smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733615 720431707 /nfs/dbraw/zinc/43/17/07/720431707.db2.gz PZYUXMSMJJEPBP-UXHICEINSA-N 1 0 389.890 4.008 20 30 GIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165033596 721863073 /nfs/dbraw/zinc/86/30/73/721863073.db2.gz RQVHTXRJEBIGJI-UHFFFAOYSA-N 1 0 376.838 4.103 20 30 GIEDRO C[C@H](NC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1 ZINC000570487975 823045028 /nfs/dbraw/zinc/04/50/28/823045028.db2.gz FKVKAGYSJXIUMC-MBSDFSHPSA-N 1 0 375.516 4.035 20 30 GIEDRO C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000458779642 823084652 /nfs/dbraw/zinc/08/46/52/823084652.db2.gz RQENMLBOQOGAPB-YUXAGFNASA-N 1 0 378.520 4.412 20 30 GIEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458843487 823096582 /nfs/dbraw/zinc/09/65/82/823096582.db2.gz PPAANHOJZAJJDG-FCHUYYIVSA-N 1 0 394.519 4.032 20 30 GIEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000570917864 823107491 /nfs/dbraw/zinc/10/74/91/823107491.db2.gz BXCYZJFKPAKSRW-UHFFFAOYSA-N 1 0 390.487 4.346 20 30 GIEDRO C=CCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000121079424 823114619 /nfs/dbraw/zinc/11/46/19/823114619.db2.gz OAEAJEASYVBVLA-LJQANCHMSA-N 1 0 393.531 4.356 20 30 GIEDRO N#CCc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000571039954 823124090 /nfs/dbraw/zinc/12/40/90/823124090.db2.gz TWZJKSPGVJPGSV-UHFFFAOYSA-N 1 0 376.504 4.450 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000187845643 823145164 /nfs/dbraw/zinc/14/51/64/823145164.db2.gz LFNBVKNFEGXOAV-UHFFFAOYSA-N 1 0 397.563 4.000 20 30 GIEDRO CC(C)(CC#N)CNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459230254 823148860 /nfs/dbraw/zinc/14/88/60/823148860.db2.gz FRDLEWIWJXTFFH-NRFANRHFSA-N 1 0 396.579 4.258 20 30 GIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000176206689 823152839 /nfs/dbraw/zinc/15/28/39/823152839.db2.gz SUPQPZBXSPQFEG-NRFANRHFSA-N 1 0 389.536 4.070 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000121335048 823165264 /nfs/dbraw/zinc/16/52/64/823165264.db2.gz GUGOTNBASWXBNC-OAHLLOKOSA-N 1 0 375.394 4.303 20 30 GIEDRO Cc1nc([C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000121501099 823195353 /nfs/dbraw/zinc/19/53/53/823195353.db2.gz BDTCMENXLXARBF-CYBMUJFWSA-N 1 0 398.898 4.106 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188200261 823202329 /nfs/dbraw/zinc/20/23/29/823202329.db2.gz OEPMLZIWTDMITH-LJQANCHMSA-N 1 0 387.527 4.138 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599370 823205759 /nfs/dbraw/zinc/20/57/59/823205759.db2.gz XNVSVNIRVHLFFQ-WDYCEAGBSA-N 1 0 378.442 4.121 20 30 GIEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000056750697 823207028 /nfs/dbraw/zinc/20/70/28/823207028.db2.gz XREBZFPVWYCGEG-MRXNPFEDSA-N 1 0 398.894 4.467 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056813614 823218397 /nfs/dbraw/zinc/21/83/97/823218397.db2.gz GJHPXWUESRKTQK-UHFFFAOYSA-N 1 0 393.531 4.189 20 30 GIEDRO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000459567202 823221851 /nfs/dbraw/zinc/22/18/51/823221851.db2.gz JPQUNOROXQNCQY-UHFFFAOYSA-N 1 0 380.517 4.102 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)c1C#N ZINC000459621996 823231380 /nfs/dbraw/zinc/23/13/80/823231380.db2.gz XTYCCJSLTUNZKL-IVZQSRNASA-N 1 0 382.508 4.115 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)c1 ZINC000459649777 823238852 /nfs/dbraw/zinc/23/88/52/823238852.db2.gz WAQYAFKYOIYJRB-NHCUHLMSSA-N 1 0 392.547 4.335 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459662845 823244649 /nfs/dbraw/zinc/24/46/49/823244649.db2.gz BKVYMRDOZIJHFE-SJORKVTESA-N 1 0 383.467 4.129 20 30 GIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000057090473 823249108 /nfs/dbraw/zinc/24/91/08/823249108.db2.gz DKWTWQVBQPGNIN-UHFFFAOYSA-N 1 0 380.488 4.036 20 30 GIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459685670 823250300 /nfs/dbraw/zinc/25/03/00/823250300.db2.gz FPZJZROJFQGGSB-IBGZPJMESA-N 1 0 379.504 4.218 20 30 GIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459692660 823251573 /nfs/dbraw/zinc/25/15/73/823251573.db2.gz MPARJBGNYWVZED-UHFFFAOYSA-N 1 0 383.448 4.212 20 30 GIEDRO C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000176632521 823253351 /nfs/dbraw/zinc/25/33/51/823253351.db2.gz CZJSSICOQJGOMT-WIYYLYMNSA-N 1 0 399.560 4.195 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459762706 823261872 /nfs/dbraw/zinc/26/18/72/823261872.db2.gz VKWHGCQRCAVQAH-XZOQPEGZSA-N 1 0 375.447 4.048 20 30 GIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000459777622 823263926 /nfs/dbraw/zinc/26/39/26/823263926.db2.gz XDSODYCOYCFODQ-QGZVFWFLSA-N 1 0 377.467 4.061 20 30 GIEDRO Cc1cccc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000121982986 823288533 /nfs/dbraw/zinc/28/85/33/823288533.db2.gz GHSHPDXNKVUGEC-UHFFFAOYSA-N 1 0 385.515 4.094 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000409720001 823290235 /nfs/dbraw/zinc/29/02/35/823290235.db2.gz LISPNAWMDGELGD-OAHLLOKOSA-N 1 0 380.458 4.453 20 30 GIEDRO N#CC[C@H](CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572174259 823294643 /nfs/dbraw/zinc/29/46/43/823294643.db2.gz HRPXXZKVNBCEDH-LADGPHEKSA-N 1 0 389.543 4.492 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000057450728 823299000 /nfs/dbraw/zinc/29/90/00/823299000.db2.gz LCVGCHDDAUWHCN-HNNXBMFYSA-N 1 0 382.514 4.395 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(Cl)c2)C(=S)NC(C)(C)C)cc1 ZINC000122088149 823304369 /nfs/dbraw/zinc/30/43/69/823304369.db2.gz RFNBXTVJJPPKEM-UHFFFAOYSA-O 1 0 379.908 4.402 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)c1 ZINC000011260759 818066496 /nfs/dbraw/zinc/06/64/96/818066496.db2.gz BNPFFZHLZRZCRX-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000122124471 823309599 /nfs/dbraw/zinc/30/95/99/823309599.db2.gz MYJLDHRZBSHNFG-GCJKJVERSA-N 1 0 392.478 4.216 20 30 GIEDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 ZINC000176909554 823321966 /nfs/dbraw/zinc/32/19/66/823321966.db2.gz LRYBQMBPEFEEKV-UHFFFAOYSA-N 1 0 388.496 4.418 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)C(CC)CC)CC2)ccc1OC ZINC000057965368 823351260 /nfs/dbraw/zinc/35/12/60/823351260.db2.gz RFMSTHZVBHPLCP-UHFFFAOYSA-N 1 0 388.552 4.167 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2cccc(CO)c2)s1 ZINC000022729147 818851268 /nfs/dbraw/zinc/85/12/68/818851268.db2.gz ODDHXZRTNUVWIG-UHFFFAOYSA-O 1 0 397.545 4.196 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000022795160 818861963 /nfs/dbraw/zinc/86/19/63/818861963.db2.gz BRAYDHHJGOWKET-UHFFFAOYSA-O 1 0 380.320 4.385 20 30 GIEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1ccc(C#N)cc1 ZINC000410053905 823381105 /nfs/dbraw/zinc/38/11/05/823381105.db2.gz OOMXDGQZFYAMOB-HSZRJFAPSA-N 1 0 389.543 4.080 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058396992 823385977 /nfs/dbraw/zinc/38/59/77/823385977.db2.gz RCVUTDOUZIHKIW-ISKFKSNPSA-N 1 0 378.516 4.224 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000177159957 823386916 /nfs/dbraw/zinc/38/69/16/823386916.db2.gz VKLLNFPLQVRATQ-LPHOPBHVSA-N 1 0 391.540 4.206 20 30 GIEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCCC2)cc1 ZINC000058453626 823393939 /nfs/dbraw/zinc/39/39/39/823393939.db2.gz QUMHOMAABGUZDR-JOCHJYFZSA-N 1 0 392.503 4.224 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000058452355 823393335 /nfs/dbraw/zinc/39/33/35/823393335.db2.gz JSUSKCYQDSENGS-QGZVFWFLSA-N 1 0 376.504 4.420 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCSC2)cc1OC ZINC000572916053 823419112 /nfs/dbraw/zinc/41/91/12/823419112.db2.gz OADDFSUQILLCET-ZDUSSCGKSA-N 1 0 386.355 4.255 20 30 GIEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Oc1ccccc1 ZINC000189481598 823427154 /nfs/dbraw/zinc/42/71/54/823427154.db2.gz LUFANUDOGUVGOP-UHFFFAOYSA-N 1 0 390.487 4.443 20 30 GIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000026447554 820097665 /nfs/dbraw/zinc/09/76/65/820097665.db2.gz LJFLYINNHIDRKB-UHFFFAOYSA-N 1 0 389.565 4.108 20 30 GIEDRO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026484070 820104012 /nfs/dbraw/zinc/10/40/12/820104012.db2.gz IGPICOXYIMBTCC-KRWDZBQOSA-N 1 0 392.446 4.072 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000573143576 823454873 /nfs/dbraw/zinc/45/48/73/823454873.db2.gz QOJDPHRHHVIPRC-VWMXVWASSA-N 1 0 376.500 4.461 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000573170849 823459478 /nfs/dbraw/zinc/45/94/78/823459478.db2.gz ODDQDBKLQBJREW-XLIONFOSSA-N 1 0 382.305 4.177 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1C)[n+]1ccccc1 ZINC000027095563 820193934 /nfs/dbraw/zinc/19/39/34/820193934.db2.gz ANWGGOFTJAUGQG-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2ccccc2)c1 ZINC000027181433 820206497 /nfs/dbraw/zinc/20/64/97/820206497.db2.gz QZRGVCWWGUUGNX-UHFFFAOYSA-O 1 0 389.500 4.268 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027209736 820209602 /nfs/dbraw/zinc/20/96/02/820209602.db2.gz CKCYXJDAYBIQGU-JTHBVZDNSA-N 1 0 392.886 4.331 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000027284481 820220616 /nfs/dbraw/zinc/22/06/16/820220616.db2.gz DYFCSCYYPGDKDW-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027316106 820223824 /nfs/dbraw/zinc/22/38/24/820223824.db2.gz WQAWHADOHXBLRH-UHFFFAOYSA-O 1 0 397.564 4.145 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027324128 820224302 /nfs/dbraw/zinc/22/43/02/820224302.db2.gz IGGLDWDBBHBGST-UHFFFAOYSA-O 1 0 397.564 4.190 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1ccc(C)cc1 ZINC000027327556 820224588 /nfs/dbraw/zinc/22/45/88/820224588.db2.gz NAPHGKXJCILPEU-UHFFFAOYSA-O 1 0 393.479 4.212 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1CC ZINC000027325517 820224742 /nfs/dbraw/zinc/22/47/42/820224742.db2.gz MENSUTRXKYUTRJ-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2CCCCC2)cc1 ZINC000027329694 820225083 /nfs/dbraw/zinc/22/50/83/820225083.db2.gz KABCTAUCENUPFC-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027329876 820225265 /nfs/dbraw/zinc/22/52/65/820225265.db2.gz CMIBEPMFYAOXCV-UHFFFAOYSA-O 1 0 375.464 4.113 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2CCCCC2)cc1 ZINC000027329800 820225311 /nfs/dbraw/zinc/22/53/11/820225311.db2.gz HZIRWOJHRGMXTB-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)C(C)C)cc1OCC ZINC000027379443 820235429 /nfs/dbraw/zinc/23/54/29/820235429.db2.gz ROCQSGWQWFDYLQ-QHCPKHFHSA-N 1 0 395.503 4.281 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1ccc(C)cc1 ZINC000027485533 820251036 /nfs/dbraw/zinc/25/10/36/820251036.db2.gz QGDDKSGCKMAYOM-IEBWSBKVSA-O 1 0 397.564 4.398 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027578711 820262556 /nfs/dbraw/zinc/26/25/56/820262556.db2.gz DXZKNMZJBDOHOM-IERDGZPVSA-N 1 0 399.922 4.178 20 30 GIEDRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1OCCCC#N ZINC000123200608 823477831 /nfs/dbraw/zinc/47/78/31/823477831.db2.gz AHYLZBMFDSKLEY-UHFFFAOYSA-N 1 0 386.442 4.477 20 30 GIEDRO Cc1nc(-c2ccc(CC[NH2+]Cc3cnc4ccc(C#N)cn34)s2)cs1 ZINC000123202143 823477950 /nfs/dbraw/zinc/47/79/50/823477950.db2.gz XGOLIOWRMIWNAK-UHFFFAOYSA-N 1 0 379.514 4.032 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000058989434 823479954 /nfs/dbraw/zinc/47/99/54/823479954.db2.gz JKXXOROQORMLDB-UHFFFAOYSA-N 1 0 394.277 4.208 20 30 GIEDRO CCc1cccc[n+]1CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000029576585 820479209 /nfs/dbraw/zinc/47/92/09/820479209.db2.gz HSGSXHMBPXHCKY-NRFANRHFSA-N 1 0 375.517 4.417 20 30 GIEDRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101878 820742404 /nfs/dbraw/zinc/74/24/04/820742404.db2.gz JFXXTRNDRKYFMC-PXNSSMCTSA-N 1 0 396.560 4.453 20 30 GIEDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000189934447 823515493 /nfs/dbraw/zinc/51/54/93/823515493.db2.gz GXVBXJRJODZEKC-SSDOTTSWSA-N 1 0 386.308 4.417 20 30 GIEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460804439 823517133 /nfs/dbraw/zinc/51/71/33/823517133.db2.gz QBJQYUAWSPMKHN-IBGZPJMESA-N 1 0 391.519 4.215 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000177771546 823523708 /nfs/dbraw/zinc/52/37/08/823523708.db2.gz FJMXJUSQRGTBNT-UXHICEINSA-N 1 0 391.540 4.408 20 30 GIEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060482678 823533075 /nfs/dbraw/zinc/53/30/75/823533075.db2.gz IKGNSJGVWKRDEX-UHFFFAOYSA-N 1 0 395.890 4.135 20 30 GIEDRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC(C#N)CC2)cc1 ZINC000123708899 823533715 /nfs/dbraw/zinc/53/37/15/823533715.db2.gz NPYSPQYFSAUJRW-UHFFFAOYSA-N 1 0 386.499 4.343 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231068 821377731 /nfs/dbraw/zinc/37/77/31/821377731.db2.gz CNYGRMLXWNQCEM-HXUWFJFHSA-N 1 0 396.560 4.378 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)ccc1OC ZINC000180815544 821475667 /nfs/dbraw/zinc/47/56/67/821475667.db2.gz TVAVQPFCZAYVCP-BEFAXECRSA-N 1 0 399.466 4.022 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815433 821475804 /nfs/dbraw/zinc/47/58/04/821475804.db2.gz QGJKBUUFBXSCHM-RDJZCZTQSA-N 1 0 384.476 4.244 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NC(C)C)cc1 ZINC000044557454 821609117 /nfs/dbraw/zinc/60/91/17/821609117.db2.gz OPBBXZRKZDXVAJ-UHFFFAOYSA-O 1 0 381.565 4.352 20 30 GIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000181213141 821700306 /nfs/dbraw/zinc/70/03/06/821700306.db2.gz UOOFIVWBRDQLDE-QGZVFWFLSA-N 1 0 388.433 4.244 20 30 GIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000181213123 821700317 /nfs/dbraw/zinc/70/03/17/821700317.db2.gz UOOFIVWBRDQLDE-KRWDZBQOSA-N 1 0 388.433 4.244 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181287121 821735599 /nfs/dbraw/zinc/73/55/99/821735599.db2.gz FNBZAWWWKAUCIB-OAHLLOKOSA-N 1 0 376.485 4.361 20 30 GIEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCCC2)cc1 ZINC000181399368 821806712 /nfs/dbraw/zinc/80/67/12/821806712.db2.gz VWRUKTOODOGYMX-YADARESESA-N 1 0 393.531 4.475 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000181418332 821815643 /nfs/dbraw/zinc/81/56/43/821815643.db2.gz UMBVZLQCEFNOIF-UHFFFAOYSA-N 1 0 393.918 4.290 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(O)c(OC)c1 ZINC000181466353 821838840 /nfs/dbraw/zinc/83/88/40/821838840.db2.gz YFTPSAXFRBCIEU-INIZCTEOSA-N 1 0 395.425 4.182 20 30 GIEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000181574313 821885450 /nfs/dbraw/zinc/88/54/50/821885450.db2.gz JOEBTLLIRNUDMF-APWZRJJASA-N 1 0 381.476 4.056 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181575584 821886108 /nfs/dbraw/zinc/88/61/08/821886108.db2.gz SIFCPGYXIPKDTD-ZDUSSCGKSA-N 1 0 387.480 4.227 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000181640774 821918320 /nfs/dbraw/zinc/91/83/20/821918320.db2.gz KRMUWKJPUNLBNU-UHFFFAOYSA-N 1 0 377.507 4.373 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000181653506 821924278 /nfs/dbraw/zinc/92/42/78/821924278.db2.gz ZRXGGDDNYLDFMV-ZWKOTPCHSA-N 1 0 376.504 4.226 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(-c2ccccc2)n1 ZINC000181824262 822007796 /nfs/dbraw/zinc/00/77/96/822007796.db2.gz CMLHWWCPZXAULV-UHFFFAOYSA-N 1 0 396.498 4.154 20 30 GIEDRO CO[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000181997554 822057609 /nfs/dbraw/zinc/05/76/09/822057609.db2.gz NJAMZUJESUNXCL-QFIPXVFZSA-N 1 0 383.923 4.153 20 30 GIEDRO CC(C)(C)c1nc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000182095938 822092232 /nfs/dbraw/zinc/09/22/32/822092232.db2.gz TYKWZRYQZQBXQQ-UHFFFAOYSA-N 1 0 382.577 4.109 20 30 GIEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182180487 822135976 /nfs/dbraw/zinc/13/59/76/822135976.db2.gz NRDNWYMRLPYXGL-GOSISDBHSA-N 1 0 377.488 4.058 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000178032239 822290792 /nfs/dbraw/zinc/29/07/92/822290792.db2.gz ULFNULHTVRKTHJ-SFHVURJKSA-N 1 0 378.476 4.156 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182352 822368181 /nfs/dbraw/zinc/36/81/81/822368181.db2.gz RZBINGWJZIAGOQ-UHFFFAOYSA-N 1 0 396.922 4.018 20 30 GIEDRO COc1ccccc1NC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178505522 822386071 /nfs/dbraw/zinc/38/60/71/822386071.db2.gz MTRMRTLETHRCCB-UHFFFAOYSA-N 1 0 382.891 4.051 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000045788002 822413779 /nfs/dbraw/zinc/41/37/79/822413779.db2.gz WXBIVNOOEVTLOC-LJQANCHMSA-N 1 0 390.531 4.132 20 30 GIEDRO N#Cc1c[nH]c(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000454359927 822461701 /nfs/dbraw/zinc/46/17/01/822461701.db2.gz MVDUCKWARHXUKQ-HSZRJFAPSA-N 1 0 390.531 4.183 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000454480020 822482125 /nfs/dbraw/zinc/48/21/25/822482125.db2.gz GPEKUOMBCZFDOL-KXBFYZLASA-N 1 0 382.895 4.069 20 30 GIEDRO CC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179464251 822486557 /nfs/dbraw/zinc/48/65/57/822486557.db2.gz QQSNKBLQXPMDIY-MRXNPFEDSA-N 1 0 376.460 4.412 20 30 GIEDRO CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179464608 822486565 /nfs/dbraw/zinc/48/65/65/822486565.db2.gz IDRAJVHSARLWFX-MRXNPFEDSA-N 1 0 388.471 4.303 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000454535108 822492823 /nfs/dbraw/zinc/49/28/23/822492823.db2.gz FJHLCNPLFYUHGM-UHFFFAOYSA-N 1 0 393.934 4.047 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179514108 822494334 /nfs/dbraw/zinc/49/43/34/822494334.db2.gz DNFDCTMNALZBIP-DLBZAZTESA-N 1 0 397.906 4.267 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)F)c1 ZINC000179585890 822507198 /nfs/dbraw/zinc/50/71/98/822507198.db2.gz OPIVPINTQYKGPB-NSHDSACASA-N 1 0 379.794 4.102 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179595193 822509358 /nfs/dbraw/zinc/50/93/58/822509358.db2.gz XLLHRKQIQHCZEY-VXGBXAGGSA-N 1 0 377.391 4.047 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000183731621 822518183 /nfs/dbraw/zinc/51/81/83/822518183.db2.gz IZKOQPMIUVNOJS-LBPRGKRZSA-N 1 0 382.514 4.341 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179685587 822526882 /nfs/dbraw/zinc/52/68/82/822526882.db2.gz OORMEAVWYDTASU-HNNXBMFYSA-N 1 0 383.492 4.437 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926732 822531655 /nfs/dbraw/zinc/53/16/55/822531655.db2.gz UZDPDQBZXHUIQI-UHFFFAOYSA-N 1 0 377.941 4.361 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179733768 822538061 /nfs/dbraw/zinc/53/80/61/822538061.db2.gz AQESJOOEQATLFJ-HKUYNNGSSA-N 1 0 397.544 4.123 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183954215 822553435 /nfs/dbraw/zinc/55/34/35/822553435.db2.gz ILHUVEKXYNJLPY-QZTJIDSGSA-N 1 0 384.549 4.131 20 30 GIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1 ZINC000180037532 822602213 /nfs/dbraw/zinc/60/22/13/822602213.db2.gz ACWVJVLAZJAJBL-DLBZAZTESA-N 1 0 380.492 4.228 20 30 GIEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000180113180 822617936 /nfs/dbraw/zinc/61/79/36/822617936.db2.gz XKHFPKZJXFNZGJ-ZEQRLZLVSA-N 1 0 381.479 4.400 20 30 GIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000184348308 822620035 /nfs/dbraw/zinc/62/00/35/822620035.db2.gz YJINCUWPTMQBGB-ZDUSSCGKSA-N 1 0 394.475 4.419 20 30 GIEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000180156438 822628846 /nfs/dbraw/zinc/62/88/46/822628846.db2.gz CMDNMZLLBMNJEP-XMMPIXPASA-N 1 0 399.542 4.194 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000180157504 822629032 /nfs/dbraw/zinc/62/90/32/822629032.db2.gz CUEXQAOXBZNTRE-UHFFFAOYSA-N 1 0 395.466 4.436 20 30 GIEDRO Cn1cc(C[NH+]2CCC(OCC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231663 822644665 /nfs/dbraw/zinc/64/46/65/822644665.db2.gz HJHYHAHECQFEOB-UHFFFAOYSA-N 1 0 378.520 4.130 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000048216912 822646104 /nfs/dbraw/zinc/64/61/04/822646104.db2.gz VOMLQNUOBDOAIC-GOSISDBHSA-N 1 0 376.504 4.105 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184521643 822650212 /nfs/dbraw/zinc/65/02/12/822650212.db2.gz FMQYKXSTCOAARP-HNNXBMFYSA-N 1 0 379.485 4.420 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000184527545 822651290 /nfs/dbraw/zinc/65/12/90/822651290.db2.gz PTQGKJREWWGOAH-CYBMUJFWSA-N 1 0 382.514 4.423 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530234 822651871 /nfs/dbraw/zinc/65/18/71/822651871.db2.gz LMPCYQHDOFPCRJ-FOIQADDNSA-N 1 0 391.437 4.389 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180293639 822657691 /nfs/dbraw/zinc/65/76/91/822657691.db2.gz ZIBSESYOPNAQAK-UHFFFAOYSA-N 1 0 391.475 4.052 20 30 GIEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCN2C2CC2)c1 ZINC000180375988 822671975 /nfs/dbraw/zinc/67/19/75/822671975.db2.gz QBVPQVHWUXLIIF-GAZXMLTASA-N 1 0 391.515 4.054 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180410990 822677323 /nfs/dbraw/zinc/67/73/23/822677323.db2.gz XYWPPZPSBSCBPV-CABCVRRESA-N 1 0 398.488 4.278 20 30 GIEDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cn1 ZINC000048749707 822681199 /nfs/dbraw/zinc/68/11/99/822681199.db2.gz QZCIXHQCKFIJKD-UHFFFAOYSA-N 1 0 375.428 4.053 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000048828531 822684926 /nfs/dbraw/zinc/68/49/26/822684926.db2.gz ZCXNPXKELSQUOV-MOPGFXCFSA-N 1 0 390.531 4.351 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000180542965 822699088 /nfs/dbraw/zinc/69/90/88/822699088.db2.gz VWLBYMQCICDQIH-JKSUJKDBSA-N 1 0 378.476 4.285 20 30 GIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700705 822706301 /nfs/dbraw/zinc/70/63/01/822706301.db2.gz IVIVGFIXZIRQHO-IBGZPJMESA-N 1 0 396.922 4.392 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184884059 822706734 /nfs/dbraw/zinc/70/67/34/822706734.db2.gz AKJNPOQIEFKLBW-UHFFFAOYSA-N 1 0 378.520 4.049 20 30 GIEDRO CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455706818 822708469 /nfs/dbraw/zinc/70/84/69/822708469.db2.gz QTUVKKOUBGKUKK-GOSISDBHSA-N 1 0 382.895 4.144 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775441 822724434 /nfs/dbraw/zinc/72/44/34/822724434.db2.gz DEANLPXIRWIGAR-OAHLLOKOSA-N 1 0 389.931 4.115 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185201376 822748862 /nfs/dbraw/zinc/74/88/62/822748862.db2.gz OINACRJWWMCZQU-NVXWUHKLSA-N 1 0 389.421 4.365 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455921420 822749893 /nfs/dbraw/zinc/74/98/93/822749893.db2.gz OTJLIZXCUVGFRC-AVRDEDQJSA-N 1 0 376.504 4.269 20 30 GIEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000455951462 822756863 /nfs/dbraw/zinc/75/68/63/822756863.db2.gz ZRDHQWHCYVVQAC-UHFFFAOYSA-N 1 0 380.517 4.269 20 30 GIEDRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(F)cc2C1 ZINC000185355525 822770325 /nfs/dbraw/zinc/77/03/25/822770325.db2.gz MRBUIGOQJNWKDQ-QHCPKHFHSA-N 1 0 395.478 4.091 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366471 822778658 /nfs/dbraw/zinc/77/86/58/822778658.db2.gz YPDFPYSDVOLUQQ-QZTJIDSGSA-N 1 0 394.544 4.188 20 30 GIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174527178 822801360 /nfs/dbraw/zinc/80/13/60/822801360.db2.gz SGPRPBOCUUGOQG-KRWDZBQOSA-N 1 0 382.895 4.197 20 30 GIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000185634902 822804702 /nfs/dbraw/zinc/80/47/02/822804702.db2.gz FNWGQNWPCLEJIQ-ZDUSSCGKSA-N 1 0 380.414 4.054 20 30 GIEDRO CSC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000174563122 822805492 /nfs/dbraw/zinc/80/54/92/822805492.db2.gz GDOHLBOXLAJRFE-UHFFFAOYSA-N 1 0 382.529 4.139 20 30 GIEDRO CN(C)c1ccc(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000174564424 822805608 /nfs/dbraw/zinc/80/56/08/822805608.db2.gz RHBZQBFSEZPCJB-UHFFFAOYSA-N 1 0 392.547 4.194 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)oc21 ZINC000052712346 822808251 /nfs/dbraw/zinc/80/82/51/822808251.db2.gz HSMJHZGWLXSEPN-HUUCEWRRSA-N 1 0 377.444 4.381 20 30 GIEDRO COc1ccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)cc1OCCCC#N ZINC000185747505 822817294 /nfs/dbraw/zinc/81/72/94/822817294.db2.gz PDUMUUIMCCUMQM-UHFFFAOYSA-N 1 0 395.478 4.341 20 30 GIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000174681565 822822571 /nfs/dbraw/zinc/82/25/71/822822571.db2.gz BOAYRNWMDVDHMM-UHFFFAOYSA-N 1 0 397.332 4.223 20 30 GIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000185807735 822823037 /nfs/dbraw/zinc/82/30/37/822823037.db2.gz DQNLZFVIIVPUOZ-CRAIPNDOSA-N 1 0 377.326 4.169 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000185979405 822840483 /nfs/dbraw/zinc/84/04/83/822840483.db2.gz RTWPXNDHOOSYTG-CYBMUJFWSA-N 1 0 382.411 4.103 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286972 822870951 /nfs/dbraw/zinc/87/09/51/822870951.db2.gz SLLOBLRTWPUTDQ-HXUWFJFHSA-N 1 0 376.504 4.209 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Cl ZINC000457470644 822878170 /nfs/dbraw/zinc/87/81/70/822878170.db2.gz DTIRKXKFIPOTRM-BXWFABGCSA-N 1 0 376.932 4.104 20 30 GIEDRO Cn1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000186433369 822894484 /nfs/dbraw/zinc/89/44/84/822894484.db2.gz DLLHPSQIQQTTLV-LJQANCHMSA-N 1 0 384.405 4.394 20 30 GIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000186452005 822897864 /nfs/dbraw/zinc/89/78/64/822897864.db2.gz QJINOMBYUDOEQE-ORAYPTAESA-N 1 0 380.460 4.304 20 30 GIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386112 822914361 /nfs/dbraw/zinc/91/43/61/822914361.db2.gz SFWPLMSDJCADNE-FGZHOGPDSA-N 1 0 384.483 4.202 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000055009787 822930525 /nfs/dbraw/zinc/93/05/25/822930525.db2.gz UBHRPZHZYRKCLT-UHFFFAOYSA-O 1 0 393.576 4.278 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000055009707 822930545 /nfs/dbraw/zinc/93/05/45/822930545.db2.gz WLMKZPZFMQUNPX-UHFFFAOYSA-O 1 0 389.491 4.068 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc(OCC)cc2)C(=S)NC(C)C)cc1 ZINC000055009766 822930556 /nfs/dbraw/zinc/93/05/56/822930556.db2.gz QVKHFONFLFPYDF-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000055011159 822930781 /nfs/dbraw/zinc/93/07/81/822930781.db2.gz VVNBAYQXKQAQJF-UHFFFAOYSA-O 1 0 389.544 4.422 20 30 GIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 ZINC000186697577 822939778 /nfs/dbraw/zinc/93/97/78/822939778.db2.gz CFQPCHRJPVZCRD-QHCPKHFHSA-N 1 0 391.515 4.035 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000175378004 822951735 /nfs/dbraw/zinc/95/17/35/822951735.db2.gz CEGQBLRFGLMDPC-UHFFFAOYSA-O 1 0 385.528 4.434 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)NC1CCCCC1 ZINC000186961492 822987900 /nfs/dbraw/zinc/98/79/00/822987900.db2.gz FKCZUNRXIRRECX-UHFFFAOYSA-O 1 0 386.541 4.002 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000186964236 822988392 /nfs/dbraw/zinc/98/83/92/822988392.db2.gz IUDFUJONOXFGCM-UHFFFAOYSA-O 1 0 392.504 4.119 20 30 GIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000570015587 822997267 /nfs/dbraw/zinc/99/72/67/822997267.db2.gz YCHKLNHGWOIRRR-OALUTQOASA-N 1 0 395.375 4.390 20 30 GIEDRO CN(c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000175658260 823014325 /nfs/dbraw/zinc/01/43/25/823014325.db2.gz MPSGCEPFXCLJER-UHFFFAOYSA-N 1 0 394.544 4.085 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(SCC#N)c1 ZINC000175708371 823024697 /nfs/dbraw/zinc/02/46/97/823024697.db2.gz CQTZBUPNKGXUHK-UHFFFAOYSA-N 1 0 397.569 4.412 20 30 GIEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175774551 823037148 /nfs/dbraw/zinc/03/71/48/823037148.db2.gz HGJGLLOQSSHZOO-JXFKEZNVSA-N 1 0 379.529 4.122 20 30 GIEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460952376 823549531 /nfs/dbraw/zinc/54/95/31/823549531.db2.gz OPRCLDXULWNKDW-GOSISDBHSA-N 1 0 385.531 4.219 20 30 GIEDRO C=CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000190223664 823552486 /nfs/dbraw/zinc/55/24/86/823552486.db2.gz FMKNBHBRBSZXHE-QHCPKHFHSA-N 1 0 378.516 4.189 20 30 GIEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000461036017 823563010 /nfs/dbraw/zinc/56/30/10/823563010.db2.gz DOLDGDLGGJHLKZ-QGZVFWFLSA-N 1 0 381.545 4.309 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CCCn2c(C)nc3ccccc32)ccc1OC ZINC000060927000 823567264 /nfs/dbraw/zinc/56/72/64/823567264.db2.gz LDPVSOWKHZCPLU-UHFFFAOYSA-N 1 0 379.504 4.488 20 30 GIEDRO COc1ccc(NC(=O)C2([NH2+]CCC3(C#N)CCCCC3)CCCC2)cc1OC ZINC000411384039 823568247 /nfs/dbraw/zinc/56/82/47/823568247.db2.gz FLHXCYYPGCAQOX-UHFFFAOYSA-N 1 0 399.535 4.409 20 30 GIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124137192 823570876 /nfs/dbraw/zinc/57/08/76/823570876.db2.gz JVJHXIYZFOFJLE-FQEVSTJZSA-N 1 0 393.535 4.067 20 30 GIEDRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411413258 823571388 /nfs/dbraw/zinc/57/13/88/823571388.db2.gz CVIUZFHIRPHMHK-HUUCEWRRSA-N 1 0 382.533 4.161 20 30 GIEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000061001642 823572149 /nfs/dbraw/zinc/57/21/49/823572149.db2.gz JBUYAISESBMWPA-UHFFFAOYSA-N 1 0 375.925 4.144 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](Cc3ccccn3)C3CC3)sc2C1 ZINC000411456837 823576806 /nfs/dbraw/zinc/57/68/06/823576806.db2.gz ZVVBGSMULKSNTK-OAHLLOKOSA-N 1 0 394.544 4.133 20 30 GIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1OC(F)F ZINC000411457429 823576865 /nfs/dbraw/zinc/57/68/65/823576865.db2.gz WDHYKLCHWYZSIH-CABCVRRESA-N 1 0 391.443 4.067 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000411471458 823578779 /nfs/dbraw/zinc/57/87/79/823578779.db2.gz FGBZZUYRMDUXDO-ZDUSSCGKSA-N 1 0 377.366 4.136 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000411475350 823579217 /nfs/dbraw/zinc/57/92/17/823579217.db2.gz NAEIGBAOLNRNCS-IERDGZPVSA-N 1 0 397.906 4.298 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000411477444 823579387 /nfs/dbraw/zinc/57/93/87/823579387.db2.gz RWCXVLNRACWDME-HNNXBMFYSA-N 1 0 381.451 4.166 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000411477445 823579474 /nfs/dbraw/zinc/57/94/74/823579474.db2.gz RWCXVLNRACWDME-OAHLLOKOSA-N 1 0 381.451 4.166 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](c3cccnc3)C3CC3)sc2C1 ZINC000411508538 823582468 /nfs/dbraw/zinc/58/24/68/823582468.db2.gz UYXCRRGJEKAPID-SZNDQCEHSA-N 1 0 394.544 4.209 20 30 GIEDRO C=CCOc1cccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000061193078 823583401 /nfs/dbraw/zinc/58/34/01/823583401.db2.gz AVIZVZVKWFOTAT-UHFFFAOYSA-N 1 0 379.504 4.034 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517598 823583825 /nfs/dbraw/zinc/58/38/25/823583825.db2.gz GHTWGAUWJGMVNR-SUMWQHHRSA-N 1 0 395.484 4.139 20 30 GIEDRO CC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000190547620 823585218 /nfs/dbraw/zinc/58/52/18/823585218.db2.gz XSZFSJIJCFWNJX-HXUWFJFHSA-N 1 0 381.907 4.323 20 30 GIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411560739 823588146 /nfs/dbraw/zinc/58/81/46/823588146.db2.gz PPOSOTKXDSLJIG-WBVHZDCISA-N 1 0 377.579 4.091 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(Br)s1 ZINC000411619468 823591432 /nfs/dbraw/zinc/59/14/32/823591432.db2.gz OZFUHEQFBAIYDY-LLVKDONJSA-N 1 0 378.295 4.062 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-c2ccccc2)o1 ZINC000190612244 823591510 /nfs/dbraw/zinc/59/15/10/823591510.db2.gz VDMWLYRMTSNNHJ-UTKZUKDTSA-N 1 0 385.467 4.270 20 30 GIEDRO Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2cc1C ZINC000190611693 823591671 /nfs/dbraw/zinc/59/16/71/823591671.db2.gz DFCDJMHATQUQOP-LAUBAEHRSA-N 1 0 387.483 4.373 20 30 GIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1F ZINC000190628664 823593457 /nfs/dbraw/zinc/59/34/57/823593457.db2.gz QMJFMWMDIZKZHI-MOPGFXCFSA-N 1 0 385.870 4.193 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630539 823593579 /nfs/dbraw/zinc/59/35/79/823593579.db2.gz RCRDISLZIPJBHI-KOSHJBKYSA-N 1 0 396.494 4.072 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630519 823593590 /nfs/dbraw/zinc/59/35/90/823593590.db2.gz RCRDISLZIPJBHI-UUOWRZLLSA-N 1 0 396.494 4.072 20 30 GIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Br)c(Br)c2)cc1 ZINC000124523968 823603345 /nfs/dbraw/zinc/60/33/45/823603345.db2.gz WSNYUIWNXBAUJV-UHFFFAOYSA-N 1 0 380.083 4.373 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000461257085 823606171 /nfs/dbraw/zinc/60/61/71/823606171.db2.gz LBMFAJJMWLCQBV-JOCHJYFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000461257086 823606226 /nfs/dbraw/zinc/60/62/26/823606226.db2.gz LBMFAJJMWLCQBV-QFIPXVFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000461258807 823606512 /nfs/dbraw/zinc/60/65/12/823606512.db2.gz RKELAIBFWSSLRW-JOCHJYFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124704411 823619133 /nfs/dbraw/zinc/61/91/33/823619133.db2.gz GQUULRKHXABXJY-HXUWFJFHSA-N 1 0 391.515 4.463 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412015015 823622908 /nfs/dbraw/zinc/62/29/08/823622908.db2.gz RQONKVNKRNOJTH-HXUWFJFHSA-N 1 0 397.544 4.222 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000412194746 823634518 /nfs/dbraw/zinc/63/45/18/823634518.db2.gz ONLXPPUPKFWUPG-RCTAOEEJSA-N 1 0 399.538 4.175 20 30 GIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000062474437 823637130 /nfs/dbraw/zinc/63/71/30/823637130.db2.gz ANWJGEDCNRQLEJ-NRFANRHFSA-N 1 0 381.520 4.247 20 30 GIEDRO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297531 823660663 /nfs/dbraw/zinc/66/06/63/823660663.db2.gz URPUEXVZLMNLBT-UHFFFAOYSA-N 1 0 384.461 4.327 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)ccc1OC ZINC000191363630 823676800 /nfs/dbraw/zinc/67/68/00/823676800.db2.gz ZGPCIQHJLHWGRH-CRAIPNDOSA-N 1 0 384.524 4.487 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000063506799 823676920 /nfs/dbraw/zinc/67/69/20/823676920.db2.gz SJZDGCVYXGEOTB-MRXNPFEDSA-N 1 0 380.448 4.187 20 30 GIEDRO CC(C)COc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000125496753 823680831 /nfs/dbraw/zinc/68/08/31/823680831.db2.gz SZIASBGLSUCVSR-UHFFFAOYSA-N 1 0 394.519 4.189 20 30 GIEDRO Cc1noc(C2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000191459858 823687635 /nfs/dbraw/zinc/68/76/35/823687635.db2.gz JJCFWRKIXSQTSU-UHFFFAOYSA-N 1 0 386.499 4.457 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000191465792 823688304 /nfs/dbraw/zinc/68/83/04/823688304.db2.gz IJMGCUCPEMIFEP-UHFFFAOYSA-N 1 0 386.584 4.076 20 30 GIEDRO C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc(C#N)c1 ZINC000461742410 823690439 /nfs/dbraw/zinc/69/04/39/823690439.db2.gz YDYHVCZREPZQTL-LJQANCHMSA-N 1 0 383.495 4.159 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000191495150 823691235 /nfs/dbraw/zinc/69/12/35/823691235.db2.gz OMPWNUBLGURXBX-UHFFFAOYSA-N 1 0 398.595 4.219 20 30 GIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000574320662 823702255 /nfs/dbraw/zinc/70/22/55/823702255.db2.gz WKQUKPHOBGIESC-DUXPYHPUSA-N 1 0 381.426 4.200 20 30 GIEDRO CC[N@H+](CC(=O)NCc1ccc(COC(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125748276 823703615 /nfs/dbraw/zinc/70/36/15/823703615.db2.gz KUGIBCMKWFFHSJ-IBGZPJMESA-N 1 0 393.531 4.183 20 30 GIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000163407005 823707187 /nfs/dbraw/zinc/70/71/87/823707187.db2.gz GPDLLGOIGNTKOX-UHFFFAOYSA-N 1 0 377.488 4.259 20 30 GIEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000574395844 823719068 /nfs/dbraw/zinc/71/90/68/823719068.db2.gz ONJCOGFHLRJEHK-DENIHFKCSA-N 1 0 382.552 4.012 20 30 GIEDRO Cc1cc(NCc2ccc(O[C@H](C)C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679740 823730966 /nfs/dbraw/zinc/73/09/66/823730966.db2.gz KPSDEVUEMBKZPI-HXUWFJFHSA-N 1 0 392.547 4.428 20 30 GIEDRO C=C(C)COc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)ccc1OC ZINC000191679704 823730988 /nfs/dbraw/zinc/73/09/88/823730988.db2.gz OEYRLYXDBJWZBY-UHFFFAOYSA-N 1 0 386.467 4.228 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000191691266 823735547 /nfs/dbraw/zinc/73/55/47/823735547.db2.gz DULNEZCHUXHJBY-UHFFFAOYSA-N 1 0 397.422 4.372 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000574482234 823742601 /nfs/dbraw/zinc/74/26/01/823742601.db2.gz JWJBGKPHDMVBHM-UHFFFAOYSA-N 1 0 396.535 4.196 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000574488496 823745554 /nfs/dbraw/zinc/74/55/54/823745554.db2.gz YPTYQZKQFFQEOP-XMMPIXPASA-N 1 0 391.563 4.224 20 30 GIEDRO C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461906416 823748661 /nfs/dbraw/zinc/74/86/61/823748661.db2.gz GZJWXRAREWQWKY-IIBYNOLFSA-N 1 0 381.907 4.268 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000461910135 823750416 /nfs/dbraw/zinc/75/04/16/823750416.db2.gz TVOPBQTVGXASRV-RTBURBONSA-N 1 0 375.516 4.210 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000462034174 823804503 /nfs/dbraw/zinc/80/45/03/823804503.db2.gz ZHQDHQAXFVOMEM-LJQANCHMSA-N 1 0 375.516 4.354 20 30 GIEDRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000191894230 823805622 /nfs/dbraw/zinc/80/56/22/823805622.db2.gz QKBZKZOFMFNVMA-UHFFFAOYSA-N 1 0 380.250 4.465 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000574804078 823831862 /nfs/dbraw/zinc/83/18/62/823831862.db2.gz QDXXMUGWMFOJKT-SESVDKBCSA-N 1 0 384.907 4.072 20 30 GIEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000574806839 823832651 /nfs/dbraw/zinc/83/26/51/823832651.db2.gz XFSJKCKOHSYZCW-UHFFFAOYSA-N 1 0 377.879 4.231 20 30 GIEDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462122508 823835973 /nfs/dbraw/zinc/83/59/73/823835973.db2.gz KQXVGOWOLNQVSC-MSYCTHLASA-N 1 0 375.516 4.173 20 30 GIEDRO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000462134212 823840283 /nfs/dbraw/zinc/84/02/83/823840283.db2.gz XQWPMOCHRLUAHA-SFHVURJKSA-N 1 0 377.488 4.084 20 30 GIEDRO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000462134211 823840379 /nfs/dbraw/zinc/84/03/79/823840379.db2.gz XQWPMOCHRLUAHA-GOSISDBHSA-N 1 0 377.488 4.084 20 30 GIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCCCC#N ZINC000064614111 823852716 /nfs/dbraw/zinc/85/27/16/823852716.db2.gz YFPDGCFEHDLPQM-MRXNPFEDSA-N 1 0 393.487 4.113 20 30 GIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1ccc2c(c1)OCCO2 ZINC000064614270 823853114 /nfs/dbraw/zinc/85/31/14/823853114.db2.gz IZJXBICKEUNELK-LJQANCHMSA-N 1 0 396.487 4.390 20 30 GIEDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000064631582 823854691 /nfs/dbraw/zinc/85/46/91/823854691.db2.gz XZELMKLEAPHWGX-UHFFFAOYSA-N 1 0 377.488 4.047 20 30 GIEDRO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000575039785 823897702 /nfs/dbraw/zinc/89/77/02/823897702.db2.gz DIOJHSHXCKTCNL-AJSBUHFISA-N 1 0 392.543 4.424 20 30 GIEDRO C[NH+](C)CCN(Cc1csc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000575095631 823911058 /nfs/dbraw/zinc/91/10/58/823911058.db2.gz NCJPCKFFQNMGQH-UHFFFAOYSA-N 1 0 376.529 4.246 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2CC)cc1 ZINC000170637252 823923930 /nfs/dbraw/zinc/92/39/30/823923930.db2.gz JRYWASFYCUQNAO-UHFFFAOYSA-O 1 0 395.470 4.190 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000126752291 823942059 /nfs/dbraw/zinc/94/20/59/823942059.db2.gz BLEFZWJQLVZOSB-UHFFFAOYSA-N 1 0 386.455 4.368 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192366349 823960385 /nfs/dbraw/zinc/96/03/85/823960385.db2.gz VGYLZOYBVROGID-QAPCUYQASA-N 1 0 395.528 4.250 20 30 GIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000126874948 823971778 /nfs/dbraw/zinc/97/17/78/823971778.db2.gz IGXPKMJNDVNPCN-UHFFFAOYSA-N 1 0 376.500 4.096 20 30 GIEDRO Cc1oc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c(C#N)c1C ZINC000126927916 823982975 /nfs/dbraw/zinc/98/29/75/823982975.db2.gz SCGNMEJYAFILPK-IBGZPJMESA-N 1 0 380.492 4.137 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000127071350 824011459 /nfs/dbraw/zinc/01/14/59/824011459.db2.gz JMRVWULDTSYYEX-APWZRJJASA-N 1 0 376.928 4.260 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000127082396 824013666 /nfs/dbraw/zinc/01/36/66/824013666.db2.gz QRDQKISXUMUQAC-SBUREZEXSA-N 1 0 385.467 4.195 20 30 GIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000575909932 824026884 /nfs/dbraw/zinc/02/68/84/824026884.db2.gz IROUNUYHMPMJCQ-QFIPXVFZSA-N 1 0 377.488 4.068 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000414901647 824048113 /nfs/dbraw/zinc/04/81/13/824048113.db2.gz IXCXJIIYSUGOKH-CLCXKQKWSA-N 1 0 382.895 4.210 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000414908656 824048464 /nfs/dbraw/zinc/04/84/64/824048464.db2.gz QNDMEHCEMUCSBH-RDJZCZTQSA-N 1 0 392.837 4.099 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000414914936 824049448 /nfs/dbraw/zinc/04/94/48/824049448.db2.gz YMULREBSCDJGON-SIXWZSSISA-N 1 0 382.895 4.244 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2ccccc2)cn1 ZINC000171063846 824052847 /nfs/dbraw/zinc/05/28/47/824052847.db2.gz BITAKSHMWKBSIE-UHFFFAOYSA-O 1 0 392.504 4.045 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccc(C)cc2)cn1 ZINC000171063869 824052998 /nfs/dbraw/zinc/05/29/98/824052998.db2.gz QMUUXDUBKNQAFV-UHFFFAOYSA-O 1 0 398.533 4.107 20 30 GIEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969673 824055561 /nfs/dbraw/zinc/05/55/61/824055561.db2.gz SWDXZDLBMCALON-MRXNPFEDSA-N 1 0 384.867 4.220 20 30 GIEDRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001165054538 722007446 /nfs/dbraw/zinc/00/74/46/722007446.db2.gz PWAQSZMKJDMQBQ-UHFFFAOYSA-N 1 0 385.899 4.105 20 30 GIEDRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165054717 722007453 /nfs/dbraw/zinc/00/74/53/722007453.db2.gz ZHAAIUPCOMPVQI-UHFFFAOYSA-N 1 0 385.899 4.105 20 30 GIEDRO Cn1nc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 ZINC000187382780 823053606 /nfs/dbraw/zinc/05/36/06/823053606.db2.gz FSFORTWNFMMUOF-UHFFFAOYSA-N 1 0 396.494 4.356 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)cc1 ZINC000120861608 823078852 /nfs/dbraw/zinc/07/88/52/823078852.db2.gz FMEJYLNVGXFKSP-OAHLLOKOSA-N 1 0 378.394 4.346 20 30 GIEDRO C[NH+](C)C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855425 823098129 /nfs/dbraw/zinc/09/81/29/823098129.db2.gz YBMINXQIJYLYHG-RTWAWAEBSA-N 1 0 382.483 4.163 20 30 GIEDRO C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176073594 823112842 /nfs/dbraw/zinc/11/28/42/823112842.db2.gz LKFVYEZZXWATFM-GOSISDBHSA-N 1 0 379.529 4.039 20 30 GIEDRO C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176073606 823112857 /nfs/dbraw/zinc/11/28/57/823112857.db2.gz LKFVYEZZXWATFM-SFHVURJKSA-N 1 0 379.529 4.039 20 30 GIEDRO C=CCC1(CNC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)CCCC1 ZINC000459094590 823127371 /nfs/dbraw/zinc/12/73/71/823127371.db2.gz HJGYJRQWDMQRLV-SFHVURJKSA-N 1 0 390.597 4.051 20 30 GIEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459109290 823129046 /nfs/dbraw/zinc/12/90/46/823129046.db2.gz DVNLMNPAALWIQF-UWJYYQICSA-N 1 0 394.494 4.064 20 30 GIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187789715 823133432 /nfs/dbraw/zinc/13/34/32/823133432.db2.gz CDWWACYMAKDUMD-LJQANCHMSA-N 1 0 375.375 4.109 20 30 GIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176155044 823138015 /nfs/dbraw/zinc/13/80/15/823138015.db2.gz STIFSMSQIWEPBK-HXUWFJFHSA-N 1 0 395.547 4.094 20 30 GIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ncc(Br)cn1 ZINC000571229662 823152272 /nfs/dbraw/zinc/15/22/72/823152272.db2.gz HQKSCQMBVNJSHO-STJZUHDESA-N 1 0 385.309 4.294 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCCN3Cc3cccc(Cl)c3)n2c1 ZINC000571309982 823163664 /nfs/dbraw/zinc/16/36/64/823163664.db2.gz OMFDAQAQGJUFOZ-HXUWFJFHSA-N 1 0 393.922 4.004 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCCN3Cc3cccc(Cl)c3)n2c1 ZINC000571309977 823163702 /nfs/dbraw/zinc/16/37/02/823163702.db2.gz OMFDAQAQGJUFOZ-FQEVSTJZSA-N 1 0 393.922 4.004 20 30 GIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000571372273 823173673 /nfs/dbraw/zinc/17/36/73/823173673.db2.gz IIDCMTHKQUEISN-QHCPKHFHSA-N 1 0 387.483 4.040 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000056578732 823174267 /nfs/dbraw/zinc/17/42/67/823174267.db2.gz TXFUABKCTWHZMF-UHFFFAOYSA-N 1 0 378.476 4.266 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(C#N)cc1 ZINC000571464987 823186673 /nfs/dbraw/zinc/18/66/73/823186673.db2.gz RUYGGSOOLGYSAQ-GFCCVEGCSA-N 1 0 398.438 4.249 20 30 GIEDRO Cc1nc([C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000121501235 823195383 /nfs/dbraw/zinc/19/53/83/823195383.db2.gz BDTCMENXLXARBF-ZDUSSCGKSA-N 1 0 398.898 4.106 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188201208 823202553 /nfs/dbraw/zinc/20/25/53/823202553.db2.gz KZSZPXQASMSVTJ-IBGZPJMESA-N 1 0 387.527 4.281 20 30 GIEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCC#N)c1 ZINC000571585586 823204108 /nfs/dbraw/zinc/20/41/08/823204108.db2.gz LKNLSPIXAPONAM-PKTZIBPZSA-N 1 0 375.516 4.021 20 30 GIEDRO C=CC[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000188222198 823205684 /nfs/dbraw/zinc/20/56/84/823205684.db2.gz UMJSBQPABVKQSV-UNMCSNQZSA-N 1 0 390.527 4.451 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764272 823208962 /nfs/dbraw/zinc/20/89/62/823208962.db2.gz SPNGTSHTCYXQRL-UHFFFAOYSA-N 1 0 376.504 4.251 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459663660 823244567 /nfs/dbraw/zinc/24/45/67/823244567.db2.gz FPZJZROJFQGGSB-LJQANCHMSA-N 1 0 379.504 4.218 20 30 GIEDRO CSC1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[NH+](C)CC1 ZINC000571930234 823256126 /nfs/dbraw/zinc/25/61/26/823256126.db2.gz NQHDHOKPWUDUAC-HNNXBMFYSA-N 1 0 392.594 4.030 20 30 GIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000571999125 823267535 /nfs/dbraw/zinc/26/75/35/823267535.db2.gz NDXVPCXUEYBUOT-UHFFFAOYSA-N 1 0 388.515 4.041 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000122084614 823303873 /nfs/dbraw/zinc/30/38/73/823303873.db2.gz RRTKTOGZXHXVSD-UHFFFAOYSA-O 1 0 377.892 4.180 20 30 GIEDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000572280142 823312649 /nfs/dbraw/zinc/31/26/49/823312649.db2.gz JWUPNTLBGJFZJU-NRFANRHFSA-N 1 0 391.408 4.123 20 30 GIEDRO Cc1ccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)cc1 ZINC000013081308 818201912 /nfs/dbraw/zinc/20/19/12/818201912.db2.gz VIUJMUDPXKWBFT-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000572344990 823324935 /nfs/dbraw/zinc/32/49/35/823324935.db2.gz KBCMQDZUNCZTGC-SFHVURJKSA-N 1 0 392.551 4.171 20 30 GIEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000572387960 823331265 /nfs/dbraw/zinc/33/12/65/823331265.db2.gz CRMVVRFEPGHOFZ-JOCHJYFZSA-N 1 0 391.515 4.018 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000460270104 823335999 /nfs/dbraw/zinc/33/59/99/823335999.db2.gz TVKLOGFDKVLTMW-GOSISDBHSA-N 1 0 382.335 4.394 20 30 GIEDRO C=CCc1cc(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c(O)c(OC)c1 ZINC000016874117 818485845 /nfs/dbraw/zinc/48/58/45/818485845.db2.gz NPHBDLYQHCJVAB-FQEVSTJZSA-N 1 0 383.488 4.484 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572493756 823349298 /nfs/dbraw/zinc/34/92/98/823349298.db2.gz WYPXEUNLXXVYOC-BYICEURKSA-N 1 0 394.450 4.236 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)ccc1OC ZINC000057958975 823350449 /nfs/dbraw/zinc/35/04/49/823350449.db2.gz AGPCHNRQANIKGS-UHFFFAOYSA-N 1 0 382.504 4.304 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@H]2CCCO2)c1 ZINC000022691816 818845478 /nfs/dbraw/zinc/84/54/78/818845478.db2.gz JNUTYRFBIKVSAS-HXUWFJFHSA-O 1 0 397.564 4.113 20 30 GIEDRO O=C(c1cc(F)ccc1F)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000022696126 818846540 /nfs/dbraw/zinc/84/65/40/818846540.db2.gz NWRGZQIUTBTBAG-UHFFFAOYSA-O 1 0 387.406 4.442 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCc2ccccc2)c1 ZINC000022730730 818851901 /nfs/dbraw/zinc/85/19/01/818851901.db2.gz QYNSRNMUVRMHQR-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734121 818852559 /nfs/dbraw/zinc/85/25/59/818852559.db2.gz UQEHIYPJXSNODV-UHFFFAOYSA-O 1 0 375.517 4.032 20 30 GIEDRO COCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022792574 818861192 /nfs/dbraw/zinc/86/11/92/818861192.db2.gz BCSNYACVHYYAKE-UHFFFAOYSA-O 1 0 399.580 4.063 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022805037 818863010 /nfs/dbraw/zinc/86/30/10/818863010.db2.gz OYXYXIBQQYVBAC-UHFFFAOYSA-O 1 0 389.491 4.070 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022806123 818863174 /nfs/dbraw/zinc/86/31/74/818863174.db2.gz UUNQZMWCFJWTHG-UHFFFAOYSA-O 1 0 385.553 4.219 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177105184 823372782 /nfs/dbraw/zinc/37/27/82/823372782.db2.gz KHCSQRWRRIRYDY-WBVHZDCISA-N 1 0 377.513 4.064 20 30 GIEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122655901 823389013 /nfs/dbraw/zinc/38/90/13/823389013.db2.gz ZIBCKBLXAMXIAF-DVECYGJZSA-N 1 0 379.500 4.114 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189335633 823396271 /nfs/dbraw/zinc/39/62/71/823396271.db2.gz DLDKTVZZFPKKSK-UHFFFAOYSA-N 1 0 392.931 4.218 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000122699551 823396873 /nfs/dbraw/zinc/39/68/73/823396873.db2.gz ZHXCGNQRIYMQHH-KGLIPLIRSA-N 1 0 391.393 4.177 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000122699764 823397025 /nfs/dbraw/zinc/39/70/25/823397025.db2.gz ZHXCGNQRIYMQHH-UONOGXRCSA-N 1 0 391.393 4.177 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000122702594 823397228 /nfs/dbraw/zinc/39/72/28/823397228.db2.gz AYCXTZVKLZAMKL-KGLIPLIRSA-N 1 0 391.393 4.177 20 30 GIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000058491035 823399179 /nfs/dbraw/zinc/39/91/79/823399179.db2.gz ZVXPMLPVDTXHGG-UHFFFAOYSA-N 1 0 395.528 4.110 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000058525159 823403741 /nfs/dbraw/zinc/40/37/41/823403741.db2.gz ODCBHOFPGPPBEA-MHECFPHRSA-N 1 0 377.532 4.462 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000058535490 823405511 /nfs/dbraw/zinc/40/55/11/823405511.db2.gz XDRPBESNMSRFID-UHFFFAOYSA-N 1 0 376.504 4.306 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(-c4cccs4)s3)CC2)cc1 ZINC000122825568 823418873 /nfs/dbraw/zinc/41/88/73/823418873.db2.gz HZENMTPERQRJFK-UHFFFAOYSA-N 1 0 394.569 4.451 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(CSC(F)F)o3)CC2)cc1 ZINC000122832300 823419883 /nfs/dbraw/zinc/41/98/83/823419883.db2.gz UDQCKBAHYFRJCH-UHFFFAOYSA-N 1 0 391.487 4.315 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460555711 823430770 /nfs/dbraw/zinc/43/07/70/823430770.db2.gz QVMYJTXRMWOJNA-DEOSSOPVSA-N 1 0 391.563 4.224 20 30 GIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000573056973 823441597 /nfs/dbraw/zinc/44/15/97/823441597.db2.gz UANVRLRHYTYFHN-DEOSSOPVSA-N 1 0 383.495 4.326 20 30 GIEDRO CC(C)(C)OC(=O)N1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177398958 823453560 /nfs/dbraw/zinc/45/35/60/823453560.db2.gz IERUSBGWNCJYMB-UHFFFAOYSA-N 1 0 382.426 4.046 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(C)c(F)c1)[n+]1ccccc1 ZINC000027293493 820222365 /nfs/dbraw/zinc/22/23/65/820222365.db2.gz LMUVDVAXJZULNX-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccc2)cc1 ZINC000027305662 820223254 /nfs/dbraw/zinc/22/32/54/820223254.db2.gz WKPRRNNDGSSFGC-UHFFFAOYSA-O 1 0 375.517 4.054 20 30 GIEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000123109219 823463582 /nfs/dbraw/zinc/46/35/82/823463582.db2.gz FVPMBQXQKJWGCI-UHFFFAOYSA-N 1 0 386.971 4.332 20 30 GIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)s3)C2)c(F)c1 ZINC000573232510 823468480 /nfs/dbraw/zinc/46/84/80/823468480.db2.gz KNHTZYYSYFNPCG-ZDUSSCGKSA-N 1 0 394.313 4.280 20 30 GIEDRO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000028955062 820376914 /nfs/dbraw/zinc/37/69/14/820376914.db2.gz WKXCMALZLYZMJH-OUKQBFOZSA-N 1 0 381.479 4.069 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000029113072 820394828 /nfs/dbraw/zinc/39/48/28/820394828.db2.gz ZXXPDALDUUNWCE-HSZRJFAPSA-N 1 0 379.504 4.319 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(OCc4cccc(F)c4)cc3)n2c1 ZINC000123219593 823480619 /nfs/dbraw/zinc/48/06/19/823480619.db2.gz JRZGJJFCYMHQAC-UHFFFAOYSA-N 1 0 386.430 4.214 20 30 GIEDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccc(C#N)cc4)CC3)oc21 ZINC000189800602 823496831 /nfs/dbraw/zinc/49/68/31/823496831.db2.gz DKXPCWRCPPLFTB-UHFFFAOYSA-N 1 0 388.471 4.216 20 30 GIEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000123328647 823496984 /nfs/dbraw/zinc/49/69/84/823496984.db2.gz ORVUFABETUVWIR-IBGZPJMESA-N 1 0 381.863 4.266 20 30 GIEDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4sccc4C#N)CC3)oc21 ZINC000189811194 823499735 /nfs/dbraw/zinc/49/97/35/823499735.db2.gz CTPDEEYEAWNNAQ-UHFFFAOYSA-N 1 0 394.500 4.278 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410545201 823503316 /nfs/dbraw/zinc/50/33/16/823503316.db2.gz JUNUMUUHYOYJPR-AUSIDOKSSA-N 1 0 389.543 4.154 20 30 GIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000177625946 823503677 /nfs/dbraw/zinc/50/36/77/823503677.db2.gz NNHHCWPRCFRJIA-UHFFFAOYSA-N 1 0 389.421 4.237 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000060238694 823512776 /nfs/dbraw/zinc/51/27/76/823512776.db2.gz GUAPJCYFHJTSEM-QFIPXVFZSA-N 1 0 393.556 4.053 20 30 GIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460795060 823514460 /nfs/dbraw/zinc/51/44/60/823514460.db2.gz RJNBCTDXVQKPIW-UXHICEINSA-N 1 0 397.567 4.051 20 30 GIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000177705734 823514927 /nfs/dbraw/zinc/51/49/27/823514927.db2.gz GYGODWIIEHWATK-UHFFFAOYSA-N 1 0 377.307 4.178 20 30 GIEDRO CC1(C)CN(C(=O)c2cscc2C#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411019300 823534242 /nfs/dbraw/zinc/53/42/42/823534242.db2.gz MEXKHZGIBYCXQI-OAQYLSRUSA-N 1 0 393.556 4.383 20 30 GIEDRO N#Cc1ccc(CCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000041400089 821188151 /nfs/dbraw/zinc/18/81/51/821188151.db2.gz CQFZKDQMNLGSAN-OAQYLSRUSA-N 1 0 381.907 4.098 20 30 GIEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123786179 823540702 /nfs/dbraw/zinc/54/07/02/823540702.db2.gz XXSQRMAIOYKVQQ-OXJNMPFZSA-N 1 0 385.870 4.082 20 30 GIEDRO CCc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043156450 821370259 /nfs/dbraw/zinc/37/02/59/821370259.db2.gz GZPIIJHOGNTXQD-UHFFFAOYSA-N 1 0 376.504 4.169 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000043182202 821375315 /nfs/dbraw/zinc/37/53/15/821375315.db2.gz HNUSZKZPTFDDHH-MRXNPFEDSA-N 1 0 384.911 4.046 20 30 GIEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000180700907 821403039 /nfs/dbraw/zinc/40/30/39/821403039.db2.gz FWDHUZZTUPJWIR-INIZCTEOSA-N 1 0 385.895 4.336 20 30 GIEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771791 821446091 /nfs/dbraw/zinc/44/60/91/821446091.db2.gz UMKGUNKIZZEINU-RBBKRZOGSA-N 1 0 381.907 4.022 20 30 GIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180798018 821463874 /nfs/dbraw/zinc/46/38/74/821463874.db2.gz HNRNQFKXIOWRPC-KRWDZBQOSA-N 1 0 392.425 4.422 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000180810426 821472296 /nfs/dbraw/zinc/47/22/96/821472296.db2.gz LINQDCASAQPCMN-YJBOKZPZSA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810884 821472359 /nfs/dbraw/zinc/47/23/59/821472359.db2.gz SMIYDCOSMBKNJD-LPHOPBHVSA-N 1 0 396.487 4.388 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1OC ZINC000180813148 821474437 /nfs/dbraw/zinc/47/44/37/821474437.db2.gz BIPYGBHRBOGVAT-FOIQADDNSA-N 1 0 381.476 4.185 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)ccc1OC ZINC000180816063 821476434 /nfs/dbraw/zinc/47/64/34/821476434.db2.gz HXLLSPDMTYWDDY-PMACEKPBSA-N 1 0 380.488 4.032 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)ccc1OC ZINC000180816081 821476455 /nfs/dbraw/zinc/47/64/55/821476455.db2.gz HXLLSPDMTYWDDY-VQTJNVASSA-N 1 0 380.488 4.032 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)ccc1OC ZINC000180817229 821477158 /nfs/dbraw/zinc/47/71/58/821477158.db2.gz KCEJNAVZQMAIAG-YLJYHZDGSA-N 1 0 396.487 4.388 20 30 GIEDRO N#Cc1ccc(CSc2ccccc2C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000043963882 821496251 /nfs/dbraw/zinc/49/62/51/821496251.db2.gz YDYUQGWTLJOWJR-UHFFFAOYSA-N 1 0 391.540 4.207 20 30 GIEDRO C[C@H](CCO)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000180984280 821574137 /nfs/dbraw/zinc/57/41/37/821574137.db2.gz RDCQRNOETSUYCY-LJQANCHMSA-N 1 0 389.499 4.011 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1 ZINC000181072853 821619250 /nfs/dbraw/zinc/61/92/50/821619250.db2.gz FZIZVAHHJAZOBK-MRXNPFEDSA-N 1 0 376.884 4.190 20 30 GIEDRO N#CCCCOc1cccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181120060 821645324 /nfs/dbraw/zinc/64/53/24/821645324.db2.gz ZOQVVFHUROTSSG-UHFFFAOYSA-N 1 0 392.425 4.422 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000181537211 821872028 /nfs/dbraw/zinc/87/20/28/821872028.db2.gz KIXBYWDBNOULJM-INIZCTEOSA-N 1 0 385.458 4.182 20 30 GIEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000181538117 821872326 /nfs/dbraw/zinc/87/23/26/821872326.db2.gz OSLAODJHVGPSFP-XXBNENTESA-N 1 0 393.531 4.475 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181574639 821885745 /nfs/dbraw/zinc/88/57/45/821885745.db2.gz IZYQFHLMMIPOOO-NOZRDPDXSA-N 1 0 389.543 4.280 20 30 GIEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000181585975 821890802 /nfs/dbraw/zinc/89/08/02/821890802.db2.gz XTFOVRQKQDHVBC-UHFFFAOYSA-N 1 0 388.515 4.024 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181589751 821892876 /nfs/dbraw/zinc/89/28/76/821892876.db2.gz MPNKUDLJJRANIJ-KGLIPLIRSA-N 1 0 399.466 4.374 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000181610236 821902268 /nfs/dbraw/zinc/90/22/68/821902268.db2.gz HJKIUROBAFFVIE-RYUDHWBXSA-N 1 0 379.382 4.465 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000181612684 821903942 /nfs/dbraw/zinc/90/39/42/821903942.db2.gz JSJOIKNADDDHEB-LJQANCHMSA-N 1 0 379.500 4.245 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1 ZINC000181622743 821908095 /nfs/dbraw/zinc/90/80/95/821908095.db2.gz CMJKIEIVMZPCDX-ZEQRLZLVSA-N 1 0 375.516 4.033 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1 ZINC000181622803 821908251 /nfs/dbraw/zinc/90/82/51/821908251.db2.gz CMJKIEIVMZPCDX-DNQXCXABSA-N 1 0 375.516 4.033 20 30 GIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663354 821930620 /nfs/dbraw/zinc/93/06/20/821930620.db2.gz QKTXRKZJHPHHFM-JXFKEZNVSA-N 1 0 397.544 4.055 20 30 GIEDRO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Nc1ccccc1 ZINC000181719394 821959723 /nfs/dbraw/zinc/95/97/23/821959723.db2.gz HULMSCMLTQBTHI-XMMPIXPASA-N 1 0 376.548 4.249 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181734753 821968180 /nfs/dbraw/zinc/96/81/80/821968180.db2.gz SYCWUPYIHDRETP-FUHWJXTLSA-N 1 0 385.458 4.182 20 30 GIEDRO COc1cc(F)c([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181752472 821977307 /nfs/dbraw/zinc/97/73/07/821977307.db2.gz ZPQBHEIXMOIXOP-INIZCTEOSA-N 1 0 397.494 4.030 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(OCC#N)cc1 ZINC000181765802 821983585 /nfs/dbraw/zinc/98/35/85/821983585.db2.gz GYWWPMUQTYQWNO-WBVHZDCISA-N 1 0 387.430 4.120 20 30 GIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805905 822000242 /nfs/dbraw/zinc/00/02/42/822000242.db2.gz ZTQUNYBFUCOKRP-UGSOOPFHSA-N 1 0 383.517 4.185 20 30 GIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805949 822000437 /nfs/dbraw/zinc/00/04/37/822000437.db2.gz ZTQUNYBFUCOKRP-ACJLOTCBSA-N 1 0 383.517 4.185 20 30 GIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845551 822015415 /nfs/dbraw/zinc/01/54/15/822015415.db2.gz JUSMSUDRXMHUIP-MDOVXXIYSA-N 1 0 379.460 4.110 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(Br)c1 ZINC000181932800 822039287 /nfs/dbraw/zinc/03/92/87/822039287.db2.gz UBRHUTNNCVLKIU-ZDUSSCGKSA-N 1 0 375.266 4.211 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955933 822045250 /nfs/dbraw/zinc/04/52/50/822045250.db2.gz MKIOXXNJODGNCG-VQIMIIECSA-N 1 0 379.460 4.129 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cc1Br ZINC000182083934 822086723 /nfs/dbraw/zinc/08/67/23/822086723.db2.gz ZWKCZPKTRDLXFK-GFCCVEGCSA-N 1 0 375.266 4.189 20 30 GIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182098549 822093036 /nfs/dbraw/zinc/09/30/36/822093036.db2.gz FJRZBKBBBICKKT-MRXNPFEDSA-N 1 0 388.558 4.183 20 30 GIEDRO CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000182515907 822277712 /nfs/dbraw/zinc/27/77/12/822277712.db2.gz SULYSIACWXRFRF-UHFFFAOYSA-N 1 0 398.894 4.010 20 30 GIEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000182567048 822305980 /nfs/dbraw/zinc/30/59/80/822305980.db2.gz VJZRNAQLTPHBTQ-LJQANCHMSA-N 1 0 378.520 4.212 20 30 GIEDRO O=C1[C@H]([n+]2ccc3c(c2)CCCC3)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000182700538 822354720 /nfs/dbraw/zinc/35/47/20/822354720.db2.gz ZGHLOGFYPAKGMF-HXUWFJFHSA-N 1 0 389.441 4.235 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1 ZINC000178302780 822365281 /nfs/dbraw/zinc/36/52/81/822365281.db2.gz MUOWXDGZVCEBJY-MRXNPFEDSA-N 1 0 393.936 4.213 20 30 GIEDRO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453465124 822369936 /nfs/dbraw/zinc/36/99/36/822369936.db2.gz MKYYSUJLGQXJOW-HXUWFJFHSA-N 1 0 389.588 4.044 20 30 GIEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000045405214 822385242 /nfs/dbraw/zinc/38/52/42/822385242.db2.gz KMKHLAQFYGUPOM-NRFANRHFSA-N 1 0 398.938 4.436 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432911 822387426 /nfs/dbraw/zinc/38/74/26/822387426.db2.gz JROZZKGXVZLEOX-QGZVFWFLSA-N 1 0 395.469 4.011 20 30 GIEDRO CC(C)(CCC#N)C[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000453578992 822387493 /nfs/dbraw/zinc/38/74/93/822387493.db2.gz WBFONGAGOCLYAC-UHFFFAOYSA-N 1 0 388.987 4.256 20 30 GIEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000453599241 822391055 /nfs/dbraw/zinc/39/10/55/822391055.db2.gz AEXPBXIBPRHZPZ-HSZRJFAPSA-N 1 0 394.519 4.017 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(C(C)(C)C)cs2)c1 ZINC000178569482 822392712 /nfs/dbraw/zinc/39/27/12/822392712.db2.gz GMYBQGNZMXPOMA-UHFFFAOYSA-N 1 0 376.526 4.165 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000182962057 822400558 /nfs/dbraw/zinc/40/05/58/822400558.db2.gz OHWIEKBZMMDVAS-HXUWFJFHSA-N 1 0 389.499 4.441 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000045780742 822413014 /nfs/dbraw/zinc/41/30/14/822413014.db2.gz QDVFCSOZKAKRDQ-LJQANCHMSA-N 1 0 390.531 4.274 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111512 822425855 /nfs/dbraw/zinc/42/58/55/822425855.db2.gz CSDIYQPCNYVNQG-KOSHJBKYSA-N 1 0 396.494 4.466 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226441 822452500 /nfs/dbraw/zinc/45/25/00/822452500.db2.gz CVZBJDKFXCLNMN-OAQYLSRUSA-N 1 0 396.922 4.190 20 30 GIEDRO Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000046600853 822490561 /nfs/dbraw/zinc/49/05/61/822490561.db2.gz SDNUMHBEIQFCQO-MRXNPFEDSA-N 1 0 384.549 4.071 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000454535370 822492837 /nfs/dbraw/zinc/49/28/37/822492837.db2.gz ADBYEGZZRAVIPY-HNNXBMFYSA-N 1 0 384.867 4.077 20 30 GIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594325 822509208 /nfs/dbraw/zinc/50/92/08/822509208.db2.gz VBXBKYRQNYSKTA-OGQIYBCISA-N 1 0 379.504 4.434 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183727870 822517414 /nfs/dbraw/zinc/51/74/14/822517414.db2.gz JGDORNITJQOJJO-HNAYVOBHSA-N 1 0 393.512 4.081 20 30 GIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179723922 822535566 /nfs/dbraw/zinc/53/55/66/822535566.db2.gz SMMQOCQTNSKTJX-BLLLJJGKSA-N 1 0 391.418 4.437 20 30 GIEDRO COc1ccccc1COC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000179749245 822542166 /nfs/dbraw/zinc/54/21/66/822542166.db2.gz ZQDBOIFMNJYQKU-UHFFFAOYSA-N 1 0 380.488 4.017 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000179794152 822554215 /nfs/dbraw/zinc/55/42/15/822554215.db2.gz KDTJTEGGTAHYCX-HKUYNNGSSA-N 1 0 390.487 4.359 20 30 GIEDRO Cn1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000179883429 822571132 /nfs/dbraw/zinc/57/11/32/822571132.db2.gz LJCWUEBYGFHSQM-UHFFFAOYSA-N 1 0 382.414 4.192 20 30 GIEDRO Cn1cc(C[N@H+](C)Cc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000179884150 822571460 /nfs/dbraw/zinc/57/14/60/822571460.db2.gz FHRUHHNRAFFKCB-UHFFFAOYSA-N 1 0 395.304 4.353 20 30 GIEDRO Cn1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179900160 822573552 /nfs/dbraw/zinc/57/35/52/822573552.db2.gz