQZOQXSPRUVHJ-NQIIRXRSSA-N 1 0 450.023 4.713 20 30 JJEDRO C[NH+](C)CCc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 ZINC001441724060 1066064519 /nfs/dbraw/zinc/06/45/19/1066064519.db2.gz BCCHFGKNAPJPON-UHFFFAOYSA-N 1 0 458.509 4.981 20 30 JJEDRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361026643 1066226880 /nfs/dbraw/zinc/22/68/80/1066226880.db2.gz DVRMXWVVXFLYAU-AREMUKBSSA-N 1 0 468.621 4.571 20 30 JJEDRO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454122686 1066248494 /nfs/dbraw/zinc/24/84/94/1066248494.db2.gz UFUSPSDJNNFODO-GOTSBHOMSA-N 1 0 455.643 4.655 20 30 JJEDRO Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045248 1066269232 /nfs/dbraw/zinc/26/92/32/1066269232.db2.gz RBQUMJDEOLKIMB-DVECYGJZSA-N 1 0 471.609 4.987 20 30 JJEDRO CC[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001545956386 1066287811 /nfs/dbraw/zinc/28/78/11/1066287811.db2.gz BODOCIRDPJTGTE-OFNKIYASSA-N 1 0 459.642 4.965 20 30 JJEDRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001545959060 1066316357 /nfs/dbraw/zinc/31/63/57/1066316357.db2.gz PFIBRNIZILCTRT-DVECYGJZSA-N 1 0 458.557 4.551 20 30 JJEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC001443530807 1066323953 /nfs/dbraw/zinc/32/39/53/1066323953.db2.gz JMORMXRBFZQMLE-UHFFFAOYSA-N 1 0 454.577 4.736 20 30 JJEDRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001361122398 1066372397 /nfs/dbraw/zinc/37/23/97/1066372397.db2.gz IGXFEPCGOHQFEI-HSZRJFAPSA-N 1 0 494.684 4.672 20 30 JJEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001445051124 1066533597 /nfs/dbraw/zinc/53/35/97/1066533597.db2.gz SEXYEIBNPPEVQF-HXUWFJFHSA-N 1 0 455.562 4.538 20 30 JJEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H](C)C1 ZINC001456301534 1066558471 /nfs/dbraw/zinc/55/84/71/1066558471.db2.gz MKKHEMSYRVTRFI-GCJKJVERSA-N 1 0 455.986 4.871 20 30 JJEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001445344738 1066559969 /nfs/dbraw/zinc/55/99/69/1066559969.db2.gz FVZFHKLMIKFTII-KBPBESRZSA-N 1 0 458.418 4.595 20 30 JJEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC001457043173 1066751074 /nfs/dbraw/zinc/75/10/74/1066751074.db2.gz ZLYVSFUIYZUUEN-UHFFFAOYSA-N 1 0 450.542 4.988 20 30 JJEDRO Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492665290 1066786114 /nfs/dbraw/zinc/78/61/14/1066786114.db2.gz CUHQVWDKHXYMFT-NHCUHLMSSA-N 1 0 491.709 4.900 20 30 JJEDRO N#Cc1cc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)ncc1Br ZINC001458092836 1066972799 /nfs/dbraw/zinc/97/27/99/1066972799.db2.gz HZQOXLAELHKFPH-UHFFFAOYSA-N 1 0 457.372 4.906 20 30 JJEDRO CC[C@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736939 1067001422 /nfs/dbraw/zinc/00/14/22/1067001422.db2.gz XPEKLKFOOBOUDC-ZDXQCDESSA-N 1 0 478.685 4.838 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001458347510 1067037711 /nfs/dbraw/zinc/03/77/11/1067037711.db2.gz HQIXYCYHZMAIRU-RCZVLFRGSA-N 1 0 455.606 4.721 20 30 JJEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001458347518 1067038048 /nfs/dbraw/zinc/03/80/48/1067038048.db2.gz HQIXYCYHZMAIRU-RDGATRHJSA-N 1 0 455.606 4.721 20 30 JJEDRO CC[NH+](CC)CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001458347777 1067038229 /nfs/dbraw/zinc/03/82/29/1067038229.db2.gz JWDPKLXICAVCNV-UHFFFAOYSA-N 1 0 458.406 4.979 20 30 JJEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CSc2ccc(C#N)cc2)CC1 ZINC001450696026 1067104328 /nfs/dbraw/zinc/10/43/28/1067104328.db2.gz ARDDZQTWUJCMAJ-UHFFFAOYSA-N 1 0 458.425 4.536 20 30 JJEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545807239 1067125043 /nfs/dbraw/zinc/12/50/43/1067125043.db2.gz DQCIDPXEJJSAMJ-DHIUTWEWSA-N 1 0 454.688 4.905 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001545807525 1067126222 /nfs/dbraw/zinc/12/62/22/1067126222.db2.gz JPUONRLEUICDTF-DEOSSOPVSA-N 1 0 459.642 4.990 20 30 JJEDRO N#Cc1cccnc1NCc1cccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001450831462 1067127642 /nfs/dbraw/zinc/12/76/42/1067127642.db2.gz GKZMSYFNHJXPQD-XMMPIXPASA-N 1 0 453.590 4.597 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)C#N)[NH+](C)C ZINC001545808413 1067129663 /nfs/dbraw/zinc/12/96/63/1067129663.db2.gz YBSCROVNUXRUPI-QRWLVFNGSA-N 1 0 479.442 4.809 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545807895 1067130214 /nfs/dbraw/zinc/13/02/14/1067130214.db2.gz PFAZAKSTDZDPQA-NYMACZPPSA-N 1 0 478.685 4.969 20 30 JJEDRO CCC(CC)[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001545808456 1067134511 /nfs/dbraw/zinc/13/45/11/1067134511.db2.gz ZBGKXWMJEVBSEV-YADHBBJMSA-N 1 0 496.656 4.908 20 30 JJEDRO CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546104732 1067196613 /nfs/dbraw/zinc/19/66/13/1067196613.db2.gz HRFMLAAVBWKVLQ-NHCUHLMSSA-N 1 0 464.658 4.721 20 30 JJEDRO C#CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459505852 1067340095 /nfs/dbraw/zinc/34/00/95/1067340095.db2.gz DHEAREMVIDGGME-OALUTQOASA-N 1 0 454.286 4.960 20 30 JJEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771912 1067415655 /nfs/dbraw/zinc/41/56/55/1067415655.db2.gz OGBNXXDGVXJLHD-VAMGGRTRSA-N 1 0 450.652 4.668 20 30 JJEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)cc1 ZINC001459795010 1067427026 /nfs/dbraw/zinc/42/70/26/1067427026.db2.gz IZGGPPVBWAVBRJ-HSZRJFAPSA-N 1 0 459.615 4.724 20 30 JJEDRO CCCCc1ccc([C@H]([NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847492 1067453056 /nfs/dbraw/zinc/45/30/56/1067453056.db2.gz ZVUFDWBATQEYGJ-ZEQKJWHPSA-N 1 0 452.668 4.786 20 30 JJEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850752 1067455572 /nfs/dbraw/zinc/45/55/72/1067455572.db2.gz NVXGMFFRBBUKJT-XUZZJYLKSA-N 1 0 457.043 4.631 20 30 JJEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001459850487 1067455681 /nfs/dbraw/zinc/45/56/81/1067455681.db2.gz KRHCJWJTIWBBNJ-XMMPIXPASA-N 1 0 458.562 4.896 20 30 JJEDRO C[C@](Cc1cccc(Br)c1)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001459851807 1067457193 /nfs/dbraw/zinc/45/71/93/1067457193.db2.gz NLHQYUAKJCGJLL-XZOQPEGZSA-N 1 0 457.412 4.568 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858546 1067460306 /nfs/dbraw/zinc/46/03/06/1067460306.db2.gz OOLPTXNSQDGOTK-RTWAWAEBSA-N 1 0 455.562 4.628 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858544 1067460374 /nfs/dbraw/zinc/46/03/74/1067460374.db2.gz OOLPTXNSQDGOTK-NHCUHLMSSA-N 1 0 455.562 4.628 20 30 JJEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001460003408 1067522853 /nfs/dbraw/zinc/52/28/53/1067522853.db2.gz PXWVDCLGICOMEU-SFHVURJKSA-N 1 0 452.624 4.956 20 30 JJEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015279 1067528218 /nfs/dbraw/zinc/52/82/18/1067528218.db2.gz IVEOKMQUYZEZBW-YADHBBJMSA-N 1 0 456.631 4.565 20 30 JJEDRO C#Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@](C)(CCCC)c2cccc(Br)c2)c1 ZINC001460049405 1067539270 /nfs/dbraw/zinc/53/92/70/1067539270.db2.gz HBZNXMJYDQDPQD-QHCPKHFHSA-N 1 0 456.384 4.774 20 30 JJEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)s1 ZINC001460073659 1067546893 /nfs/dbraw/zinc/54/68/93/1067546893.db2.gz PGDFGVHPKACCBF-HXUWFJFHSA-N 1 0 459.059 4.719 20 30 JJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460148462 1067565399 /nfs/dbraw/zinc/56/53/99/1067565399.db2.gz OBKWMYGMRAEBPR-HOTGVXAUSA-N 1 0 451.571 4.891 20 30 JJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460148468 1067565419 /nfs/dbraw/zinc/56/54/19/1067565419.db2.gz OBKWMYGMRAEBPR-JKSUJKDBSA-N 1 0 451.571 4.891 20 30 JJEDRO N#Cc1ccc(N2CCC[C@@H](N3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280452 1067597015 /nfs/dbraw/zinc/59/70/15/1067597015.db2.gz SLXLNEPBHGMPQE-DHIUTWEWSA-N 1 0 452.396 4.913 20 30 JJEDRO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001460341388 1067611996 /nfs/dbraw/zinc/61/19/96/1067611996.db2.gz GUIJFGFBGPEECJ-VAMGGRTRSA-N 1 0 450.652 4.810 20 30 JJEDRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC001460389395 1067624607 /nfs/dbraw/zinc/62/46/07/1067624607.db2.gz KLWHENTZYIDQHX-UPVQGACJSA-N 1 0 453.558 4.979 20 30 JJEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1C ZINC001460710832 1067706332 /nfs/dbraw/zinc/70/63/32/1067706332.db2.gz RIWMVNNNLRGBKQ-UHFFFAOYSA-N 1 0 456.631 4.710 20 30 JJEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776292 1067721625 /nfs/dbraw/zinc/72/16/25/1067721625.db2.gz VUMGTIFCWBRNDT-CEXWTWQISA-N 1 0 460.644 4.502 20 30 JJEDRO O=C(CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879477 1067740767 /nfs/dbraw/zinc/74/07/67/1067740767.db2.gz WVBFDHFPEUBNTL-AOOOYVTPSA-N 1 0 450.757 4.771 20 30 JJEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC001461261930 1067813103 /nfs/dbraw/zinc/81/31/03/1067813103.db2.gz ZAHHVGMLHGBLDR-AWEZNQCLSA-N 1 0 453.174 4.781 20 30 JJEDRO N#CCCn1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(-c2ccncc2)n1 ZINC001461470438 1067865826 /nfs/dbraw/zinc/86/58/26/1067865826.db2.gz HFSXUTPQCDMKFB-UAPYVXQJSA-N 1 0 454.347 4.796 20 30 JJEDRO C=CCOc1ccc(CNc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1Cl ZINC001461670603 1067915064 /nfs/dbraw/zinc/91/50/64/1067915064.db2.gz WNVMCLYUVOEZNS-UHFFFAOYSA-N 1 0 458.990 4.969 20 30 JJEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001463346589 1068366294 /nfs/dbraw/zinc/36/62/94/1068366294.db2.gz BNNPSPHLHDTWOW-UWJYYQICSA-N 1 0 453.633 4.660 20 30 JJEDRO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001464072185 1068605636 /nfs/dbraw/zinc/60/56/36/1068605636.db2.gz IAHUKEOXQMMETR-FOCLMDBBSA-N 1 0 453.586 4.690 20 30 JJEDRO N#Cc1cccc(COc2cccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)c2)c1 ZINC001464188833 1068648844 /nfs/dbraw/zinc/64/88/44/1068648844.db2.gz MKHYASCODCPRCI-UHFFFAOYSA-N 1 0 455.558 4.594 20 30 JJEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([C@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694113 719811088 /nfs/dbraw/zinc/81/10/88/719811088.db2.gz VALMVIMUOZRRRW-OAQYLSRUSA-N 1 0 462.598 4.671 20 30 JJEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694111 719811197 /nfs/dbraw/zinc/81/11/97/719811197.db2.gz VALMVIMUOZRRRW-NRFANRHFSA-N 1 0 462.598 4.671 20 30 JJEDRO C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@H]2CC ZINC001164703609 719824630 /nfs/dbraw/zinc/82/46/30/719824630.db2.gz WIVSFOJOVFSLRB-REWPJTCUSA-N 1 0 464.988 4.583 20 30 JJEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707024 719910054 /nfs/dbraw/zinc/91/00/54/719910054.db2.gz MNEWNATYPSRIRC-UHFFFAOYSA-N 1 0 474.964 4.971 20 30 JJEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001164823791 720321743 /nfs/dbraw/zinc/32/17/43/720321743.db2.gz BFPMPKMVFBDRRD-ZEQRLZLVSA-N 1 0 485.657 4.746 20 30 JJEDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164734104 720548369 /nfs/dbraw/zinc/54/83/69/720548369.db2.gz UQYKVZQRONDEFV-GOSISDBHSA-N 1 0 475.971 4.730 20 30 JJEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748585 720873550 /nfs/dbraw/zinc/87/35/50/720873550.db2.gz GBAWAIHTJJEQAG-FREGXXQWSA-N 1 0 497.618 4.909 20 30 JJEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751414 720912005 /nfs/dbraw/zinc/91/20/05/720912005.db2.gz MHGMGLAFFQKKKP-YWEHKCAJSA-N 1 0 485.657 4.832 20 30 JJEDRO N#Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749173 720930329 /nfs/dbraw/zinc/93/03/29/720930329.db2.gz IEADNKZPBNVUSV-LXFBAYGMSA-N 1 0 488.035 4.910 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870851 721195694 /nfs/dbraw/zinc/19/56/94/721195694.db2.gz WQHNWEQMCMYNPS-PKTZIBPZSA-N 1 0 495.961 4.693 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762697 721247753 /nfs/dbraw/zinc/24/77/53/721247753.db2.gz LHGAONUOXBDCNJ-LEWJYISDSA-N 1 0 482.966 4.510 20 30 JJEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768948 721250788 /nfs/dbraw/zinc/25/07/88/721250788.db2.gz ZDPHQRXAIHEAOU-CVEARBPZSA-N 1 0 491.373 4.650 20 30 JJEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904704 721568176 /nfs/dbraw/zinc/56/81/76/721568176.db2.gz FJBGCJCCTHXSNU-CTNGQTDRSA-N 1 0 499.924 4.695 20 30 JJEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907096 721584769 /nfs/dbraw/zinc/58/47/69/721584769.db2.gz RMRGMGWRHBERKE-LJQANCHMSA-N 1 0 488.316 4.938 20 30 JJEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905674 721585856 /nfs/dbraw/zinc/58/58/56/721585856.db2.gz KKHFXOGLXIEJAM-OZXSUGGESA-N 1 0 474.559 4.573 20 30 JJEDRO N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907036 721722758 /nfs/dbraw/zinc/72/27/58/721722758.db2.gz PQVWHVYTDPCKLZ-QHCPKHFHSA-N 1 0 453.924 4.893 20 30 JJEDRO CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164912629 721736827 /nfs/dbraw/zinc/73/68/27/721736827.db2.gz OZPORAQMXWCNPV-RUZDIDTESA-N 1 0 451.565 4.700 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001165028057 721801181 /nfs/dbraw/zinc/80/11/81/721801181.db2.gz YBHNKZJRCPUMBH-POZUXBRTSA-N 1 0 466.363 4.937 20 30 JJEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001165024207 721813778 /nfs/dbraw/zinc/81/37/78/721813778.db2.gz JULWGOLWWKTLRU-CODAWKSHSA-N 1 0 476.987 4.940 20 30 JJEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027822 721817126 /nfs/dbraw/zinc/81/71/26/721817126.db2.gz VYYRGADTSQXHOI-TUACAJSNSA-N 1 0 470.646 4.869 20 30 JJEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972646 722159569 /nfs/dbraw/zinc/15/95/69/722159569.db2.gz IUYFYOKYZHVSIV-UTKZUKDTSA-N 1 0 468.388 4.536 20 30 JJEDRO