BSBZEVADGDBRJO-UHFFFAOYSA-N 1 0 384.483 4.054 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179917171 822576699 /nfs/dbraw/zinc/57/66/99/822576699.db2.gz PQKZNNXVWSLTBG-LJQANCHMSA-N 1 0 397.482 4.480 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c(C#N)c1C ZINC000179998492 822593107 /nfs/dbraw/zinc/59/31/07/822593107.db2.gz KVECWBUDLAMTRP-UHFFFAOYSA-N 1 0 391.393 4.394 20 30 GIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028671 822600458 /nfs/dbraw/zinc/60/04/58/822600458.db2.gz XUNSOPCAXWMIJG-FOIQADDNSA-N 1 0 377.488 4.448 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(Br)c3)CC2)cc1 ZINC000047698393 822600612 /nfs/dbraw/zinc/60/06/12/822600612.db2.gz XKALNZGLJIQFKX-UHFFFAOYSA-N 1 0 390.350 4.090 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180033030 822601379 /nfs/dbraw/zinc/60/13/79/822601379.db2.gz VYHHBWXRMMPHER-ROUUACIJSA-N 1 0 392.503 4.325 20 30 GIEDRO N#CC1(c2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)cc2)CC1 ZINC000180064007 822607151 /nfs/dbraw/zinc/60/71/51/822607151.db2.gz JZFFSAQMRPSZCQ-UHFFFAOYSA-N 1 0 377.513 4.043 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000180073641 822609990 /nfs/dbraw/zinc/60/99/90/822609990.db2.gz NSUCFSJVMZNVNU-GOSISDBHSA-N 1 0 392.503 4.106 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 ZINC000184329007 822616098 /nfs/dbraw/zinc/61/60/98/822616098.db2.gz MTGWZCKYZFCARO-JKSUJKDBSA-N 1 0 383.492 4.132 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c3ccccc3)c(C)c2c1 ZINC000184332574 822617115 /nfs/dbraw/zinc/61/71/15/822617115.db2.gz UMGIWGZIBJACNA-QGZVFWFLSA-N 1 0 391.471 4.347 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000184541164 822654166 /nfs/dbraw/zinc/65/41/66/822654166.db2.gz BLUDBSDXWKUDJC-BTYIYWSLSA-N 1 0 384.549 4.132 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000184541199 822654197 /nfs/dbraw/zinc/65/41/97/822654197.db2.gz BLUDBSDXWKUDJC-YCRPNKLZSA-N 1 0 384.549 4.132 20 30 GIEDRO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc2c1OCCO2 ZINC000180335872 822665412 /nfs/dbraw/zinc/66/54/12/822665412.db2.gz MRDJUQWCEJBCBT-UHFFFAOYSA-N 1 0 386.451 4.295 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(-c2cccnc2)n1 ZINC000180334965 822665431 /nfs/dbraw/zinc/66/54/31/822665431.db2.gz LIVHRPGPEIZDTO-UHFFFAOYSA-N 1 0 379.467 4.311 20 30 GIEDRO N#Cc1cccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000048779209 822682654 /nfs/dbraw/zinc/68/26/54/822682654.db2.gz JVWVKGRFVJZITD-UHFFFAOYSA-N 1 0 385.305 4.159 20 30 GIEDRO C=CCOc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180443180 822683013 /nfs/dbraw/zinc/68/30/13/822683013.db2.gz WBVSLDNYGCGGEM-UHFFFAOYSA-N 1 0 379.504 4.025 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455673958 822697229 /nfs/dbraw/zinc/69/72/29/822697229.db2.gz YQLVQDXCNCAFBM-DENIHFKCSA-N 1 0 381.564 4.240 20 30 GIEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000184844308 822698958 /nfs/dbraw/zinc/69/89/58/822698958.db2.gz SOWRWTKTOMUVNH-NRFANRHFSA-N 1 0 381.545 4.189 20 30 GIEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455707544 822708675 /nfs/dbraw/zinc/70/86/75/822708675.db2.gz RYVXFVCTXPMXNJ-UHFFFAOYSA-N 1 0 398.938 4.434 20 30 GIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccccc2)n1 ZINC000180601424 822709259 /nfs/dbraw/zinc/70/92/59/822709259.db2.gz LJRWQGCBUSNJTO-RTWAWAEBSA-N 1 0 390.487 4.145 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050059409 822716672 /nfs/dbraw/zinc/71/66/72/822716672.db2.gz UDPSPHZWKJNTMT-QGZVFWFLSA-N 1 0 398.532 4.052 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000455734243 822716744 /nfs/dbraw/zinc/71/67/44/822716744.db2.gz OPUFZKBDGCKBBE-QGZVFWFLSA-N 1 0 396.922 4.392 20 30 GIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)cc1 ZINC000455735230 822716913 /nfs/dbraw/zinc/71/69/13/822716913.db2.gz QEBSKCSJGJTDBA-GOSISDBHSA-N 1 0 391.302 4.484 20 30 GIEDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000184998212 822723595 /nfs/dbraw/zinc/72/35/95/822723595.db2.gz FAPACOSTXMRZEI-CYBMUJFWSA-N 1 0 388.562 4.333 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C1 ZINC000455911051 822747477 /nfs/dbraw/zinc/74/74/77/822747477.db2.gz DJBBDLFXIGAKBD-SFHVURJKSA-N 1 0 376.504 4.306 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C1 ZINC000455911050 822747539 /nfs/dbraw/zinc/74/75/39/822747539.db2.gz DJBBDLFXIGAKBD-GOSISDBHSA-N 1 0 376.504 4.306 20 30 GIEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000455911852 822747668 /nfs/dbraw/zinc/74/76/68/822747668.db2.gz WTGGTTUYANWVQH-WIYYLYMNSA-N 1 0 376.504 4.175 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CC#N)c1 ZINC000455912334 822747880 /nfs/dbraw/zinc/74/78/80/822747880.db2.gz XJBZQZCZTHSLBR-NRFANRHFSA-N 1 0 376.504 4.175 20 30 GIEDRO N#CCc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000455923723 822750225 /nfs/dbraw/zinc/75/02/25/822750225.db2.gz UMVGKSNFYRPWDJ-UHFFFAOYSA-N 1 0 396.922 4.440 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374829 822780332 /nfs/dbraw/zinc/78/03/32/822780332.db2.gz CCFGNHZKLRVNSI-GJZGRUSLSA-N 1 0 393.878 4.075 20 30 GIEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000185477565 822788648 /nfs/dbraw/zinc/78/86/48/822788648.db2.gz UNKIIWYIMBKRQL-RXVVDRJESA-N 1 0 394.519 4.256 20 30 GIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1OCCCC#N ZINC000174435821 822789774 /nfs/dbraw/zinc/78/97/74/822789774.db2.gz FSGAAQQSBJIFHV-SFHVURJKSA-N 1 0 390.487 4.414 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000174460882 822793231 /nfs/dbraw/zinc/79/32/31/822793231.db2.gz QXMSKLQLPYUVQR-LBPRGKRZSA-N 1 0 399.800 4.213 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(CC)CC)cc1 ZINC000185571790 822797892 /nfs/dbraw/zinc/79/78/92/822797892.db2.gz FAFBDUWZBNEIBH-UHFFFAOYSA-O 1 0 392.548 4.464 20 30 GIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000185807696 822823115 /nfs/dbraw/zinc/82/31/15/822823115.db2.gz DQNLZFVIIVPUOZ-MAUKXSAKSA-N 1 0 377.326 4.169 20 30 GIEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000185885334 822830103 /nfs/dbraw/zinc/83/01/03/822830103.db2.gz JSOAUXDRFPPMNU-JXHRLWIKSA-N 1 0 396.556 4.468 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000185955748 822836994 /nfs/dbraw/zinc/83/69/94/822836994.db2.gz OKHOVRQUAYEYMO-JTQLQIEISA-N 1 0 388.440 4.165 20 30 GIEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000174870110 822849046 /nfs/dbraw/zinc/84/90/46/822849046.db2.gz SOYLXXVOYKZQTJ-UHFFFAOYSA-N 1 0 386.540 4.397 20 30 GIEDRO C=CCC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083888 822850097 /nfs/dbraw/zinc/85/00/97/822850097.db2.gz ZKKIRHHXDUYHSU-JLTOFOAXSA-N 1 0 379.472 4.402 20 30 GIEDRO COc1cccc(C([NH2+]Cc2ccc(OC)c(C#N)c2)c2cccc(OC)c2)c1 ZINC000174928989 822857341 /nfs/dbraw/zinc/85/73/41/822857341.db2.gz JLJWXNCPOJPHJH-UHFFFAOYSA-N 1 0 388.467 4.463 20 30 GIEDRO N#Cc1ccc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000457197772 822860357 /nfs/dbraw/zinc/86/03/57/822860357.db2.gz VWUMNGMSHFGIMD-JOCHJYFZSA-N 1 0 391.515 4.448 20 30 GIEDRO C[N@H+](CCCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000457212068 822860852 /nfs/dbraw/zinc/86/08/52/822860852.db2.gz WXFDOJWAOQHXDY-UHFFFAOYSA-N 1 0 381.451 4.094 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000569249827 822896375 /nfs/dbraw/zinc/89/63/75/822896375.db2.gz GOELJIDXOFVURH-UHFFFAOYSA-N 1 0 378.925 4.170 20 30 GIEDRO COc1cc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)ccc1C#N ZINC000569277916 822900524 /nfs/dbraw/zinc/90/05/24/822900524.db2.gz MTCVQISJKHFCDR-UHFFFAOYSA-N 1 0 387.886 4.114 20 30 GIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000569337023 822908958 /nfs/dbraw/zinc/90/89/58/822908958.db2.gz YJCPVXRPZTWDMR-YLJYHZDGSA-N 1 0 379.479 4.177 20 30 GIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386111 822914379 /nfs/dbraw/zinc/91/43/79/822914379.db2.gz SFWPLMSDJCADNE-FCHUYYIVSA-N 1 0 384.483 4.202 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000055009609 822930550 /nfs/dbraw/zinc/93/05/50/822930550.db2.gz GDNUDPQRPFGFNC-UHFFFAOYSA-O 1 0 381.565 4.407 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCCc2ccccc2)c1 ZINC000055012568 822931007 /nfs/dbraw/zinc/93/10/07/822931007.db2.gz XEIDPIWGSAGWQL-UHFFFAOYSA-O 1 0 389.544 4.362 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccccc2)c(C)[nH]1 ZINC000055013491 822931174 /nfs/dbraw/zinc/93/11/74/822931174.db2.gz GZPPPGXOVTUVAH-MRXNPFEDSA-O 1 0 378.521 4.209 20 30 GIEDRO N#Cc1ccccc1NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1 ZINC000055013884 822931182 /nfs/dbraw/zinc/93/11/82/822931182.db2.gz DNEDKRXPAKSAPQ-UHFFFAOYSA-O 1 0 394.426 4.175 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@H](C)c1ccccc1)[n+]1ccccc1 ZINC000055013419 822931256 /nfs/dbraw/zinc/93/12/56/822931256.db2.gz RJFDHHVTJZJJFA-QGZVFWFLSA-O 1 0 391.516 4.272 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc2c(c1)CCCC2 ZINC000055014365 822931426 /nfs/dbraw/zinc/93/14/26/822931426.db2.gz KVMQEPOJQOQMGQ-UHFFFAOYSA-O 1 0 397.564 4.188 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NC(C)(C)C)c1 ZINC000055014099 822931448 /nfs/dbraw/zinc/93/14/48/822931448.db2.gz BAWORFJROJGPPM-UHFFFAOYSA-O 1 0 381.565 4.488 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000055055644 822935717 /nfs/dbraw/zinc/93/57/17/822935717.db2.gz JQZGMGSVIOXHBB-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000055229245 822946912 /nfs/dbraw/zinc/94/69/12/822946912.db2.gz WTFKKKCKIZUOMK-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175588020 823002949 /nfs/dbraw/zinc/00/29/49/823002949.db2.gz ZIJIVOZPBCWZGT-UHFFFAOYSA-N 1 0 377.513 4.090 20 30 GIEDRO C=CCC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113145 823012409 /nfs/dbraw/zinc/01/24/09/823012409.db2.gz XTSNARLVILDONJ-AUSIDOKSSA-N 1 0 377.532 4.473 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1C ZINC000175710995 823025120 /nfs/dbraw/zinc/02/51/20/823025120.db2.gz FUZYVNKJIQRGSG-QFBILLFUSA-N 1 0 378.476 4.297 20 30 GIEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000175735792 823029229 /nfs/dbraw/zinc/02/92/29/823029229.db2.gz LCGMZNUTSDTMRZ-JOCHJYFZSA-N 1 0 393.487 4.082 20 30 GIEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000570437925 823038343 /nfs/dbraw/zinc/03/83/43/823038343.db2.gz IRJGWTHJYFNLAA-DZGCQCFKSA-N 1 0 392.334 4.111 20 30 GIEDRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000060630907 823549326 /nfs/dbraw/zinc/54/93/26/823549326.db2.gz WVSBHFGQPCPXEC-XXBNENTESA-N 1 0 390.531 4.392 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460956912 823550519 /nfs/dbraw/zinc/55/05/19/823550519.db2.gz DFOPTTNPWZCVCE-UHFFFAOYSA-N 1 0 381.568 4.064 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000060669339 823551485 /nfs/dbraw/zinc/55/14/85/823551485.db2.gz VWENIMOFTZAZNG-SFHVURJKSA-N 1 0 393.556 4.455 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123965182 823556133 /nfs/dbraw/zinc/55/61/33/823556133.db2.gz HXOAFHXBBGTIOI-QAPCUYQASA-N 1 0 377.891 4.062 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)c3c(F)cccc3F)c2)c1 ZINC000123978475 823557382 /nfs/dbraw/zinc/55/73/82/823557382.db2.gz DHUPTIZEMKABDH-QFIPXVFZSA-N 1 0 394.421 4.239 20 30 GIEDRO C[C@](O)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccsc1 ZINC000124102592 823567810 /nfs/dbraw/zinc/56/78/10/823567810.db2.gz IGYURPUYSOAKBB-QFIPXVFZSA-N 1 0 378.497 4.196 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)N2CCc3ccccc3C2)ccc1OC ZINC000060946879 823568659 /nfs/dbraw/zinc/56/86/59/823568659.db2.gz PHISNCXBMWEQIP-IBGZPJMESA-N 1 0 380.532 4.187 20 30 GIEDRO CC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1OC(F)F ZINC000411457434 823576872 /nfs/dbraw/zinc/57/68/72/823576872.db2.gz WDHYKLCHWYZSIH-GJZGRUSLSA-N 1 0 391.443 4.067 20 30 GIEDRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411506394 823582213 /nfs/dbraw/zinc/58/22/13/823582213.db2.gz PSHLQZCPPSOBII-GJZGRUSLSA-N 1 0 396.560 4.381 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000411519620 823583923 /nfs/dbraw/zinc/58/39/23/823583923.db2.gz SQNGIEYPWNTEGE-SWLSCSKDSA-N 1 0 388.562 4.271 20 30 GIEDRO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606258 823590748 /nfs/dbraw/zinc/59/07/48/823590748.db2.gz VBROHRVGZPWOBR-XDHUDOTRSA-N 1 0 399.494 4.172 20 30 GIEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411652141 823594358 /nfs/dbraw/zinc/59/43/58/823594358.db2.gz YLBZRVHJGFOIQU-GOSISDBHSA-N 1 0 375.394 4.479 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000461258808 823606517 /nfs/dbraw/zinc/60/65/17/823606517.db2.gz RKELAIBFWSSLRW-QFIPXVFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000461270264 823609731 /nfs/dbraw/zinc/60/97/31/823609731.db2.gz HUBFFFBJUNRRLP-NRFANRHFSA-N 1 0 391.515 4.491 20 30 GIEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000061746670 823611466 /nfs/dbraw/zinc/61/14/66/823611466.db2.gz LJPZKGYXZSSNEA-UHFFFAOYSA-N 1 0 388.924 4.307 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000411893832 823613661 /nfs/dbraw/zinc/61/36/61/823613661.db2.gz PLXSLICKDXJBIJ-OAQYLSRUSA-N 1 0 390.487 4.297 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412004126 823621053 /nfs/dbraw/zinc/62/10/53/823621053.db2.gz BOXFRAIIUVWKIV-HSZRJFAPSA-N 1 0 391.515 4.161 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124741937 823622583 /nfs/dbraw/zinc/62/25/83/823622583.db2.gz UHMYUYCVEBMHPB-LJQANCHMSA-N 1 0 377.488 4.073 20 30 GIEDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000412019352 823623028 /nfs/dbraw/zinc/62/30/28/823623028.db2.gz FHDNGSWVTUJGSV-QGZVFWFLSA-N 1 0 380.488 4.193 20 30 GIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1OC ZINC000124776063 823625400 /nfs/dbraw/zinc/62/54/00/823625400.db2.gz NPNHLRZVQOOOAR-UHFFFAOYSA-N 1 0 389.442 4.334 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375514 823630687 /nfs/dbraw/zinc/63/06/87/823630687.db2.gz KGGOHOJWAQGTGD-UHFFFAOYSA-N 1 0 392.837 4.086 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000063251172 823656948 /nfs/dbraw/zinc/65/69/48/823656948.db2.gz VKVHSKSYAYHNAK-JOCHJYFZSA-N 1 0 391.490 4.124 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063341813 823664633 /nfs/dbraw/zinc/66/46/33/823664633.db2.gz OMWSYRKXZOCQDX-NRFANRHFSA-N 1 0 393.487 4.022 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)sc2c1CCCCC2 ZINC000125345380 823669646 /nfs/dbraw/zinc/66/96/46/823669646.db2.gz JFNUPFVSONDTEQ-SFHVURJKSA-N 1 0 382.533 4.382 20 30 GIEDRO CCCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000125384109 823672178 /nfs/dbraw/zinc/67/21/78/823672178.db2.gz RJMUTFZCJXDBLS-UHFFFAOYSA-N 1 0 394.519 4.251 20 30 GIEDRO C=C(C)Cn1c(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000413002453 823699365 /nfs/dbraw/zinc/69/93/65/823699365.db2.gz UOZIBVJLVKFVEL-HXUWFJFHSA-N 1 0 391.544 4.283 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191718952 823745995 /nfs/dbraw/zinc/74/59/95/823745995.db2.gz DTARCBZMNVGXHI-UHFFFAOYSA-N 1 0 386.721 4.265 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(C#N)c1 ZINC000461904067 823747138 /nfs/dbraw/zinc/74/71/38/823747138.db2.gz SQCKMMYKHFWHBP-RTBURBONSA-N 1 0 375.516 4.353 20 30 GIEDRO C=C(C)C[N@@H+](CC)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000125931806 823747507 /nfs/dbraw/zinc/74/75/07/823747507.db2.gz CHCVWVSQKNALFW-LJQANCHMSA-N 1 0 393.531 4.356 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000461908272 823749481 /nfs/dbraw/zinc/74/94/81/823749481.db2.gz DGUYZUPVWYDGIG-RTBURBONSA-N 1 0 375.516 4.353 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549132 823761608 /nfs/dbraw/zinc/76/16/08/823761608.db2.gz LTPCCUKIHZUVNW-KKLQWCBXSA-N 1 0 394.563 4.232 20 30 GIEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1 ZINC000574570123 823769466 /nfs/dbraw/zinc/76/94/66/823769466.db2.gz GSJGHNFVXAKDAA-JOCHJYFZSA-N 1 0 396.579 4.185 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462049198 823812126 /nfs/dbraw/zinc/81/21/26/823812126.db2.gz XBOUXJFRNNGUAJ-CQSZACIVSA-N 1 0 397.332 4.239 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000574799014 823830668 /nfs/dbraw/zinc/83/06/68/823830668.db2.gz ISBUZDWQHWKXNK-IERDGZPVSA-N 1 0 396.332 4.424 20 30 GIEDRO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc(C#N)c1 ZINC000462180551 823857198 /nfs/dbraw/zinc/85/71/98/823857198.db2.gz MUAXICRNWNCWDE-CJFMBICVSA-N 1 0 387.527 4.176 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)cc1 ZINC000167180596 823887939 /nfs/dbraw/zinc/88/79/39/823887939.db2.gz GPWNYYNFIMBTGW-UXHICEINSA-N 1 0 379.500 4.273 20 30 GIEDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462279379 823910687 /nfs/dbraw/zinc/91/06/87/823910687.db2.gz YMXVZXXNIBFFLF-DHUIEDIVSA-N 1 0 399.897 4.263 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000064917203 823912141 /nfs/dbraw/zinc/91/21/41/823912141.db2.gz VRHGYQLUMJEDCP-OAQYLSRUSA-N 1 0 391.902 4.279 20 30 GIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(-c4ccccc4)cs3)C2=O)cc1 ZINC000192241528 823913407 /nfs/dbraw/zinc/91/34/07/823913407.db2.gz MEDYPBPNZBOBDR-QFIPXVFZSA-N 1 0 387.508 4.177 20 30 GIEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414161059 823921137 /nfs/dbraw/zinc/92/11/37/823921137.db2.gz FAVNTPUZYDVPHM-LJQANCHMSA-N 1 0 390.936 4.362 20 30 GIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1nccs1 ZINC000575224856 823945848 /nfs/dbraw/zinc/94/58/48/823945848.db2.gz UYYGKQYEPIURLZ-HNNXBMFYSA-N 1 0 396.438 4.177 20 30 GIEDRO N#Cc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)s1 ZINC000126915061 823979436 /nfs/dbraw/zinc/97/94/36/823979436.db2.gz BMCNDRDULIKCRI-UHFFFAOYSA-N 1 0 382.533 4.436 20 30 GIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000126982304 823994447 /nfs/dbraw/zinc/99/44/47/823994447.db2.gz XLXZXSMNIAMKAC-INIZCTEOSA-N 1 0 398.894 4.419 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000170909125 824004156 /nfs/dbraw/zinc/00/41/56/824004156.db2.gz RQLATWHAAPTGAX-GCJKJVERSA-N 1 0 397.519 4.379 20 30 GIEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414905251 824048606 /nfs/dbraw/zinc/04/86/06/824048606.db2.gz NTXURZJHKBFJJV-WIYYLYMNSA-N 1 0 384.911 4.490 20 30 GIEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911901 824048973 /nfs/dbraw/zinc/04/89/73/824048973.db2.gz UEFZXJVHZJZVCO-BEFAXECRSA-N 1 0 382.895 4.069 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2Cl)cc1 ZINC000414964704 824054775 /nfs/dbraw/zinc/05/47/75/824054775.db2.gz MRLQRHPWMCVEGW-OAQYLSRUSA-N 1 0 396.878 4.221 20 30 GIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629952 719095108 /nfs/dbraw/zinc/09/51/08/719095108.db2.gz UMYGLFDUNJQARK-VWNXMTODSA-N 1 0 395.510 4.116 20 30 GIEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)cc1C#N ZINC001165018760 721830911 /nfs/dbraw/zinc/83/09/11/721830911.db2.gz AEVDWKAVZFSIDB-LRQRDZAKSA-N 1 0 395.938 4.047 20 30 GIEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458530742 823051584 /nfs/dbraw/zinc/05/15/84/823051584.db2.gz ZAHVMGNVDANNGM-QFIPXVFZSA-N 1 0 384.568 4.479 20 30 GIEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458530739 823051673 /nfs/dbraw/zinc/05/16/73/823051673.db2.gz ZAHVMGNVDANNGM-JOCHJYFZSA-N 1 0 384.568 4.479 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000458574295 823058112 /nfs/dbraw/zinc/05/81/12/823058112.db2.gz XFWMCSUKYUFFEK-OIBXWCBGSA-N 1 0 390.531 4.384 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000458574303 823058267 /nfs/dbraw/zinc/05/82/67/823058267.db2.gz XFWMCSUKYUFFEK-WTIAFYNJSA-N 1 0 390.531 4.384 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000458805081 823089070 /nfs/dbraw/zinc/08/90/70/823089070.db2.gz TWWDCIQASKKLCY-BAGYTPMASA-N 1 0 380.536 4.080 20 30 GIEDRO N#Cc1csc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000120938630 823089808 /nfs/dbraw/zinc/08/98/08/823089808.db2.gz YTOVCGYODPDXKU-UHFFFAOYSA-N 1 0 375.803 4.246 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000458873018 823099912 /nfs/dbraw/zinc/09/99/12/823099912.db2.gz IQMIFTCNKBHTHM-GOSISDBHSA-N 1 0 390.531 4.270 20 30 GIEDRO Cc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000176062248 823110016 /nfs/dbraw/zinc/11/00/16/823110016.db2.gz WEHQMYJFEOVSSB-UHFFFAOYSA-N 1 0 395.528 4.338 20 30 GIEDRO N#Cc1ccc(CSCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056332214 823129462 /nfs/dbraw/zinc/12/94/62/823129462.db2.gz FCQRLIGLHUYCKN-UHFFFAOYSA-N 1 0 379.529 4.068 20 30 GIEDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000121178004 823132917 /nfs/dbraw/zinc/13/29/17/823132917.db2.gz KUMWMAMWAHGJKC-UHFFFAOYSA-N 1 0 399.494 4.129 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(C#N)cc1 ZINC000571156802 823142382 /nfs/dbraw/zinc/14/23/82/823142382.db2.gz WPNUDVYSHKHZFS-RDTXWAMCSA-N 1 0 378.426 4.366 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000121325591 823163495 /nfs/dbraw/zinc/16/34/95/823163495.db2.gz USOVTIFLLJLVDH-HXUWFJFHSA-N 1 0 389.499 4.217 20 30 GIEDRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000459340247 823164942 /nfs/dbraw/zinc/16/49/42/823164942.db2.gz CSVMFSSRHBJHTE-WNOPAQSVSA-N 1 0 375.516 4.183 20 30 GIEDRO C[N@H+](CCOc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121470134 823190661 /nfs/dbraw/zinc/19/06/61/823190661.db2.gz INXKLTVGXPNAON-UHFFFAOYSA-N 1 0 378.451 4.114 20 30 GIEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459456277 823195766 /nfs/dbraw/zinc/19/57/66/823195766.db2.gz FOTVKRDBTXODHX-GDBMZVCRSA-N 1 0 378.314 4.067 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1F ZINC000121522417 823199400 /nfs/dbraw/zinc/19/94/00/823199400.db2.gz KMZZDSVSYDVJDW-KRWDZBQOSA-N 1 0 383.467 4.049 20 30 GIEDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000571605156 823207249 /nfs/dbraw/zinc/20/72/49/823207249.db2.gz XJAXCZJKLLPNBK-QRWLVFNGSA-N 1 0 376.422 4.296 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409463046 823225309 /nfs/dbraw/zinc/22/53/09/823225309.db2.gz CFCDZVOUJJAOME-SFHVURJKSA-N 1 0 399.498 4.371 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cccc(Br)c3)CC2)cc1 ZINC000459631660 823233074 /nfs/dbraw/zinc/23/30/74/823233074.db2.gz BQVZJJBRMAOBSX-UHFFFAOYSA-N 1 0 398.348 4.117 20 30 GIEDRO C=C[C@H](CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000121704617 823234115 /nfs/dbraw/zinc/23/41/15/823234115.db2.gz BSCXVONVMGUNNM-KCZVDYSFSA-N 1 0 384.564 4.084 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459649592 823238838 /nfs/dbraw/zinc/23/88/38/823238838.db2.gz MFRNNAWDBMDACM-IBGZPJMESA-N 1 0 399.453 4.441 20 30 GIEDRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc(OCC#N)cc3)c21 ZINC000176601451 823245787 /nfs/dbraw/zinc/24/57/87/823245787.db2.gz CDUNCMWPIHFFIQ-UHFFFAOYSA-N 1 0 393.487 4.176 20 30 GIEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000459689418 823251169 /nfs/dbraw/zinc/25/11/69/823251169.db2.gz IRZZMNRFMRQOAA-UHFFFAOYSA-N 1 0 396.329 4.008 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000057177523 823259984 /nfs/dbraw/zinc/25/99/84/823259984.db2.gz GHLOMBWHIPFCPA-QGZVFWFLSA-N 1 0 380.463 4.140 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188610533 823272531 /nfs/dbraw/zinc/27/25/31/823272531.db2.gz ORVXRXXQSNBGSH-LJQANCHMSA-N 1 0 379.548 4.093 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(C(F)(F)F)c1 ZINC000176709417 823274156 /nfs/dbraw/zinc/27/41/56/823274156.db2.gz ZVDAVJMMVLNZBY-NHYWBVRUSA-N 1 0 379.407 4.095 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(C)c3)c2CCC)CC1 ZINC000572103655 823283824 /nfs/dbraw/zinc/28/38/24/823283824.db2.gz JSOXZUMXUQDEFS-UHFFFAOYSA-N 1 0 395.551 4.295 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000007266813 817807177 /nfs/dbraw/zinc/80/71/77/817807177.db2.gz FBQJIQDLDDRXQX-HOTGVXAUSA-N 1 0 381.476 4.033 20 30 GIEDRO O=C(c1ccc(Cl)cc1)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000007611283 817879403 /nfs/dbraw/zinc/87/94/03/817879403.db2.gz KNIOFGDGEQGIQF-UHFFFAOYSA-O 1 0 397.907 4.171 20 30 GIEDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000572280143 823312570 /nfs/dbraw/zinc/31/25/70/823312570.db2.gz JWUPNTLBGJFZJU-OAQYLSRUSA-N 1 0 391.408 4.123 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572320007 823319616 /nfs/dbraw/zinc/31/96/16/823319616.db2.gz NICJKSVKONCLRG-KRWDZBQOSA-N 1 0 389.455 4.484 20 30 GIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[C@H](C)C1 ZINC000122209030 823321884 /nfs/dbraw/zinc/32/18/84/823321884.db2.gz INEIHRBKSHCRTC-XMSQKQJNSA-N 1 0 391.515 4.461 20 30 GIEDRO CC(C)CCN(CCC#N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000176938992 823329665 /nfs/dbraw/zinc/32/96/65/823329665.db2.gz QQOWEXAVKJSANZ-UHFFFAOYSA-N 1 0 388.581 4.072 20 30 GIEDRO Cc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000017517662 818518016 /nfs/dbraw/zinc/51/80/16/818518016.db2.gz RYPDLABGSLYLTJ-UHFFFAOYSA-N 1 0 378.545 4.080 20 30 GIEDRO C[C@H]1CCCN(C(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000177026906 823353068 /nfs/dbraw/zinc/35/30/68/823353068.db2.gz AURHJQJIZASHES-KRWDZBQOSA-N 1 0 392.465 4.027 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000122478541 823360367 /nfs/dbraw/zinc/36/03/67/823360367.db2.gz VRHGYQLUMJEDCP-NRFANRHFSA-N 1 0 391.902 4.279 20 30 GIEDRO CCOc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000022134779 818775291 /nfs/dbraw/zinc/77/52/91/818775291.db2.gz GMRNUDHQDPXWHY-CYFREDJKSA-N 1 0 399.579 4.173 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N(CCC)[C@H](C)c2ccccc2Br)CC1 ZINC000122495465 823363120 /nfs/dbraw/zinc/36/31/20/823363120.db2.gz KHDOTHXGCWTWOL-MRXNPFEDSA-N 1 0 391.353 4.094 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687492 818844400 /nfs/dbraw/zinc/84/44/00/818844400.db2.gz AKSXELAJQORMDI-UHFFFAOYSA-O 1 0 389.491 4.264 20 30 GIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000022730794 818851980 /nfs/dbraw/zinc/85/19/80/818851980.db2.gz UWMKMRFEFMIQPW-UHFFFAOYSA-O 1 0 387.528 4.191 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734338 818852603 /nfs/dbraw/zinc/85/26/03/818852603.db2.gz HWOAJZVLXQLELA-UHFFFAOYSA-O 1 0 397.470 4.001 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(CC)cc1 ZINC000022798166 818862391 /nfs/dbraw/zinc/86/23/91/818862391.db2.gz GBEUPDYKKSFEKU-UHFFFAOYSA-O 1 0 379.549 4.130 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177105201 823372688 /nfs/dbraw/zinc/37/26/88/823372688.db2.gz KHCSQRWRRIRYDY-RDJZCZTQSA-N 1 0 377.513 4.064 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)cc1 ZINC000023753987 818980131 /nfs/dbraw/zinc/98/01/31/818980131.db2.gz VJAMSNGDYZCJBO-UHFFFAOYSA-N 1 0 395.506 4.158 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000177159945 823386853 /nfs/dbraw/zinc/38/68/53/823386853.db2.gz VKLLNFPLQVRATQ-APWZRJJASA-N 1 0 391.540 4.206 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000058452973 823393673 /nfs/dbraw/zinc/39/36/73/823393673.db2.gz PWLMGQFNSOBJMX-UHFFFAOYSA-N 1 0 376.504 4.420 20 30 GIEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058580269 823412107 /nfs/dbraw/zinc/41/21/07/823412107.db2.gz JSSOHZSDTYMTDQ-UHFFFAOYSA-N 1 0 375.394 4.169 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460547181 823427217 /nfs/dbraw/zinc/42/72/17/823427217.db2.gz WYNWWIAWIOGYRQ-HXUWFJFHSA-N 1 0 397.542 4.423 20 30 GIEDRO C=CCOc1ccc(/C=C/C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1OC ZINC000177308731 823428691 /nfs/dbraw/zinc/42/86/91/823428691.db2.gz VYGBACWEEOILSX-ZRDIBKRKSA-N 1 0 380.488 4.282 20 30 GIEDRO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)s1 ZINC000189518175 823435857 /nfs/dbraw/zinc/43/58/57/823435857.db2.gz ZYBXAPJVTONCRA-UHFFFAOYSA-N 1 0 391.544 4.123 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000025867004 820032585 /nfs/dbraw/zinc/03/25/85/820032585.db2.gz NDAKMXNWNSFVEK-XJKSGUPXSA-N 1 0 379.287 4.150 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2CCCCC2)c1 ZINC000027460822 820247454 /nfs/dbraw/zinc/24/74/54/820247454.db2.gz HAXZLEQEIYUKLT-UHFFFAOYSA-O 1 0 398.508 4.052 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccccc2)cc1 ZINC000027486257 820251592 /nfs/dbraw/zinc/25/15/92/820251592.db2.gz MBPKURGTFGVQRH-FXAWDEMLSA-O 1 0 397.564 4.480 20 30 GIEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(CC#N)cc1 ZINC000573206051 823465372 /nfs/dbraw/zinc/46/53/72/823465372.db2.gz PVYQANHKFOIDJB-CQSZACIVSA-N 1 0 375.394 4.278 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027579784 820263193 /nfs/dbraw/zinc/26/31/93/820263193.db2.gz XSOCTAKNVKERNM-OAQYLSRUSA-N 1 0 383.923 4.344 20 30 GIEDRO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028173029 820315134 /nfs/dbraw/zinc/31/51/34/820315134.db2.gz LRPQTSQLEOOVON-HXUWFJFHSA-N 1 0 386.417 4.010 20 30 GIEDRO C=CC[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1ccccc1 ZINC000573261254 823472538 /nfs/dbraw/zinc/47/25/38/823472538.db2.gz OATYRAMEIJUHSB-OAQYLSRUSA-N 1 0 379.504 4.265 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000028955474 820377326 /nfs/dbraw/zinc/37/73/26/820377326.db2.gz VYYXYGGFLFSOGX-MRXNPFEDSA-N 1 0 385.895 4.336 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000410362862 823474733 /nfs/dbraw/zinc/47/47/33/823474733.db2.gz ZCXNPXKELSQUOV-RBUKOAKNSA-N 1 0 390.531 4.351 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000029113070 820394639 /nfs/dbraw/zinc/39/46/39/820394639.db2.gz ZXXPDALDUUNWCE-QHCPKHFHSA-N 1 0 379.504 4.319 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569873 820477969 /nfs/dbraw/zinc/47/79/69/820477969.db2.gz RJRURPBVYMNMEZ-UGKGYDQZSA-N 1 0 387.527 4.479 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(C)C ZINC000030454963 820618777 /nfs/dbraw/zinc/61/87/77/820618777.db2.gz XQIHCTNVRJLQDA-HZPDHXFCSA-N 1 0 381.476 4.032 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000030532741 820633990 /nfs/dbraw/zinc/63/39/90/820633990.db2.gz PRATZLGNJVEUBT-WIYYLYMNSA-N 1 0 388.467 4.441 20 30 GIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@H]2CC)c(OC)c1 ZINC000030537259 820635830 /nfs/dbraw/zinc/63/58/30/820635830.db2.gz LJYDRQHDPRNBPF-IEBWSBKVSA-N 1 0 387.545 4.234 20 30 GIEDRO C[C@H]1CCC[C@@](CNC(=O)c2ccccc2-c2ccccc2C#N)([NH+](C)C)C1 ZINC000059891322 823501805 /nfs/dbraw/zinc/50/18/05/823501805.db2.gz MOMKXPAFTCVLIX-MHECFPHRSA-N 1 0 375.516 4.466 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1 ZINC000032245753 820905011 /nfs/dbraw/zinc/90/50/11/820905011.db2.gz NUTLHGCRWTYSOX-NRFANRHFSA-N 1 0 383.495 4.128 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000032813802 821010749 /nfs/dbraw/zinc/01/07/49/821010749.db2.gz NYHJVUDKFXRTEA-UHFFFAOYSA-O 1 0 379.549 4.130 20 30 GIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000123722077 823534884 /nfs/dbraw/zinc/53/48/84/823534884.db2.gz KVUMWFHETZQLTD-UHFFFAOYSA-N 1 0 390.237 4.353 20 30 GIEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741008 821329104 /nfs/dbraw/zinc/32/91/04/821329104.db2.gz YKDDPKLQXDTNLL-GOSISDBHSA-N 1 0 376.504 4.180 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307177 821389742 /nfs/dbraw/zinc/38/97/42/821389742.db2.gz NEZYXQQHXFCEJX-NRFANRHFSA-N 1 0 396.922 4.190 20 30 GIEDRO Cc1ccc(Cl)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043357239 821397165 /nfs/dbraw/zinc/39/71/65/821397165.db2.gz IQZHYFSRUSSFKU-UHFFFAOYSA-N 1 0 382.895 4.260 20 30 GIEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000180702274 821404543 /nfs/dbraw/zinc/40/45/43/821404543.db2.gz JTXLCNHQVUFHRF-LJQANCHMSA-N 1 0 379.504 4.300 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 ZINC000180816700 821477287 /nfs/dbraw/zinc/47/72/87/821477287.db2.gz XBPCYILNLXDWJA-PXNSSMCTSA-N 1 0 378.472 4.239 20 30 GIEDRO CCCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000044079752 821517915 /nfs/dbraw/zinc/51/79/15/821517915.db2.gz JJYRFSCDVFZRDB-UHFFFAOYSA-N 1 0 376.504 4.251 20 30 GIEDRO C#CCCOc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181119248 821644010 /nfs/dbraw/zinc/64/40/10/821644010.db2.gz GXBCBMKLYLPCSK-UHFFFAOYSA-N 1 0 377.410 4.141 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000181130847 821651805 /nfs/dbraw/zinc/65/18/05/821651805.db2.gz RXGMBYDYMFEGCJ-NWDGAFQWSA-N 1 0 390.281 4.208 20 30 GIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181213712 821700662 /nfs/dbraw/zinc/70/06/62/821700662.db2.gz OELBCUCKDZRCFY-HNNXBMFYSA-N 1 0 388.389 4.364 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000181394571 821804544 /nfs/dbraw/zinc/80/45/44/821804544.db2.gz PMVOSWJIIMLMNB-GJZGRUSLSA-N 1 0 399.491 4.243 20 30 GIEDRO COc1cc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181501790 821855927 /nfs/dbraw/zinc/85/59/27/821855927.db2.gz PEZYIPPKUMTRLN-SFHVURJKSA-N 1 0 393.531 4.199 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524802 821866420 /nfs/dbraw/zinc/86/64/20/821866420.db2.gz AUCDCXXBSHUYHN-XJKSGUPXSA-N 1 0 390.833 4.022 20 30 GIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000181538137 821872423 /nfs/dbraw/zinc/87/24/23/821872423.db2.gz OSLAODJHVGPSFP-WMZHIEFXSA-N 1 0 393.531 4.475 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000181547120 821875971 /nfs/dbraw/zinc/87/59/71/821875971.db2.gz BYNFUYCOFMNPQG-HXUWFJFHSA-N 1 0 394.475 4.199 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181574602 821885868 /nfs/dbraw/zinc/88/58/68/821885868.db2.gz IZYQFHLMMIPOOO-ZCYQVOJMSA-N 1 0 389.543 4.280 20 30 GIEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596891 821896083 /nfs/dbraw/zinc/89/60/83/821896083.db2.gz LGIKUFJPUPJVPE-UNMCSNQZSA-N 1 0 381.907 4.022 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1 ZINC000181609070 821901669 /nfs/dbraw/zinc/90/16/69/821901669.db2.gz APBVNFRNBVOWIT-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(OCC#N)cc1 ZINC000181765747 821983630 /nfs/dbraw/zinc/98/36/30/821983630.db2.gz GYWWPMUQTYQWNO-DOTOQJQBSA-N 1 0 387.430 4.120 20 30 GIEDRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2c(OC)c1 ZINC000181875721 822023475 /nfs/dbraw/zinc/02/34/75/822023475.db2.gz QBOBUDHAOGPPHL-INIZCTEOSA-N 1 0 393.487 4.371 20 30 GIEDRO Cc1ccc(OC(F)F)c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181887158 822027097 /nfs/dbraw/zinc/02/70/97/822027097.db2.gz DKEKJWYHAKLOPG-UHFFFAOYSA-N 1 0 385.458 4.222 20 30 GIEDRO COc1ccc(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181925104 822037680 /nfs/dbraw/zinc/03/76/80/822037680.db2.gz UGECFLMTSLEBRN-UHFFFAOYSA-N 1 0 377.532 4.099 20 30 GIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181966974 822047917 /nfs/dbraw/zinc/04/79/17/822047917.db2.gz PFRZHNKPKXHXBD-MJGOQNOKSA-N 1 0 381.442 4.191 20 30 GIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182014280 822062855 /nfs/dbraw/zinc/06/28/55/822062855.db2.gz DUNLHWBIWOZIHL-SBUREZEXSA-N 1 0 397.494 4.110 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072028 822082011 /nfs/dbraw/zinc/08/20/11/822082011.db2.gz RNISKTXDLDZJAP-WIOPSUGQSA-N 1 0 389.543 4.280 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000182436395 822242250 /nfs/dbraw/zinc/24/22/50/822242250.db2.gz GHWKKMILIIQCSE-HNNXBMFYSA-N 1 0 375.394 4.303 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000178021491 822286483 /nfs/dbraw/zinc/28/64/83/822286483.db2.gz LBEKOZJUKCPIOK-KRWDZBQOSA-N 1 0 378.476 4.156 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(OC)c1 ZINC000182559882 822302334 /nfs/dbraw/zinc/30/23/34/822302334.db2.gz LZPGWMJZZZWXSO-QFIPXVFZSA-N 1 0 391.515 4.063 20 30 GIEDRO CCN(CC)C(=O)CCC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000182571826 822308065 /nfs/dbraw/zinc/30/80/65/822308065.db2.gz QROQINQTJSTIHO-UHFFFAOYSA-N 1 0 394.481 4.418 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1 ZINC000178529191 822388311 /nfs/dbraw/zinc/38/83/11/822388311.db2.gz VHBDEAMQBWHRPJ-KRWDZBQOSA-N 1 0 388.943 4.419 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914719 822391831 /nfs/dbraw/zinc/39/18/31/822391831.db2.gz ISUWAJWCFWHFQW-UYAOXDASSA-N 1 0 385.552 4.046 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178680055 822402259 /nfs/dbraw/zinc/40/22/59/822402259.db2.gz CZVFFSLYNKYCCA-ROUUACIJSA-N 1 0 394.475 4.198 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000045780083 822412775 /nfs/dbraw/zinc/41/27/75/822412775.db2.gz VNUSWEFFOORNBN-LJQANCHMSA-N 1 0 390.531 4.274 20 30 GIEDRO C#CCOc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000183081454 822422248 /nfs/dbraw/zinc/42/22/48/822422248.db2.gz YUENJKPYAMUARL-LJQANCHMSA-N 1 0 378.516 4.076 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000179164949 822446312 /nfs/dbraw/zinc/44/63/12/822446312.db2.gz MANPNLPXNLHSBC-UHFFFAOYSA-N 1 0 388.512 4.114 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000046347242 822464647 /nfs/dbraw/zinc/46/46/47/822464647.db2.gz RNTQCYNCVHWJCV-OAHLLOKOSA-N 1 0 383.970 4.464 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316245 822465022 /nfs/dbraw/zinc/46/50/22/822465022.db2.gz SAYGMQCMWTXWTP-CABCVRRESA-N 1 0 383.458 4.147 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316238 822465151 /nfs/dbraw/zinc/46/51/51/822465151.db2.gz SAYGMQCMWTXWTP-LSDHHAIUSA-N 1 0 383.458 4.147 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183398615 822468303 /nfs/dbraw/zinc/46/83/03/822468303.db2.gz CBSQDHOGKQWXJP-DYESRHJHSA-N 1 0 393.556 4.488 20 30 GIEDRO CC1(C)CN(C(=O)NCCCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454443511 822476766 /nfs/dbraw/zinc/47/67/66/822476766.db2.gz CGCZMAFHHSCDNO-NRFANRHFSA-N 1 0 382.552 4.012 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454445654 822477010 /nfs/dbraw/zinc/47/70/10/822477010.db2.gz MGYHRMQDVJUWGY-LJQANCHMSA-N 1 0 390.531 4.474 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000454480019 822482101 /nfs/dbraw/zinc/48/21/01/822482101.db2.gz GPEKUOMBCZFDOL-HNAYVOBHSA-N 1 0 382.895 4.069 20 30 GIEDRO CC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464241 822486548 /nfs/dbraw/zinc/48/65/48/822486548.db2.gz QQSNKBLQXPMDIY-INIZCTEOSA-N 1 0 376.460 4.412 20 30 GIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000183609514 822500812 /nfs/dbraw/zinc/50/08/12/822500812.db2.gz ZQGMJKGYDQDUPG-MRXNPFEDSA-N 1 0 399.454 4.088 20 30 GIEDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179592110 822508736 /nfs/dbraw/zinc/50/87/36/822508736.db2.gz RKJYHCSOEULIFX-UHFFFAOYSA-N 1 0 390.531 4.287 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000183731578 822518100 /nfs/dbraw/zinc/51/81/00/822518100.db2.gz MRWMKNCWYMVFGM-AWEZNQCLSA-N 1 0 376.485 4.280 20 30 GIEDRO CCC1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000454715104 822522331 /nfs/dbraw/zinc/52/23/31/822522331.db2.gz OPODCVDTTIYADY-FPOVZHCZSA-N 1 0 382.552 4.060 20 30 GIEDRO Cn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(-c2cccs2)n1 ZINC000179778879 822551212 /nfs/dbraw/zinc/55/12/12/822551212.db2.gz UASREGCNMGZWGU-UHFFFAOYSA-N 1 0 378.501 4.064 20 30 GIEDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nccs1 ZINC000183982072 822557544 /nfs/dbraw/zinc/55/75/44/822557544.db2.gz GCNAYUMYIIXELG-ZDUSSCGKSA-N 1 0 388.562 4.019 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)C(c1ccccc1)c1ccccc1 ZINC000184009486 822563110 /nfs/dbraw/zinc/56/31/10/822563110.db2.gz HEYROMLJFPFUCU-MRXNPFEDSA-N 1 0 375.497 4.368 20 30 GIEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000179851023 822566204 /nfs/dbraw/zinc/56/62/04/822566204.db2.gz OXLRGINFVCUPKH-VQIMIIECSA-N 1 0 376.460 4.051 20 30 GIEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000184100690 822578122 /nfs/dbraw/zinc/57/81/22/822578122.db2.gz UGTBAVHNLDIGED-LJQANCHMSA-N 1 0 384.911 4.411 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964275 822586682 /nfs/dbraw/zinc/58/66/82/822586682.db2.gz VEINMTHMOLVTLJ-OYHNWAKOSA-N 1 0 381.451 4.077 20 30 GIEDRO CC(C)C[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047700965 822600987 /nfs/dbraw/zinc/60/09/87/822600987.db2.gz YOYQKDIKXSBPOV-UHFFFAOYSA-N 1 0 377.532 4.347 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000180031852 822601251 /nfs/dbraw/zinc/60/12/51/822601251.db2.gz RLYBXTRKDTWDKV-QZTJIDSGSA-N 1 0 380.492 4.010 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180038172 822602440 /nfs/dbraw/zinc/60/24/40/822602440.db2.gz OEVCQHSFPCAYMS-UHFFFAOYSA-N 1 0 386.377 4.147 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180038817 822602451 /nfs/dbraw/zinc/60/24/51/822602451.db2.gz YREYIWWVYFGYDD-DLBZAZTESA-N 1 0 398.532 4.073 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000455189170 822604290 /nfs/dbraw/zinc/60/42/90/822604290.db2.gz YQXZSWBJLKXGNN-UHFFFAOYSA-N 1 0 395.572 4.217 20 30 GIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000184348296 822619987 /nfs/dbraw/zinc/61/99/87/822619987.db2.gz YJINCUWPTMQBGB-CYBMUJFWSA-N 1 0 394.475 4.419 20 30 GIEDRO CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000184434881 822634423 /nfs/dbraw/zinc/63/44/23/822634423.db2.gz VSWTWJVZGGPJNC-AZUAARDMSA-N 1 0 392.503 4.106 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(CCC#N)c3ccccc3)oc21 ZINC000180354874 822669025 /nfs/dbraw/zinc/66/90/25/822669025.db2.gz LNUAQTRGGABFQX-KRWDZBQOSA-N 1 0 391.471 4.429 20 30 GIEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000180362814 822670684 /nfs/dbraw/zinc/67/06/84/822670684.db2.gz CWCJSKJHFHHUQQ-UWJYYQICSA-N 1 0 382.504 4.376 20 30 GIEDRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000048828064 822684823 /nfs/dbraw/zinc/68/48/23/822684823.db2.gz IOZLEJBWCKCSDM-OALUTQOASA-N 1 0 390.531 4.351 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000184756394 822686576 /nfs/dbraw/zinc/68/65/76/822686576.db2.gz XRBPGRPSDHDQFN-TZMCWYRMSA-N 1 0 399.564 4.046 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000184851140 822700285 /nfs/dbraw/zinc/70/02/85/822700285.db2.gz XRDRULIZAYRJRY-UHFFFAOYSA-N 1 0 384.293 4.059 20 30 GIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)CC1 ZINC000455697336 822705313 /nfs/dbraw/zinc/70/53/13/822705313.db2.gz DUDFEUXKNQBKIH-SFHVURJKSA-N 1 0 388.943 4.382 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000455698791 822705613 /nfs/dbraw/zinc/70/56/13/822705613.db2.gz GMBDTDRRGJLPFS-LJQANCHMSA-N 1 0 396.922 4.092 20 30 GIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704671 822707550 /nfs/dbraw/zinc/70/75/50/822707550.db2.gz NWBGWHLMVAKASU-QAPCUYQASA-N 1 0 382.895 4.363 20 30 GIEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455709235 822709316 /nfs/dbraw/zinc/70/93/16/822709316.db2.gz VOZYOJGWUUGTIG-UHFFFAOYSA-N 1 0 376.932 4.286 20 30 GIEDRO CC(C)(CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000455754073 822720065 /nfs/dbraw/zinc/72/00/65/822720065.db2.gz QBRMJHZRSZCMDU-UHFFFAOYSA-N 1 0 396.922 4.364 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000455766103 822722446 /nfs/dbraw/zinc/72/24/46/822722446.db2.gz HTCGTZYQQVZALN-OXQOHEQNSA-N 1 0 396.535 4.216 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000455899777 822744852 /nfs/dbraw/zinc/74/48/52/822744852.db2.gz HREARSMKUPENQE-UHFFFAOYSA-N 1 0 386.446 4.331 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455906407 822746370 /nfs/dbraw/zinc/74/63/70/822746370.db2.gz NMBPLYRCRAGYMF-UHFFFAOYSA-N 1 0 376.504 4.306 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000455908751 822746850 /nfs/dbraw/zinc/74/68/50/822746850.db2.gz RIPPOEIHGZHCEW-GOSISDBHSA-N 1 0 390.409 4.196 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455921435 822749926 /nfs/dbraw/zinc/74/99/26/822749926.db2.gz OTJLIZXCUVGFRC-XMSQKQJNSA-N 1 0 376.504 4.269 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455923082 822750199 /nfs/dbraw/zinc/75/01/99/822750199.db2.gz SHIZNNJKEWAILM-GOSISDBHSA-N 1 0 376.504 4.449 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)Nc2cccc(CC#N)c2)c2cccs2)CC1 ZINC000455947509 822756040 /nfs/dbraw/zinc/75/60/40/822756040.db2.gz OEOVZYSVGJAWNO-LJQANCHMSA-N 1 0 382.533 4.409 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000455958813 822757344 /nfs/dbraw/zinc/75/73/44/822757344.db2.gz SVMMWXQQMLWWMM-UHFFFAOYSA-N 1 0 388.515 4.387 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456012796 822766372 /nfs/dbraw/zinc/76/63/72/822766372.db2.gz WDZGRQRFNHVMLB-HXUWFJFHSA-N 1 0 376.504 4.243 20 30 GIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000174346898 822775904 /nfs/dbraw/zinc/77/59/04/822775904.db2.gz OSMSQEUOPJUJIB-IBGZPJMESA-N 1 0 377.960 4.411 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374872 822780298 /nfs/dbraw/zinc/78/02/98/822780298.db2.gz CCFGNHZKLRVNSI-HUUCEWRRSA-N 1 0 393.878 4.075 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000174374846 822780328 /nfs/dbraw/zinc/78/03/28/822780328.db2.gz CCFGNHZKLRVNSI-CABCVRRESA-N 1 0 393.878 4.075 20 30 GIEDRO COc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)cc1OCCCC#N ZINC000174447032 822790882 /nfs/dbraw/zinc/79/08/82/822790882.db2.gz PMIQNVFDTWGLBB-UHFFFAOYSA-N 1 0 377.488 4.500 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000174468766 822794347 /nfs/dbraw/zinc/79/43/47/822794347.db2.gz ARPOVJLWZCKDNY-FQEVSTJZSA-N 1 0 397.906 4.308 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000174497140 822796989 /nfs/dbraw/zinc/79/69/89/822796989.db2.gz PUBKAMFUYOUOFV-UHFFFAOYSA-N 1 0 394.450 4.238 20 30 GIEDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000174587139 822808614 /nfs/dbraw/zinc/80/86/14/822808614.db2.gz WBEGTUOKAJPQLY-SFHVURJKSA-N 1 0 390.487 4.029 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000053086095 822820933 /nfs/dbraw/zinc/82/09/33/822820933.db2.gz ZXEQREVKAGEZPA-CQSZACIVSA-N 1 0 391.899 4.448 20 30 GIEDRO Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456792767 822831479 /nfs/dbraw/zinc/83/14/79/822831479.db2.gz PHKCQJQUELBJTL-UHFFFAOYSA-N 1 0 383.879 4.245 20 30 GIEDRO C=CCC(C)(C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457115963 822854739 /nfs/dbraw/zinc/85/47/39/822854739.db2.gz NDYGEXCQJLHZJR-UHFFFAOYSA-N 1 0 389.971 4.055 20 30 GIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000054426324 822883973 /nfs/dbraw/zinc/88/39/73/822883973.db2.gz PTMJVRFXNRYVBM-LJQANCHMSA-N 1 0 395.528 4.283 20 30 GIEDRO CC(C)c1nccn1Cc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000175217106 822906903 /nfs/dbraw/zinc/90/69/03/822906903.db2.gz NEMXQWBRFXJCQS-UHFFFAOYSA-N 1 0 391.450 4.387 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000569399394 822916834 /nfs/dbraw/zinc/91/68/34/822916834.db2.gz SOBJQQAQARGQFT-QGZVFWFLSA-N 1 0 387.405 4.428 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569474320 822927428 /nfs/dbraw/zinc/92/74/28/822927428.db2.gz VRNCIWGSCWAJBK-WEYGHZABSA-N 1 0 382.529 4.024 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C(=S)NC)cc1 ZINC000055012536 822930951 /nfs/dbraw/zinc/93/09/51/822930951.db2.gz GYKRKNPFUYEGTN-UHFFFAOYSA-O 1 0 387.528 4.266 20 30 GIEDRO CNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000055012522 822930954 /nfs/dbraw/zinc/93/09/54/822930954.db2.gz NSLXCHKAIRKOIL-UHFFFAOYSA-O 1 0 375.517 4.032 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H](C)c1ccccc1)[n+]1ccccc1 ZINC000055013418 822931232 /nfs/dbraw/zinc/93/12/32/822931232.db2.gz RJFDHHVTJZJJFA-KRWDZBQOSA-O 1 0 391.516 4.272 20 30 GIEDRO CN(C)c1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC(C)(C)C)cc1 ZINC000055014328 822931382 /nfs/dbraw/zinc/93/13/82/822931382.db2.gz YTXOSTXVJUNGED-UHFFFAOYSA-O 1 0 396.536 4.113 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)c(C)c(C)c1C ZINC000055014180 822931432 /nfs/dbraw/zinc/93/14/32/822931432.db2.gz KYQYXMKVIDNVON-UHFFFAOYSA-O 1 0 399.580 4.027 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747411 822962701 /nfs/dbraw/zinc/96/27/01/822962701.db2.gz WONQQGFLVTURJI-RPBOFIJWSA-N 1 0 395.506 4.063 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175617911 823007513 /nfs/dbraw/zinc/00/75/13/823007513.db2.gz WKHGQWKMRRDOTR-LJQANCHMSA-N 1 0 388.471 4.137 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ncc(Br)cc1F ZINC000187082531 823008268 /nfs/dbraw/zinc/00/82/68/823008268.db2.gz VAKGUGVMRIVDCJ-GFCCVEGCSA-N 1 0 394.313 4.439 20 30 GIEDRO C=CCC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113093 823012523 /nfs/dbraw/zinc/01/25/23/823012523.db2.gz XTSNARLVILDONJ-CVDCTZTESA-N 1 0 377.532 4.473 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187162712 823019517 /nfs/dbraw/zinc/01/95/17/823019517.db2.gz DSYFYDSEJWAXIV-WMZHIEFXSA-N 1 0 387.527 4.101 20 30 GIEDRO C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC000187200046 823024129 /nfs/dbraw/zinc/02/41/29/823024129.db2.gz VROWZCJMWIAECX-OAQYLSRUSA-N 1 0 379.504 4.265 20 30 GIEDRO C=CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000177909824 823545149 /nfs/dbraw/zinc/54/51/49/823545149.db2.gz ARSVFTPCGGVNKJ-IBGZPJMESA-N 1 0 383.561 4.436 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411162141 823553215 /nfs/dbraw/zinc/55/32/15/823553215.db2.gz CQWKAPBEYIMKQI-MRXNPFEDSA-N 1 0 380.448 4.014 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000411165355 823553641 /nfs/dbraw/zinc/55/36/41/823553641.db2.gz JUUXDYLDLAYLTI-QGZVFWFLSA-N 1 0 387.487 4.188 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)c2)c1 ZINC000123978693 823557433 /nfs/dbraw/zinc/55/74/33/823557433.db2.gz DHUPTIZEMKABDH-JOCHJYFZSA-N 1 0 394.421 4.239 20 30 GIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)c1 ZINC000411238984 823559844 /nfs/dbraw/zinc/55/98/44/823559844.db2.gz PYORQWFVGLGWLF-UHFFFAOYSA-N 1 0 377.419 4.396 20 30 GIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411263093 823560894 /nfs/dbraw/zinc/56/08/94/823560894.db2.gz SDXWXQFKPCNXQH-MRXNPFEDSA-N 1 0 387.524 4.049 20 30 GIEDRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411413260 823571398 /nfs/dbraw/zinc/57/13/98/823571398.db2.gz CVIUZFHIRPHMHK-LSDHHAIUSA-N 1 0 382.533 4.161 20 30 GIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609814 823591111 /nfs/dbraw/zinc/59/11/11/823591111.db2.gz NFXNVBFFJBZBBY-VQTJNVASSA-N 1 0 399.441 4.001 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628769 823593427 /nfs/dbraw/zinc/59/34/27/823593427.db2.gz RGBISQCOFUTGMO-VGOFRKELSA-N 1 0 391.515 4.187 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)ccc1OCc1ccccc1 ZINC000190796928 823610089 /nfs/dbraw/zinc/61/00/89/823610089.db2.gz NXWMLUNUYWOWJE-QGZVFWFLSA-N 1 0 375.472 4.335 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000061868787 823616968 /nfs/dbraw/zinc/61/69/68/823616968.db2.gz IOZLEJBWCKCSDM-RTBURBONSA-N 1 0 390.531 4.351 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000124715829 823620367 /nfs/dbraw/zinc/62/03/67/823620367.db2.gz UAOLTHALMDHPRT-UHFFFAOYSA-N 1 0 386.442 4.443 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000412153809 823631032 /nfs/dbraw/zinc/63/10/32/823631032.db2.gz GUTZGGYNTXAOFO-GSLIJJQTSA-N 1 0 399.538 4.176 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000412237690 823638468 /nfs/dbraw/zinc/63/84/68/823638468.db2.gz VQFSQCPVIFXIIO-BJKOFHAPSA-N 1 0 399.538 4.176 20 30 GIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000461447378 823639662 /nfs/dbraw/zinc/63/96/62/823639662.db2.gz IETANTXXEBXIPY-UHFFFAOYSA-N 1 0 388.490 4.095 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000125016995 823645402 /nfs/dbraw/zinc/64/54/02/823645402.db2.gz GHNLOAWECCXVMN-KRWDZBQOSA-N 1 0 386.565 4.421 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063300353 823661142 /nfs/dbraw/zinc/66/11/42/823661142.db2.gz YSMWKZOQHKYOEQ-KRWDZBQOSA-N 1 0 391.298 4.293 20 30 GIEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCCC2)cc1 ZINC000125319090 823667524 /nfs/dbraw/zinc/66/75/24/823667524.db2.gz OLWNZOJICZEIAE-JOCHJYFZSA-N 1 0 392.503 4.110 20 30 GIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1OC ZINC000191367617 823677293 /nfs/dbraw/zinc/67/72/93/823677293.db2.gz ANYHNPMCROFAQN-IPELMVKDSA-N 1 0 389.565 4.203 20 30 GIEDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000063522169 823677387 /nfs/dbraw/zinc/67/73/87/823677387.db2.gz XUANMGHNOJMDPD-GFCCVEGCSA-N 1 0 389.471 4.408 20 30 GIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461727112 823688256 /nfs/dbraw/zinc/68/82/56/823688256.db2.gz NSKIXZNAVRNYMY-HXUWFJFHSA-N 1 0 397.567 4.072 20 30 GIEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000063706616 823690351 /nfs/dbraw/zinc/69/03/51/823690351.db2.gz HGXULKSKJQZRFH-KRWDZBQOSA-N 1 0 379.529 4.170 20 30 GIEDRO C=C(C)Cn1c(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000413002452 823699463 /nfs/dbraw/zinc/69/94/63/823699463.db2.gz UOZIBVJLVKFVEL-FQEVSTJZSA-N 1 0 391.544 4.283 20 30 GIEDRO CC1([C@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OCCO1 ZINC000191611140 823712248 /nfs/dbraw/zinc/71/22/48/823712248.db2.gz GWKBIUOMDYBUCC-QHCPKHFHSA-N 1 0 390.527 4.361 20 30 GIEDRO Cn1cc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1C#N ZINC000191618822 823714780 /nfs/dbraw/zinc/71/47/80/823714780.db2.gz UNPFEEPRVYLCRO-GOSISDBHSA-N 1 0 376.273 4.429 20 30 GIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000163615306 823728065 /nfs/dbraw/zinc/72/80/65/823728065.db2.gz MSUWPEHBXROSNZ-LJQANCHMSA-N 1 0 375.516 4.323 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461910200 823750285 /nfs/dbraw/zinc/75/02/85/823750285.db2.gz URSVUQVOWUXAPD-RBUKOAKNSA-N 1 0 375.516 4.210 20 30 GIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461961284 823772563 /nfs/dbraw/zinc/77/25/63/823772563.db2.gz YGKLKIQVFBITTR-MAUKXSAKSA-N 1 0 397.350 4.149 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000064229587 823775984 /nfs/dbraw/zinc/77/59/84/823775984.db2.gz VWYAASLWCZDTSB-UHFFFAOYSA-N 1 0 378.520 4.132 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000462001012 823790337 /nfs/dbraw/zinc/79/03/37/823790337.db2.gz RMIADDYGNBSEAT-HDICACEKSA-N 1 0 377.488 4.257 20 30 GIEDRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361545 823800665 /nfs/dbraw/zinc/80/06/65/823800665.db2.gz AQHAUZDIKQMUAY-UHFFFAOYSA-N 1 0 390.940 4.080 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000164403714 823801196 /nfs/dbraw/zinc/80/11/96/823801196.db2.gz JZQJXWKLKBZQAZ-SFHVURJKSA-N 1 0 383.492 4.413 20 30 GIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574778109 823824249 /nfs/dbraw/zinc/82/42/49/823824249.db2.gz LXXSYMSAMFCFFP-QHCPKHFHSA-N 1 0 377.532 4.155 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000574804077 823831789 /nfs/dbraw/zinc/83/17/89/823831789.db2.gz QDXXMUGWMFOJKT-HMXCVIKNSA-N 1 0 384.907 4.072 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1OCCCC#N ZINC000064614593 823853075 /nfs/dbraw/zinc/85/30/75/823853075.db2.gz HBIYTJGOBXYIIL-UHFFFAOYSA-N 1 0 389.293 4.430 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000165624222 823855992 /nfs/dbraw/zinc/85/59/92/823855992.db2.gz OKDXGGOKMODBBX-IBGZPJMESA-N 1 0 398.304 4.486 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192142185 823877542 /nfs/dbraw/zinc/87/75/42/823877542.db2.gz PWMKJKPBILAGHK-ZWKOTPCHSA-N 1 0 393.231 4.219 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000064742923 823877750 /nfs/dbraw/zinc/87/77/50/823877750.db2.gz SDYQAFSAIZGKOT-QGZVFWFLSA-N 1 0 392.503 4.263 20 30 GIEDRO CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462250031 823897832 /nfs/dbraw/zinc/89/78/32/823897832.db2.gz YHKHGLMECXHKIC-MSYCTHLASA-N 1 0 375.516 4.346 20 30 GIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(N2CCCCC2)cc1 ZINC000126633597 823916088 /nfs/dbraw/zinc/91/60/88/823916088.db2.gz AARRMQZTXSXGEY-UHFFFAOYSA-N 1 0 376.504 4.009 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000126656307 823920969 /nfs/dbraw/zinc/92/09/69/823920969.db2.gz QDBLXWISKLSTEO-SFHVURJKSA-N 1 0 395.890 4.314 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c2ccccc21 ZINC000575504851 823974818 /nfs/dbraw/zinc/97/48/18/823974818.db2.gz OBVREPUPAXAYPI-SJLPKXTDSA-N 1 0 378.447 4.135 20 30 GIEDRO CCOc1ccc([C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000126920287 823980881 /nfs/dbraw/zinc/98/08/81/823980881.db2.gz UKOLABQBLHPGCE-NFBKMPQASA-N 1 0 382.504 4.376 20 30 GIEDRO C[NH+](C)C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000575817343 824002489 /nfs/dbraw/zinc/00/24/89/824002489.db2.gz RZNHPDDDRKXKRE-KRWDZBQOSA-N 1 0 387.915 4.193 20 30 GIEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000127076214 824012538 /nfs/dbraw/zinc/01/25/38/824012538.db2.gz JSMRQAXHQZPSAD-LJQANCHMSA-N 1 0 384.479 4.194 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1OCC ZINC000414583203 824015911 /nfs/dbraw/zinc/01/59/11/824015911.db2.gz RZYXZJIFCLLYCA-ZBFHGGJFSA-N 1 0 398.341 4.053 20 30 GIEDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000575889822 824020754 /nfs/dbraw/zinc/02/07/54/824020754.db2.gz PUIBSCOIFJIGGT-DNQXCXABSA-N 1 0 375.516 4.345 20 30 GIEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915679 824049487 /nfs/dbraw/zinc/04/94/87/824049487.db2.gz ZKJNZYOAYBOTMS-HKUYNNGSSA-N 1 0 384.911 4.490 20 30 GIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629950 719095555 /nfs/dbraw/zinc/09/55/55/719095555.db2.gz UMYGLFDUNJQARK-LADGPHEKSA-N 1 0 395.510 4.116 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)cc(C#N)n2)CC3)cs1 ZINC001164694118 719807145 /nfs/dbraw/zinc/80/71/45/719807145.db2.gz VBEZQPOODTYXEI-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)C1 ZINC001165039739 721899733 /nfs/dbraw/zinc/89/97/33/721899733.db2.gz ZTWKZGCDJSTDNM-LBPRGKRZSA-N 1 0 399.272 4.489 20 30 GIEDRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165051964 722000344 /nfs/dbraw/zinc/00/03/44/722000344.db2.gz KQAYNEBDOHBRNV-UHFFFAOYSA-N 1 0 377.266 4.116 20 30 GIEDRO CC[NH+](CC)C1CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001165052719 722003298 /nfs/dbraw/zinc/00/32/98/722003298.db2.gz DJVSMEMKHKETOX-UHFFFAOYSA-N 1 0 387.890 4.118 20 30 GIEDRO N#Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164996661 722207668 /nfs/dbraw/zinc/20/76/68/722207668.db2.gz UXPVPRGPVWNZQD-XMMPIXPASA-N 1 0 386.474 4.490 20 30 GIEDRO N#Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164996659 722207694 /nfs/dbraw/zinc/20/76/94/722207694.db2.gz UXPVPRGPVWNZQD-DEOSSOPVSA-N 1 0 386.474 4.490 20 30 GIEDRO C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630563 823066938 /nfs/dbraw/zinc/06/69/38/823066938.db2.gz KKKKOWDSGYCHFY-CZTZKLFOSA-N 1 0 382.552 4.374 20 30 GIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000570700784 823073516 /nfs/dbraw/zinc/07/35/16/823073516.db2.gz VQJFJMHLZLXPBM-VWLOTQADSA-N 1 0 399.542 4.372 20 30 GIEDRO C=CCC1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000458742975 823080564 /nfs/dbraw/zinc/08/05/64/823080564.db2.gz NWRFEHSPCKMKTK-UHFFFAOYSA-N 1 0 387.490 4.370 20 30 GIEDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000187546868 823086433 /nfs/dbraw/zinc/08/64/33/823086433.db2.gz ZZBHHXUXOJRVBN-HXUWFJFHSA-N 1 0 396.487 4.390 20 30 GIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458801190 823088037 /nfs/dbraw/zinc/08/80/37/823088037.db2.gz MYUUALDTXIHIOK-QFIPXVFZSA-N 1 0 378.520 4.195 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000176015211 823096343 /nfs/dbraw/zinc/09/63/43/823096343.db2.gz RNMOKYJALBNUMQ-UHFFFAOYSA-N 1 0 389.952 4.137 20 30 GIEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000458843490 823096549 /nfs/dbraw/zinc/09/65/49/823096549.db2.gz PPAANHOJZAJJDG-YADHBBJMSA-N 1 0 394.519 4.032 20 30 GIEDRO CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459021442 823117753 /nfs/dbraw/zinc/11/77/53/823117753.db2.gz XFEJPXIBJUGLMG-ILWGZMRPSA-N 1 0 382.552 4.155 20 30 GIEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1F ZINC000571020025 823121088 /nfs/dbraw/zinc/12/10/88/823121088.db2.gz QNYAJSKJCALXTB-UHFFFAOYSA-N 1 0 394.494 4.073 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000121357116 823169773 /nfs/dbraw/zinc/16/97/73/823169773.db2.gz PGQYPUVMDJYWTE-SFHVURJKSA-N 1 0 392.434 4.136 20 30 GIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000571601744 823206185 /nfs/dbraw/zinc/20/61/85/823206185.db2.gz ZCRKELVGYLPVGZ-XLIONFOSSA-N 1 0 389.478 4.376 20 30 GIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121756903 823244427 /nfs/dbraw/zinc/24/44/27/823244427.db2.gz MDTRJEWREYSOBO-AWEZNQCLSA-N 1 0 379.430 4.257 20 30 GIEDRO COc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000121779143 823248843 /nfs/dbraw/zinc/24/88/43/823248843.db2.gz VRQJLWKNBRAULC-VCOZGABYSA-N 1 0 375.472 4.205 20 30 GIEDRO COc1ccccc1[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCCC1 ZINC000121783259 823250143 /nfs/dbraw/zinc/25/01/43/823250143.db2.gz HGFWLCHCGVJBJJ-MNQDVBFDSA-N 1 0 375.472 4.205 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000571958133 823260410 /nfs/dbraw/zinc/26/04/10/823260410.db2.gz WCMHTAAWRQSGEP-GFCCVEGCSA-N 1 0 390.256 4.139 20 30 GIEDRO N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000176670802 823263635 /nfs/dbraw/zinc/26/36/35/823263635.db2.gz DDKAQOMGTCFRPZ-UHFFFAOYSA-N 1 0 394.494 4.073 20 30 GIEDRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000007686828 817895138 /nfs/dbraw/zinc/89/51/38/817895138.db2.gz BGDXBAOGIXWOAD-UHFFFAOYSA-N 1 0 397.544 4.358 20 30 GIEDRO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000007977064 817972810 /nfs/dbraw/zinc/97/28/10/817972810.db2.gz LMCONLVEAPQSIP-UHFFFAOYSA-N 1 0 376.504 4.373 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1F ZINC000008241091 818021940 /nfs/dbraw/zinc/02/19/40/818021940.db2.gz IRVHOBJRJWCYQR-GFCCVEGCSA-N 1 0 389.471 4.456 20 30 GIEDRO C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC000057714242 823324228 /nfs/dbraw/zinc/32/42/28/823324228.db2.gz INAWXLFPCWHBEB-INIZCTEOSA-N 1 0 379.529 4.063 20 30 GIEDRO C[N@H+](CCOc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016372603 818429749 /nfs/dbraw/zinc/42/97/49/818429749.db2.gz IOBNDWJDYMMUJC-UHFFFAOYSA-N 1 0 397.544 4.228 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473385 823346335 /nfs/dbraw/zinc/34/63/35/823346335.db2.gz RYIKTDNXDREJNA-LAUBAEHRSA-N 1 0 394.494 4.022 20 30 GIEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000572583750 823365488 /nfs/dbraw/zinc/36/54/88/823365488.db2.gz ISQQGVCNLUAJCA-HXUWFJFHSA-N 1 0 399.336 4.100 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CCC)cc1 ZINC000022687757 818844507 /nfs/dbraw/zinc/84/45/07/818844507.db2.gz ZTBGJAHJZIWKRE-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cc1 ZINC000022731186 818851962 /nfs/dbraw/zinc/85/19/62/818851962.db2.gz ZJAUPJPKYLFJBC-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)NCCOC)cc1 ZINC000022793183 818861396 /nfs/dbraw/zinc/86/13/96/818861396.db2.gz ZTICCHNTIXNISX-UHFFFAOYSA-O 1 0 399.580 4.009 20 30 GIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000410009409 823370271 /nfs/dbraw/zinc/37/02/71/823370271.db2.gz JKBJFHLSVHWXFQ-UHFFFAOYSA-N 1 0 386.858 4.137 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)cc1 ZINC000023604241 818963930 /nfs/dbraw/zinc/96/39/30/818963930.db2.gz JYIWGVKWEPKDBX-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(Oc3ccccc3)cc2)C(=S)NC)cc1 ZINC000024566599 819071938 /nfs/dbraw/zinc/07/19/38/819071938.db2.gz GHLZLYJPESWIAL-UHFFFAOYSA-O 1 0 391.516 4.487 20 30 GIEDRO CC(C)[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1 ZINC000058398306 823385877 /nfs/dbraw/zinc/38/58/77/823385877.db2.gz XTVWPEPHZSNCIV-UHFFFAOYSA-N 1 0 383.293 4.379 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000058396965 823385895 /nfs/dbraw/zinc/38/58/95/823385895.db2.gz XLAWLKFKEVDCHZ-UHFFFAOYSA-N 1 0 388.515 4.332 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000122699342 823396947 /nfs/dbraw/zinc/39/69/47/823396947.db2.gz ZHXCGNQRIYMQHH-KBPBESRZSA-N 1 0 391.393 4.177 20 30 GIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1OC ZINC000058476755 823397234 /nfs/dbraw/zinc/39/72/34/823397234.db2.gz JWHRDCAPYIXXDQ-UHFFFAOYSA-N 1 0 383.488 4.099 20 30 GIEDRO C[C@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000122893048 823430034 /nfs/dbraw/zinc/43/00/34/823430034.db2.gz GXTDAPVPLOFABI-GFCCVEGCSA-N 1 0 392.322 4.404 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460556225 823431330 /nfs/dbraw/zinc/43/13/30/823431330.db2.gz SFSADHYZPWYXFA-RXVVDRJESA-N 1 0 379.552 4.221 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000025398580 819975060 /nfs/dbraw/zinc/97/50/60/819975060.db2.gz UTONSOSYEZHYQF-UHFFFAOYSA-N 1 0 396.541 4.438 20 30 GIEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000026094084 820057174 /nfs/dbraw/zinc/05/71/74/820057174.db2.gz HKGBDVNMMIGQIX-UHFFFAOYSA-N 1 0 383.517 4.124 20 30 GIEDRO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000026329403 820084793 /nfs/dbraw/zinc/08/47/93/820084793.db2.gz CPPCUASFWIPPBH-UHFFFAOYSA-N 1 0 383.495 4.286 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C)cc1 ZINC000027054669 820186350 /nfs/dbraw/zinc/18/63/50/820186350.db2.gz VGKJTIOSRGAZJG-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO CCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(C(CC)CC)cc1 ZINC000027057180 820186374 /nfs/dbraw/zinc/18/63/74/820186374.db2.gz IHNPKOKVGFIHSA-UHFFFAOYSA-O 1 0 385.553 4.435 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1F)[n+]1cccc(C)c1 ZINC000027161660 820203472 /nfs/dbraw/zinc/20/34/72/820203472.db2.gz FCBYNCSUQCBGNW-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2ccccc2)cc1 ZINC000027181516 820206561 /nfs/dbraw/zinc/20/65/61/820206561.db2.gz IJDGQTWZTDQOAL-UHFFFAOYSA-O 1 0 389.500 4.268 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(N(C)C)cc1 ZINC000027317599 820223785 /nfs/dbraw/zinc/22/37/85/820223785.db2.gz DXASFLGDPPYLNR-UHFFFAOYSA-O 1 0 398.596 4.212 20 30 GIEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCCC1 ZINC000058860068 823463409 /nfs/dbraw/zinc/46/34/09/823463409.db2.gz JOKXIIDEKWWPEW-IBGZPJMESA-N 1 0 398.894 4.179 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1cccc(C)c1 ZINC000027480235 820249974 /nfs/dbraw/zinc/24/99/74/820249974.db2.gz XJEONASMAQMPOE-UHFFFAOYSA-O 1 0 387.594 4.181 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCCCSC)[n+]2ccc(C)cc2)cc1 ZINC000027481412 820250623 /nfs/dbraw/zinc/25/06/23/820250623.db2.gz INKHLDVWIDYGMJ-UHFFFAOYSA-O 1 0 387.594 4.126 20 30 GIEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000027487034 820252071 /nfs/dbraw/zinc/25/20/71/820252071.db2.gz BXTVAPROVKHZSD-KDOFPFPSSA-O 1 0 389.491 4.359 20 30 GIEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000027487037 820252176 /nfs/dbraw/zinc/25/21/76/820252176.db2.gz BXTVAPROVKHZSD-RDTXWAMCSA-O 1 0 389.491 4.359 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000177475123 823471043 /nfs/dbraw/zinc/47/10/43/823471043.db2.gz APPGTVYGNCJVEZ-OTWHNJEPSA-N 1 0 379.504 4.112 20 30 GIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1C ZINC000028793522 820358296 /nfs/dbraw/zinc/35/82/96/820358296.db2.gz JADQIAGMKHJRDQ-UHFFFAOYSA-O 1 0 392.504 4.173 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573296003 823477358 /nfs/dbraw/zinc/47/73/58/823477358.db2.gz BPHNARNHSYGNSG-CDNTWCJUSA-N 1 0 381.545 4.021 20 30 GIEDRO Cc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1I ZINC000573292130 823476987 /nfs/dbraw/zinc/47/69/87/823476987.db2.gz PDGYPXSMJTWFTB-GOSISDBHSA-N 1 0 388.252 4.248 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccs2)Cc2ccccc2OC)CC1 ZINC000177505163 823478622 /nfs/dbraw/zinc/47/86/22/823478622.db2.gz VKYDSIJLRGTPSI-UHFFFAOYSA-N 1 0 399.560 4.119 20 30 GIEDRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410383676 823482245 /nfs/dbraw/zinc/48/22/45/823482245.db2.gz SEBUIESGUODUER-NRFANRHFSA-N 1 0 391.506 4.134 20 30 GIEDRO C=CCC1(C(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c2)CCC1 ZINC000189733778 823483841 /nfs/dbraw/zinc/48/38/41/823483841.db2.gz HCOSKZRVVQASLV-UHFFFAOYSA-N 1 0 391.943 4.097 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1Cl ZINC000029754498 820511093 /nfs/dbraw/zinc/51/10/93/820511093.db2.gz HYIIZLNQFKWORF-OXQOHEQNSA-N 1 0 399.922 4.178 20 30 GIEDRO Cc1ccc(SCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983809 820560458 /nfs/dbraw/zinc/56/04/58/820560458.db2.gz WAUXJJFIRALCSG-UHFFFAOYSA-N 1 0 393.556 4.083 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)cc1 ZINC000029985696 820561304 /nfs/dbraw/zinc/56/13/04/820561304.db2.gz YPEOBXQFPSDSME-VQHVLOKHSA-N 1 0 385.920 4.021 20 30 GIEDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273120 823488767 /nfs/dbraw/zinc/48/87/67/823488767.db2.gz RWVLYBDCFFFJTL-XMSQKQJNSA-N 1 0 393.531 4.060 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(COCc4ccccc4)cc3)n2c1 ZINC000123290128 823491091 /nfs/dbraw/zinc/49/10/91/823491091.db2.gz BFBSNBZHIZYCPW-UHFFFAOYSA-N 1 0 382.467 4.213 20 30 GIEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC000030520935 820629971 /nfs/dbraw/zinc/62/99/71/820629971.db2.gz YROABFSACDKQDH-UHFFFAOYSA-N 1 0 378.476 4.143 20 30 GIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000060330077 823515820 /nfs/dbraw/zinc/51/58/20/823515820.db2.gz OOJJTWNWIGPVFT-UHFFFAOYSA-N 1 0 398.304 4.171 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000032480441 820956467 /nfs/dbraw/zinc/95/64/67/820956467.db2.gz SUEQBRKHWNDPGE-XMMPIXPASA-N 1 0 399.494 4.170 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1OCC ZINC000189989114 823522476 /nfs/dbraw/zinc/52/24/76/823522476.db2.gz MUFIEJYOQOPMGW-DOTOQJQBSA-N 1 0 398.341 4.053 20 30 GIEDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000190006402 823524723 /nfs/dbraw/zinc/52/47/23/823524723.db2.gz ALNIOHGAGOSBJB-UHFFFAOYSA-N 1 0 387.524 4.248 20 30 GIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000177821921 823531081 /nfs/dbraw/zinc/53/10/81/823531081.db2.gz AOWHXVYJIBHKNB-KRWDZBQOSA-N 1 0 381.545 4.361 20 30 GIEDRO CC1(C)CN(C(=O)c2cscc2C#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411019287 823534272 /nfs/dbraw/zinc/53/42/72/823534272.db2.gz MEXKHZGIBYCXQI-NRFANRHFSA-N 1 0 393.556 4.383 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043135923 821366143 /nfs/dbraw/zinc/36/61/43/821366143.db2.gz CQEFMBDSLVBMKM-NRFANRHFSA-N 1 0 394.519 4.300 20 30 GIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000043182616 821375466 /nfs/dbraw/zinc/37/54/66/821375466.db2.gz ZZQCBUKYAPJGQL-QGZVFWFLSA-N 1 0 396.922 4.190 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000180813498 821474242 /nfs/dbraw/zinc/47/42/42/821474242.db2.gz DFVFGIMCGFBQKB-HNAYVOBHSA-N 1 0 399.466 4.022 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814508 821475014 /nfs/dbraw/zinc/47/50/14/821475014.db2.gz KMGUWGFLYDVCPM-RTBURBONSA-N 1 0 396.487 4.388 20 30 GIEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000043996213 821499271 /nfs/dbraw/zinc/49/92/71/821499271.db2.gz SDRGOOLSKVCIOG-UHFFFAOYSA-N 1 0 379.529 4.240 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCCC2)C(=S)NC(C)C ZINC000044557384 821608913 /nfs/dbraw/zinc/60/89/13/821608913.db2.gz DLBZIEDNYQKWOD-UHFFFAOYSA-O 1 0 381.565 4.352 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181121147 821646378 /nfs/dbraw/zinc/64/63/78/821646378.db2.gz IUSMLXKIXHXDTL-CQSZACIVSA-N 1 0 378.398 4.030 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1NC(C)=O ZINC000181214341 821701480 /nfs/dbraw/zinc/70/14/80/821701480.db2.gz NLBQKYZNQYVPOW-CQSZACIVSA-N 1 0 390.405 4.375 20 30 GIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181215102 821702075 /nfs/dbraw/zinc/70/20/75/821702075.db2.gz BQFWMKXHJZGGGC-HNNXBMFYSA-N 1 0 388.389 4.364 20 30 GIEDRO COc1ccc([C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000181424575 821819364 /nfs/dbraw/zinc/81/93/64/821819364.db2.gz WRIBLMHWNJJBRB-DEOSSOPVSA-N 1 0 375.516 4.272 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000181429777 821822391 /nfs/dbraw/zinc/82/23/91/821822391.db2.gz VSNZLFHQMIYMFD-INIZCTEOSA-N 1 0 385.458 4.475 20 30 GIEDRO COc1ccccc1COC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000181551123 821877973 /nfs/dbraw/zinc/87/79/73/821877973.db2.gz RVAOTUNIDQIFLH-UHFFFAOYSA-N 1 0 393.531 4.226 20 30 GIEDRO CCOc1ccc(C2(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCOCC2)cc1 ZINC000181569772 821884003 /nfs/dbraw/zinc/88/40/03/821884003.db2.gz WHPLRDBOBGGOCI-IBGZPJMESA-N 1 0 394.515 4.387 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(OCC#N)cc1 ZINC000181635390 821915146 /nfs/dbraw/zinc/91/51/46/821915146.db2.gz SCZLNYXVHADTKJ-KRWDZBQOSA-N 1 0 386.455 4.087 20 30 GIEDRO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Nc1ccccc1 ZINC000181719413 821959502 /nfs/dbraw/zinc/95/95/02/821959502.db2.gz HULMSCMLTQBTHI-DEOSSOPVSA-N 1 0 376.548 4.249 20 30 GIEDRO CCCC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181735275 821968102 /nfs/dbraw/zinc/96/81/02/821968102.db2.gz JBJFEZYGFIWLLE-UHFFFAOYSA-N 1 0 377.488 4.345 20 30 GIEDRO C[C@H](NC1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCOCC1)c1ccccc1 ZINC000181783906 821990757 /nfs/dbraw/zinc/99/07/57/821990757.db2.gz MJHUAPVDEMQVMS-PMACEKPBSA-N 1 0 393.531 4.140 20 30 GIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805971 822000468 /nfs/dbraw/zinc/00/04/68/822000468.db2.gz ZTQUNYBFUCOKRP-FZKQIMNGSA-N 1 0 383.517 4.185 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821144 822006114 /nfs/dbraw/zinc/00/61/14/822006114.db2.gz MQDABMAMMASKLO-SFHVURJKSA-N 1 0 394.475 4.118 20 30 GIEDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181826181 822008360 /nfs/dbraw/zinc/00/83/60/822008360.db2.gz JGINSLGRLONXSG-UXDRXVOSSA-N 1 0 385.508 4.170 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887438 822026886 /nfs/dbraw/zinc/02/68/86/822026886.db2.gz OLEDWVLDUQIILV-JKSUJKDBSA-N 1 0 380.492 4.046 20 30 GIEDRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCC#N)cc1 ZINC000181943405 822041917 /nfs/dbraw/zinc/04/19/17/822041917.db2.gz BLRUNZDTXXOJRH-CQSZACIVSA-N 1 0 382.851 4.186 20 30 GIEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)cc2)c1 ZINC000182067349 822080030 /nfs/dbraw/zinc/08/00/30/822080030.db2.gz USBZWTSDFQUXIA-MHECFPHRSA-N 1 0 391.515 4.033 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(c4ccc(F)cc4F)CC3)CC2)cc1 ZINC000182089230 822088725 /nfs/dbraw/zinc/08/87/25/822088725.db2.gz JINDXEKVCUYDLH-UHFFFAOYSA-N 1 0 381.470 4.122 20 30 GIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000182552110 822298350 /nfs/dbraw/zinc/29/83/50/822298350.db2.gz HSFGYEXPZYJNGP-AWEZNQCLSA-N 1 0 376.378 4.246 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561212 822302776 /nfs/dbraw/zinc/30/27/76/822302776.db2.gz KCLWJJBWPIJCRK-GOSISDBHSA-N 1 0 379.504 4.014 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176698 822343171 /nfs/dbraw/zinc/34/31/71/822343171.db2.gz GZOQJUXRIJUCQY-DLBZAZTESA-N 1 0 385.533 4.001 20 30 GIEDRO CCc1ccc(C)[n+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700383 822354574 /nfs/dbraw/zinc/35/45/74/822354574.db2.gz QVYCRMYBVBYAGR-IBGZPJMESA-N 1 0 377.430 4.227 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938661 822396340 /nfs/dbraw/zinc/39/63/40/822396340.db2.gz IEBOJIRKOFUWBF-AEFFLSMTSA-N 1 0 384.524 4.120 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683004 822402652 /nfs/dbraw/zinc/40/26/52/822402652.db2.gz OCGIZUNZLDZNRN-CVEARBPZSA-N 1 0 398.438 4.028 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cc2ccccc2o1)C(=S)NCCSC ZINC000178904372 822420515 /nfs/dbraw/zinc/42/05/15/822420515.db2.gz IBIYRQLZHUDRRL-UHFFFAOYSA-O 1 0 399.561 4.174 20 30 GIEDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179009392 822429481 /nfs/dbraw/zinc/42/94/81/822429481.db2.gz SNEKWGLAVUEWRL-UHFFFAOYSA-N 1 0 388.515 4.285 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]CCc3csc(-c4ccc(Cl)cc4)n3)n2c1 ZINC000179049372 822433418 /nfs/dbraw/zinc/43/34/18/822433418.db2.gz TUKAXDPAQKRCRF-UHFFFAOYSA-N 1 0 393.903 4.315 20 30 GIEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000183210422 822442127 /nfs/dbraw/zinc/44/21/27/822442127.db2.gz SAAZGNLNICVENE-QFIPXVFZSA-N 1 0 390.462 4.256 20 30 GIEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046280031 822457702 /nfs/dbraw/zinc/45/77/02/822457702.db2.gz GOCOORBWYGJBPO-GOSISDBHSA-N 1 0 394.519 4.183 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C1 ZINC000454329552 822458619 /nfs/dbraw/zinc/45/86/19/822458619.db2.gz SMLKQMFUJQXVLO-OZIGNCPNSA-N 1 0 382.552 4.046 20 30 GIEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 ZINC000454568149 822498125 /nfs/dbraw/zinc/49/81/25/822498125.db2.gz PCQUKUZUEVMYMU-UHFFFAOYSA-N 1 0 378.476 4.346 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179614358 822513156 /nfs/dbraw/zinc/51/31/56/822513156.db2.gz XKQIOWDPDNBERO-NEPJUHHUSA-N 1 0 377.391 4.047 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179717734 822534307 /nfs/dbraw/zinc/53/43/07/822534307.db2.gz QANRVSMZVLGQFQ-MRXNPFEDSA-N 1 0 379.451 4.014 20 30 GIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000179769602 822548903 /nfs/dbraw/zinc/54/89/03/822548903.db2.gz BLHBMSSRWUCMIH-UHFFFAOYSA-N 1 0 380.488 4.111 20 30 GIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000047187821 822552570 /nfs/dbraw/zinc/55/25/70/822552570.db2.gz DOODOOQMNBCVDT-LJQANCHMSA-N 1 0 375.516 4.467 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000455000995 822568307 /nfs/dbraw/zinc/56/83/07/822568307.db2.gz YXWKMQRUBNJROC-MRXNPFEDSA-N 1 0 382.895 4.197 20 30 GIEDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179933511 822579841 /nfs/dbraw/zinc/57/98/41/822579841.db2.gz PDJMADSMWHCODK-UHFFFAOYSA-N 1 0 387.443 4.032 20 30 GIEDRO C=CCN(CCC#N)C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000455078720 822586216 /nfs/dbraw/zinc/58/62/16/822586216.db2.gz SALNAFPQXGANKB-QFIPXVFZSA-N 1 0 398.551 4.400 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000179967463 822587344 /nfs/dbraw/zinc/58/73/44/822587344.db2.gz WHFIECATJGPBAJ-JOCHJYFZSA-N 1 0 379.479 4.165 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000179999410 822593161 /nfs/dbraw/zinc/59/31/61/822593161.db2.gz JQUFFSHSAFTMTI-UHFFFAOYSA-N 1 0 379.407 4.246 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180001449 822593268 /nfs/dbraw/zinc/59/32/68/822593268.db2.gz NNHZPWHNZSIYFI-TZIWHRDSSA-N 1 0 391.563 4.045 20 30 GIEDRO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180028494 822600361 /nfs/dbraw/zinc/60/03/61/822600361.db2.gz TWNVYMSZUOIYCR-UHFFFAOYSA-N 1 0 387.443 4.032 20 30 GIEDRO CCNC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000047703968 822601224 /nfs/dbraw/zinc/60/12/24/822601224.db2.gz ULVAJPNHAJELBJ-UHFFFAOYSA-N 1 0 399.494 4.177 20 30 GIEDRO Cn1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000180036011 822601998 /nfs/dbraw/zinc/60/19/98/822601998.db2.gz DNDBDGAHXSMLIS-UHFFFAOYSA-N 1 0 399.523 4.415 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000455178381 822602622 /nfs/dbraw/zinc/60/26/22/822602622.db2.gz FIVAAZBBGUOWJW-UHFFFAOYSA-N 1 0 393.556 4.314 20 30 GIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180055658 822605430 /nfs/dbraw/zinc/60/54/30/822605430.db2.gz DRMKVNCSKDJTGI-QGZVFWFLSA-N 1 0 380.492 4.093 20 30 GIEDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180126408 822620834 /nfs/dbraw/zinc/62/08/34/822620834.db2.gz WNKYLQAPNMTBLY-ZJSXRUAMSA-N 1 0 386.499 4.216 20 30 GIEDRO C=CC[C@H](C)[NH2+][C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000180173923 822632453 /nfs/dbraw/zinc/63/24/53/822632453.db2.gz NOZWXUOXGXJAJY-BBRMVZONSA-N 1 0 395.288 4.151 20 30 GIEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184514827 822648684 /nfs/dbraw/zinc/64/86/84/822648684.db2.gz NMAHEBKCFGTSSY-ZDUSSCGKSA-N 1 0 390.940 4.185 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000184527523 822651266 /nfs/dbraw/zinc/65/12/66/822651266.db2.gz PTQGKJREWWGOAH-ZDUSSCGKSA-N 1 0 382.514 4.423 20 30 GIEDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000180267701 822651413 /nfs/dbraw/zinc/65/14/13/822651413.db2.gz ZGQQABOXOXITOV-HXUWFJFHSA-N 1 0 380.879 4.089 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184538087 822653584 /nfs/dbraw/zinc/65/35/84/822653584.db2.gz HROKXSRRDFVHRM-HNNXBMFYSA-N 1 0 376.485 4.361 20 30 GIEDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1F ZINC000180280173 822653897 /nfs/dbraw/zinc/65/38/97/822653897.db2.gz QOQHLXIMGXSNGD-LJQANCHMSA-N 1 0 378.451 4.045 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000184541055 822653984 /nfs/dbraw/zinc/65/39/84/822653984.db2.gz UGGPYTAUQBKYPH-MRXNPFEDSA-N 1 0 396.560 4.420 20 30 GIEDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000180282229 822654684 /nfs/dbraw/zinc/65/46/84/822654684.db2.gz JCOWUPYXUZPEIU-CYFREDJKSA-N 1 0 399.542 4.101 20 30 GIEDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000180283885 822655146 /nfs/dbraw/zinc/65/51/46/822655146.db2.gz DOIPIXZBGKAGRA-FQEVSTJZSA-N 1 0 378.451 4.045 20 30 GIEDRO COCCC1(C[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCCC1 ZINC000184730643 822683413 /nfs/dbraw/zinc/68/34/13/822683413.db2.gz AZESPRUNQCQPQO-OAHLLOKOSA-N 1 0 389.565 4.012 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000048808878 822683960 /nfs/dbraw/zinc/68/39/60/822683960.db2.gz XKRKXFKRFPSZLO-IBGZPJMESA-N 1 0 390.531 4.351 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180541166 822698894 /nfs/dbraw/zinc/69/88/94/822698894.db2.gz LDLAYTUFJBHSBU-LJQANCHMSA-N 1 0 379.548 4.358 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455697254 822705306 /nfs/dbraw/zinc/70/53/06/822705306.db2.gz DLORAYGISPBPTE-OXQOHEQNSA-N 1 0 396.922 4.438 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724530 822714281 /nfs/dbraw/zinc/71/42/81/822714281.db2.gz CDUDFJJHTNALGI-YWZLYKJASA-N 1 0 382.895 4.048 20 30 GIEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+](C)C)cc1 ZINC000455755821 822720526 /nfs/dbraw/zinc/72/05/26/822720526.db2.gz RPCCWHSFPDVMMH-HXUWFJFHSA-N 1 0 384.911 4.393 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000455768075 822722722 /nfs/dbraw/zinc/72/27/22/822722722.db2.gz JYCVGDPFGCMKBU-QGZVFWFLSA-N 1 0 384.524 4.075 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455775440 822724398 /nfs/dbraw/zinc/72/43/98/822724398.db2.gz DEANLPXIRWIGAR-HNNXBMFYSA-N 1 0 389.931 4.115 20 30 GIEDRO N#CCc1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000455937289 822753081 /nfs/dbraw/zinc/75/30/81/822753081.db2.gz DBECKIJFLNILOR-HXUWFJFHSA-N 1 0 382.895 4.365 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000455944102 822755076 /nfs/dbraw/zinc/75/50/76/822755076.db2.gz MJSHNLMRJDTHCR-RTBURBONSA-N 1 0 392.528 4.458 20 30 GIEDRO COc1ccc(Oc2cc(C[NH2+]Cc3ccc(OC)c(C#N)c3)ccn2)cc1 ZINC000174278579 822761825 /nfs/dbraw/zinc/76/18/25/822761825.db2.gz PXENTFXAQMEJQA-UHFFFAOYSA-N 1 0 375.428 4.053 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000456009468 822765860 /nfs/dbraw/zinc/76/58/60/822765860.db2.gz SXJXZGVCQULXRV-UHFFFAOYSA-N 1 0 376.504 4.243 20 30 GIEDRO CSc1ccc([C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000456032594 822769038 /nfs/dbraw/zinc/76/90/38/822769038.db2.gz OBUZWARFTLKGIU-OAQYLSRUSA-N 1 0 395.572 4.268 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000185358641 822770843 /nfs/dbraw/zinc/77/08/43/822770843.db2.gz PLBDTNGWBGTJMY-GOSISDBHSA-N 1 0 390.409 4.196 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000174386892 822781904 /nfs/dbraw/zinc/78/19/04/822781904.db2.gz AINGMWICBXJBKQ-JOCHJYFZSA-N 1 0 393.531 4.130 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)c(F)c1 ZINC000185447795 822785449 /nfs/dbraw/zinc/78/54/49/822785449.db2.gz QFFADESGAXPGPO-HBGVWJBISA-N 1 0 389.490 4.240 20 30 GIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1OCCCC#N ZINC000174435835 822789785 /nfs/dbraw/zinc/78/97/85/822789785.db2.gz FSGAAQQSBJIFHV-GOSISDBHSA-N 1 0 390.487 4.414 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000174481205 822795401 /nfs/dbraw/zinc/79/54/01/822795401.db2.gz JVRJCNJYXVQOJG-MRXNPFEDSA-N 1 0 397.906 4.418 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185568143 822797369 /nfs/dbraw/zinc/79/73/69/822797369.db2.gz WRLKISXWGRYJRJ-NUJGCVRESA-N 1 0 395.528 4.174 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)Nc2ccccc2)cc1 ZINC000185574197 822798189 /nfs/dbraw/zinc/79/81/89/822798189.db2.gz HUXJXHGYLZUFQD-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)oc21 ZINC000052712323 822807991 /nfs/dbraw/zinc/80/79/91/822807991.db2.gz OVKMYAUFVMWXMS-LSDHHAIUSA-N 1 0 377.444 4.381 20 30 GIEDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000174604468 822811010 /nfs/dbraw/zinc/81/10/10/822811010.db2.gz QHUXAUXMQAOVOF-SFHVURJKSA-N 1 0 390.487 4.029 20 30 GIEDRO C[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769164 822819543 /nfs/dbraw/zinc/81/95/43/822819543.db2.gz DOSFMGXKZKAVQU-YOEHRIQHSA-N 1 0 376.342 4.063 20 30 GIEDRO CC#CCCCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000185950182 822836348 /nfs/dbraw/zinc/83/63/48/822836348.db2.gz SFHMQRATPKKYMP-LJQANCHMSA-N 1 0 380.454 4.093 20 30 GIEDRO CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000053976568 822855132 /nfs/dbraw/zinc/85/51/32/822855132.db2.gz QHUOSWUCCMKQSF-HSZRJFAPSA-N 1 0 390.531 4.317 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc4ccccc4c3)CC2)cc1 ZINC000054148703 822864256 /nfs/dbraw/zinc/86/42/56/822864256.db2.gz RZQNJILBSMHPCG-UHFFFAOYSA-N 1 0 397.522 4.379 20 30 GIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Br)ccc1O ZINC000186266084 822867023 /nfs/dbraw/zinc/86/70/23/822867023.db2.gz WBTZAXOOYRNXIX-KRWDZBQOSA-N 1 0 375.266 4.298 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Cl ZINC000457470661 822878224 /nfs/dbraw/zinc/87/82/24/822878224.db2.gz DTIRKXKFIPOTRM-TXPKVOOTSA-N 1 0 376.932 4.104 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000054538506 822894214 /nfs/dbraw/zinc/89/42/14/822894214.db2.gz UURXULBDJDVKIL-UHFFFAOYSA-N 1 0 398.482 4.080 20 30 GIEDRO C=C(C)[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000186452049 822897904 /nfs/dbraw/zinc/89/79/04/822897904.db2.gz QJINOMBYUDOEQE-YJYMSZOUSA-N 1 0 380.460 4.304 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000175181359 822899055 /nfs/dbraw/zinc/89/90/55/822899055.db2.gz AELLVJCRVNPRHH-UHFFFAOYSA-N 1 0 377.513 4.066 20 30 GIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000569337021 822908780 /nfs/dbraw/zinc/90/87/80/822908780.db2.gz YJCPVXRPZTWDMR-PXNSSMCTSA-N 1 0 379.479 4.177 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC(C)(C)C)cc1 ZINC000055014455 822931392 /nfs/dbraw/zinc/93/13/92/822931392.db2.gz SFKOAYWGRPMZDD-UHFFFAOYSA-O 1 0 381.565 4.352 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(CC)cc2)cc1 ZINC000055014190 822931401 /nfs/dbraw/zinc/93/14/01/822931401.db2.gz FSZCOLBQECJAMY-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000175381398 822952924 /nfs/dbraw/zinc/95/29/24/822952924.db2.gz ZUHCZVLDBLRRQG-QKLQHJQFSA-O 1 0 397.539 4.447 20 30 GIEDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000186804608 822958358 /nfs/dbraw/zinc/95/83/58/822958358.db2.gz CQEXABJOPHPDAE-UHFFFAOYSA-N 1 0 383.879 4.170 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)Nc2ccccc2)cc1 ZINC000186955905 822986355 /nfs/dbraw/zinc/98/63/55/822986355.db2.gz YBLFRHYFETUFHZ-UHFFFAOYSA-O 1 0 380.493 4.192 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(C)c(F)c1)[n+]1ccc(C)cc1 ZINC000186958666 822986994 /nfs/dbraw/zinc/98/69/94/822986994.db2.gz LBZQYYNEQXDYRG-UHFFFAOYSA-O 1 0 398.483 4.386 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000569951309 822989275 /nfs/dbraw/zinc/98/92/75/822989275.db2.gz POVOZVULUFYAFK-KSFYIVLOSA-N 1 0 383.467 4.323 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175572516 823000175 /nfs/dbraw/zinc/00/01/75/823000175.db2.gz LTBWKSOBQKFLPT-QFBILLFUSA-N 1 0 378.476 4.297 20 30 GIEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000175617792 823007450 /nfs/dbraw/zinc/00/74/50/823007450.db2.gz AUSIKMMHPAUHRI-UHFFFAOYSA-N 1 0 378.476 4.219 20 30 GIEDRO C=CCC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113128 823012462 /nfs/dbraw/zinc/01/24/62/823012462.db2.gz XTSNARLVILDONJ-WMZHIEFXSA-N 1 0 377.532 4.473 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000175708364 823024792 /nfs/dbraw/zinc/02/47/92/823024792.db2.gz HTSXLOJUPALFEU-CHWSQXEVSA-N 1 0 377.366 4.135 20 30 GIEDRO COc1c(Br)cc(C[NH2+]CC2(CC#N)CC2)cc1Br ZINC000570349412 823027549 /nfs/dbraw/zinc/02/75/49/823027549.db2.gz PKUPKVGZTUSGAZ-UHFFFAOYSA-N 1 0 388.103 4.004 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177896674 823543311 /nfs/dbraw/zinc/54/33/11/823543311.db2.gz HCKQGXABTXDDBX-UZLBHIALSA-N 1 0 380.467 4.214 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000177907835 823544798 /nfs/dbraw/zinc/54/47/98/823544798.db2.gz HCQDULOEGJGPPS-LJQANCHMSA-N 1 0 381.358 4.157 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123936941 823553312 /nfs/dbraw/zinc/55/33/12/823553312.db2.gz WUBFADRYBGSOHQ-GCJKJVERSA-N 1 0 399.897 4.093 20 30 GIEDRO Cc1nc(-c2ccccc2)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060722723 823554058 /nfs/dbraw/zinc/55/40/58/823554058.db2.gz YIBHFVRSHCNRHP-UHFFFAOYSA-N 1 0 398.510 4.133 20 30 GIEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OC(F)F)c(-c2ccccc2)n1 ZINC000123970357 823556626 /nfs/dbraw/zinc/55/66/26/823556626.db2.gz GPULGJRICMXBDW-UHFFFAOYSA-N 1 0 382.414 4.355 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]CCOc2ccccc2)cc1OC ZINC000060828777 823560611 /nfs/dbraw/zinc/56/06/11/823560611.db2.gz NHOXQWUBSHBNRO-UHFFFAOYSA-N 1 0 392.293 4.191 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000411396679 823569987 /nfs/dbraw/zinc/56/99/87/823569987.db2.gz KCBMMPWQRRIKMV-XUZZJYLKSA-N 1 0 385.511 4.201 20 30 GIEDRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411427745 823573001 /nfs/dbraw/zinc/57/30/01/823573001.db2.gz UKGAQJKUVJNFGM-LSDHHAIUSA-N 1 0 382.533 4.161 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1OCC ZINC000411437142 823574186 /nfs/dbraw/zinc/57/41/86/823574186.db2.gz JLJZSONGWQBJTR-MRXNPFEDSA-N 1 0 381.476 4.035 20 30 GIEDRO CCCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000411447350 823575305 /nfs/dbraw/zinc/57/53/05/823575305.db2.gz JQGTVFAZEVQXEI-MRXNPFEDSA-N 1 0 381.476 4.035 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(O)c1 ZINC000411450819 823576013 /nfs/dbraw/zinc/57/60/13/823576013.db2.gz GRNBDRDQHIBTRJ-UONOGXRCSA-N 1 0 383.517 4.130 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000411456248 823576874 /nfs/dbraw/zinc/57/68/74/823576874.db2.gz JPTXJYLNJGMWTC-LBPRGKRZSA-N 1 0 375.831 4.039 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H](c3cccnc3)C3CC3)sc2C1 ZINC000411508535 823582474 /nfs/dbraw/zinc/58/24/74/823582474.db2.gz UYXCRRGJEKAPID-SPLOXXLWSA-N 1 0 394.544 4.209 20 30 GIEDRO C=CCOc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000124323571 823587205 /nfs/dbraw/zinc/58/72/05/823587205.db2.gz PKMUJXYFDLLRAI-UHFFFAOYSA-N 1 0 376.460 4.076 20 30 GIEDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604481 823590589 /nfs/dbraw/zinc/59/05/89/823590589.db2.gz BGEZBLNOCIUGDI-RDTXWAMCSA-N 1 0 396.560 4.072 20 30 GIEDRO COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606277 823590746 /nfs/dbraw/zinc/59/07/46/823590746.db2.gz VBROHRVGZPWOBR-OSPHWJPCSA-N 1 0 399.494 4.172 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000411620082 823591332 /nfs/dbraw/zinc/59/13/32/823591332.db2.gz LPKAJEBLUQZQEA-UHFFFAOYSA-N 1 0 391.393 4.310 20 30 GIEDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627023 823593254 /nfs/dbraw/zinc/59/32/54/823593254.db2.gz QAFZHTNIZCXISU-WZONZLPQSA-N 1 0 391.515 4.045 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000461270265 823609697 /nfs/dbraw/zinc/60/96/97/823609697.db2.gz HUBFFFBJUNRRLP-OAQYLSRUSA-N 1 0 391.515 4.491 20 30 GIEDRO C[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000061939884 823619200 /nfs/dbraw/zinc/61/92/00/823619200.db2.gz DQGDIRQLDHGDIC-IERDGZPVSA-N 1 0 396.922 4.409 20 30 GIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014605 823622868 /nfs/dbraw/zinc/62/28/68/823622868.db2.gz XTFBWZYVAXZXSL-JOCHJYFZSA-N 1 0 378.516 4.108 20 30 GIEDRO N#CC[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461426999 823634477 /nfs/dbraw/zinc/63/44/77/823634477.db2.gz KEYDVAADDAKURX-TZRRMPRUSA-N 1 0 387.527 4.054 20 30 GIEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1)CC(C)C ZINC000412235429 823638352 /nfs/dbraw/zinc/63/83/52/823638352.db2.gz SGLJRLZHQGQWRG-XZOQPEGZSA-N 1 0 381.564 4.268 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464455 823673208 /nfs/dbraw/zinc/67/32/08/823673208.db2.gz STDAKNVRLXNGEU-HXUWFJFHSA-N 1 0 383.561 4.358 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3cc(OC)ccc3o2)ccc1OC ZINC000125455108 823677574 /nfs/dbraw/zinc/67/75/74/823677574.db2.gz MNNAATVKUHBMOF-KRWDZBQOSA-N 1 0 380.444 4.421 20 30 GIEDRO CC(C)[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063751065 823693545 /nfs/dbraw/zinc/69/35/45/823693545.db2.gz VCNAARZSIIOTKD-UHFFFAOYSA-N 1 0 387.886 4.220 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191511757 823693798 /nfs/dbraw/zinc/69/37/98/823693798.db2.gz AWRPYIOYMFVYQU-HXUWFJFHSA-N 1 0 393.369 4.157 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762593 823693909 /nfs/dbraw/zinc/69/39/09/823693909.db2.gz YGPZYRRGKYXTNX-QFIPXVFZSA-N 1 0 384.479 4.240 20 30 GIEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000125955334 823752136 /nfs/dbraw/zinc/75/21/36/823752136.db2.gz PITIRMYGDMYNEP-ROUUACIJSA-N 1 0 379.504 4.265 20 30 GIEDRO N#CCCCOc1cccnc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413325536 823752796 /nfs/dbraw/zinc/75/27/96/823752796.db2.gz MDFFXVCMKVQEMK-UHFFFAOYSA-N 1 0 378.476 4.002 20 30 GIEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000461917941 823753274 /nfs/dbraw/zinc/75/32/74/823753274.db2.gz GDMKSIMAEBIZOR-AVRDEDQJSA-N 1 0 391.515 4.014 20 30 GIEDRO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919629 823755106 /nfs/dbraw/zinc/75/51/06/823755106.db2.gz GKLPBRAWMPGGKP-WMZHIEFXSA-N 1 0 375.516 4.251 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1)C[C@H]1CCCCO1 ZINC000461928041 823760542 /nfs/dbraw/zinc/76/05/42/823760542.db2.gz PHLFZVLWCJTUGE-KSEOMHKRSA-N 1 0 398.551 4.280 20 30 GIEDRO Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(Cl)cc1C#N ZINC000461947264 823768359 /nfs/dbraw/zinc/76/83/59/823768359.db2.gz OPQHHMMLJCFAIX-INIZCTEOSA-N 1 0 384.911 4.227 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953697 823770153 /nfs/dbraw/zinc/77/01/53/823770153.db2.gz AYDVAEOFBZTRBR-KBAYOESNSA-N 1 0 396.457 4.080 20 30 GIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461961285 823772638 /nfs/dbraw/zinc/77/26/38/823772638.db2.gz YGKLKIQVFBITTR-QAPCUYQASA-N 1 0 397.350 4.149 20 30 GIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2cccn2)cc1 ZINC000191821550 823782622 /nfs/dbraw/zinc/78/26/22/823782622.db2.gz YAKAUUDWXPKMTC-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000191822495 823782954 /nfs/dbraw/zinc/78/29/54/823782954.db2.gz INLCCNYSGSHEBD-HXUWFJFHSA-N 1 0 399.288 4.333 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462027863 823801314 /nfs/dbraw/zinc/80/13/14/823801314.db2.gz OLEADURUACWOJV-QGZVFWFLSA-N 1 0 379.529 4.158 20 30 GIEDRO N#Cc1ccc(C(F)(F)F)c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000413590626 823801511 /nfs/dbraw/zinc/80/15/11/823801511.db2.gz UFNFYWZNOFWSGT-UHFFFAOYSA-N 1 0 389.421 4.016 20 30 GIEDRO COc1ccc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N ZINC000064613410 823852392 /nfs/dbraw/zinc/85/23/92/823852392.db2.gz PYWZOELQLBOPHA-UHFFFAOYSA-N 1 0 395.503 4.031 20 30 GIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1OCCCC#N ZINC000064613796 823852748 /nfs/dbraw/zinc/85/27/48/823852748.db2.gz JUMAKYYFKHYPDA-INIZCTEOSA-N 1 0 381.476 4.187 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1OCCCC#N ZINC000064614080 823852759 /nfs/dbraw/zinc/85/27/59/823852759.db2.gz FSWBBQUBFCIAIQ-UHFFFAOYSA-N 1 0 394.519 4.053 20 30 GIEDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000126396255 823856491 /nfs/dbraw/zinc/85/64/91/823856491.db2.gz YGQSVMWASHLDFZ-MRXNPFEDSA-N 1 0 398.576 4.037 20 30 GIEDRO COc1cc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)ccc1C#N ZINC000574965090 823874823 /nfs/dbraw/zinc/87/48/23/823874823.db2.gz GXMJJZHTNUZTBB-QGZVFWFLSA-N 1 0 375.241 4.246 20 30 GIEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000126553094 823897235 /nfs/dbraw/zinc/89/72/35/823897235.db2.gz YWRUEQUQOGNPDL-UHFFFAOYSA-N 1 0 395.503 4.174 20 30 GIEDRO C/C(=C/c1nc2c(s1)C[N@H+](C(C)C)CC2)c1nc2ccccc2n1CC#N ZINC000414084295 823904946 /nfs/dbraw/zinc/90/49/46/823904946.db2.gz WUSWOHCAPUPNNJ-QINSGFPZSA-N 1 0 377.517 4.343 20 30 GIEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000414133218 823916633 /nfs/dbraw/zinc/91/66/33/823916633.db2.gz GKMRCTWVEDNLQF-QAPCUYQASA-N 1 0 388.309 4.024 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000064950989 823917143 /nfs/dbraw/zinc/91/71/43/823917143.db2.gz LNPNTNYEYPZVIE-UHFFFAOYSA-N 1 0 385.511 4.298 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126656352 823920774 /nfs/dbraw/zinc/92/07/74/823920774.db2.gz XGEVSBPKWVTSSL-IAGOWNOFSA-N 1 0 383.467 4.129 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)ccc1OC ZINC000192445432 823995219 /nfs/dbraw/zinc/99/52/19/823995219.db2.gz QIYRFKJXYRIGIG-RBUKOAKNSA-N 1 0 380.488 4.032 20 30 GIEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911907 824048955 /nfs/dbraw/zinc/04/89/55/824048955.db2.gz UEFZXJVHZJZVCO-HNAYVOBHSA-N 1 0 382.895 4.069 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000414914938 824049512 /nfs/dbraw/zinc/04/95/12/824049512.db2.gz YMULREBSCDJGON-ZSZQSSIHSA-N 1 0 382.895 4.244 20 30 GIEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000576032121 824054482 /nfs/dbraw/zinc/05/44/82/824054482.db2.gz NMTODTUFFNUIFG-RBVMOCNTSA-N 1 0 387.527 4.019 20 30 GIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)cnc2Cl)c1 ZINC001164389711 718813745 /nfs/dbraw/zinc/81/37/45/718813745.db2.gz YAKWBNQQMITZLH-UHFFFAOYSA-N 1 0 394.828 4.086 20 30 GIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627251 719077891 /nfs/dbraw/zinc/07/78/91/719077891.db2.gz QAVHIMBXAOZRCJ-QAPCUYQASA-N 1 0 387.314 4.361 20 30 GIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733616 720431196 /nfs/dbraw/zinc/43/11/96/720431196.db2.gz PZYUXMSMJJEPBP-VQTJNVASSA-N 1 0 389.890 4.008 20 30 GIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164792603 721493854 /nfs/dbraw/zinc/49/38/54/721493854.db2.gz RYEQTXDDYFIIEL-UHFFFAOYSA-N 1 0 397.526 4.382 20 30 GIEDRO C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CCO2 ZINC001164980234 722169738 /nfs/dbraw/zinc/16/97/38/722169738.db2.gz XJANFGUWAHRNDA-WMTXJRDZSA-N 1 0 399.579 4.207 20 30 GIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2ccccn2)cc1OC ZINC000120811798 823068989 /nfs/dbraw/zinc/06/89/89/823068989.db2.gz FIMWBUOWQUOWLX-UHFFFAOYSA-N 1 0 391.309 4.092 20 30 GIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000570700782 823073342 /nfs/dbraw/zinc/07/33/42/823073342.db2.gz VQJFJMHLZLXPBM-RUZDIDTESA-N 1 0 399.542 4.372 20 30 GIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000175978250 823087245 /nfs/dbraw/zinc/08/72/45/823087245.db2.gz HZQXLMFOSUMYMO-QGZVFWFLSA-N 1 0 379.529 4.258 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175992472 823090493 /nfs/dbraw/zinc/09/04/93/823090493.db2.gz DPCOIMFYOZNZPJ-WIYYLYMNSA-N 1 0 393.556 4.427 20 30 GIEDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000120949930 823091614 /nfs/dbraw/zinc/09/16/14/823091614.db2.gz ZCMSLDDPQKRPOZ-KSSFIOAISA-N 1 0 382.533 4.126 20 30 GIEDRO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855423 823098201 /nfs/dbraw/zinc/09/82/01/823098201.db2.gz YBMINXQIJYLYHG-LEWJYISDSA-N 1 0 382.483 4.163 20 30 GIEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855426 823098211 /nfs/dbraw/zinc/09/82/11/823098211.db2.gz YBMINXQIJYLYHG-SFTDATJTSA-N 1 0 382.483 4.163 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176089333 823117113 /nfs/dbraw/zinc/11/71/13/823117113.db2.gz FYCBRCSNKJGVQL-SFHVURJKSA-N 1 0 380.467 4.073 20 30 GIEDRO C=CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1OC ZINC000056327346 823128864 /nfs/dbraw/zinc/12/88/64/823128864.db2.gz INVPKEPKOKNDFN-UHFFFAOYSA-N 1 0 380.488 4.151 20 30 GIEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121240947 823145455 /nfs/dbraw/zinc/14/54/55/823145455.db2.gz RSEDJTSIKMTTDC-FXAWDEMLSA-N 1 0 386.455 4.434 20 30 GIEDRO N#Cc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000571309673 823163612 /nfs/dbraw/zinc/16/36/12/823163612.db2.gz BMNUYMOPQGXLHL-ROUUACIJSA-N 1 0 393.231 4.219 20 30 GIEDRO CC[NH+](CC)[C@@H](C/N=C/c1ccc(O)c(O)c1O)c1ccc(C(F)(F)F)cc1 ZINC000121439459 823184733 /nfs/dbraw/zinc/18/47/33/823184733.db2.gz KWUCLWRZQMSQRO-PZLKWIMZSA-N 1 0 396.409 4.324 20 30 GIEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1F ZINC000188270166 823212043 /nfs/dbraw/zinc/21/20/43/823212043.db2.gz FUMZSLFIMBOFKD-QGZVFWFLSA-N 1 0 379.479 4.095 20 30 GIEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1F ZINC000188270141 823212054 /nfs/dbraw/zinc/21/20/54/823212054.db2.gz FUMZSLFIMBOFKD-KRWDZBQOSA-N 1 0 379.479 4.095 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000056796452 823215399 /nfs/dbraw/zinc/21/53/99/823215399.db2.gz WPBGBDYKFZCNOJ-FQEVSTJZSA-N 1 0 399.560 4.291 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000056796453 823215426 /nfs/dbraw/zinc/21/54/26/823215426.db2.gz WPBGBDYKFZCNOJ-HXUWFJFHSA-N 1 0 399.560 4.291 20 30 GIEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571697359 823220790 /nfs/dbraw/zinc/22/07/90/823220790.db2.gz XVJXBGOEYBHISC-RHSMWYFYSA-N 1 0 381.442 4.094 20 30 GIEDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459635739 823234935 /nfs/dbraw/zinc/23/49/35/823234935.db2.gz GSNUAIBUSRERKY-MRXNPFEDSA-N 1 0 396.560 4.223 20 30 GIEDRO Cc1ccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn2)cc1C ZINC000176551655 823235386 /nfs/dbraw/zinc/23/53/86/823235386.db2.gz SDPRXWUPKRQOSA-UHFFFAOYSA-N 1 0 395.507 4.190 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121750513 823242909 /nfs/dbraw/zinc/24/29/09/823242909.db2.gz KXUGYPGUORNUDL-LBPRGKRZSA-N 1 0 391.422 4.061 20 30 GIEDRO C=CCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000459686482 823250659 /nfs/dbraw/zinc/25/06/59/823250659.db2.gz FVQVIRZCTPXGFI-UHFFFAOYSA-N 1 0 396.329 4.008 20 30 GIEDRO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057177605 823259869 /nfs/dbraw/zinc/25/98/69/823259869.db2.gz DNSUOBJAPTWJAX-HXUWFJFHSA-N 1 0 377.488 4.220 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000007266812 817806955 /nfs/dbraw/zinc/80/69/55/817806955.db2.gz FBQJIQDLDDRXQX-CVEARBPZSA-N 1 0 381.476 4.033 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)c(C)n1C ZINC000011082989 818050863 /nfs/dbraw/zinc/05/08/63/818050863.db2.gz RUDSEPGQWHAALP-UHFFFAOYSA-O 1 0 396.511 4.428 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(C)c2)c(C)n1C ZINC000011170411 818058667 /nfs/dbraw/zinc/05/86/67/818058667.db2.gz RLNWNKKXXCASBZ-UHFFFAOYSA-O 1 0 396.511 4.428 20 30 GIEDRO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000176875952 823315458 /nfs/dbraw/zinc/31/54/58/823315458.db2.gz MXQJRUNAAAWDQL-UHFFFAOYSA-N 1 0 394.544 4.044 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122216282 823322507 /nfs/dbraw/zinc/32/25/07/823322507.db2.gz ILQXFBBYGYAEEJ-YLJYHZDGSA-N 1 0 377.488 4.214 20 30 GIEDRO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000176916079 823323430 /nfs/dbraw/zinc/32/34/30/823323430.db2.gz QFJBBWPPSZJBNI-UHFFFAOYSA-N 1 0 395.528 4.375 20 30 GIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(N(C)C)cc2)c1 ZINC000015246068 818302287 /nfs/dbraw/zinc/30/22/87/818302287.db2.gz YMIADPSIYHGZJA-UHFFFAOYSA-O 1 0 390.532 4.399 20 30 GIEDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177034820 823355497 /nfs/dbraw/zinc/35/54/97/823355497.db2.gz UFFWKJPFQAZAIX-UHFFFAOYSA-N 1 0 388.298 4.091 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)ccc1OC ZINC000057964007 823350967 /nfs/dbraw/zinc/35/09/67/823350967.db2.gz MHHTVBGOIOJUCM-UHFFFAOYSA-N 1 0 381.520 4.325 20 30 GIEDRO N#CCCn1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(-c2ccccc2)n1 ZINC000572536568 823356756 /nfs/dbraw/zinc/35/67/56/823356756.db2.gz QDEBQJVCZUQFCQ-QHCPKHFHSA-N 1 0 397.526 4.101 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccccc1 ZINC000022686130 818843811 /nfs/dbraw/zinc/84/38/11/818843811.db2.gz RBFRDEMPTVBLDC-UHFFFAOYSA-O 1 0 383.518 4.404 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCc2ccccc2)c1 ZINC000022730704 818852051 /nfs/dbraw/zinc/85/20/51/818852051.db2.gz GWUNCLRUVOAWDR-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO O=C(c1cc(F)ccc1F)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735545 818853064 /nfs/dbraw/zinc/85/30/64/818853064.db2.gz ZITUHVDWWDAXAA-UHFFFAOYSA-O 1 0 397.470 4.023 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)s1 ZINC000022790879 818861282 /nfs/dbraw/zinc/86/12/82/818861282.db2.gz QVOOVMFIHGRQIE-UHFFFAOYSA-O 1 0 395.573 4.424 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022804854 818862323 /nfs/dbraw/zinc/86/23/23/818862323.db2.gz CNGYGLNAFHLBJT-UHFFFAOYSA-O 1 0 391.507 4.488 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000177159979 823386657 /nfs/dbraw/zinc/38/66/57/823386657.db2.gz VKLLNFPLQVRATQ-QFBILLFUSA-N 1 0 391.540 4.206 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000177213069 823400821 /nfs/dbraw/zinc/40/08/21/823400821.db2.gz ARWGFXRDQHXJNP-QFIPXVFZSA-N 1 0 398.909 4.372 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)CC2)cc1 ZINC000122823781 823418724 /nfs/dbraw/zinc/41/87/24/823418724.db2.gz HSOFQBCOFWLTRU-UHFFFAOYSA-N 1 0 382.511 4.328 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cccc(C#N)c1 ZINC000572952143 823425970 /nfs/dbraw/zinc/42/59/70/823425970.db2.gz HGWKOJVDHCAVGN-KBXCAEBGSA-N 1 0 378.426 4.366 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460544725 823426074 /nfs/dbraw/zinc/42/60/74/823426074.db2.gz PGAMKXFGGXBNFT-IEBWSBKVSA-N 1 0 383.515 4.032 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460556223 823431278 /nfs/dbraw/zinc/43/12/78/823431278.db2.gz SFSADHYZPWYXFA-GHTZIAJQSA-N 1 0 379.552 4.221 20 30 GIEDRO C=CCC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000189524780 823437203 /nfs/dbraw/zinc/43/72/03/823437203.db2.gz WTXFTNOWDRIGKB-DEOSSOPVSA-N 1 0 392.543 4.010 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccsc1 ZINC000025332174 819964590 /nfs/dbraw/zinc/96/45/90/819964590.db2.gz OAIVSGMTHGMCGS-OAQYLSRUSA-N 1 0 375.497 4.319 20 30 GIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000189590173 823453600 /nfs/dbraw/zinc/45/36/00/823453600.db2.gz LCTYAYCDPVWALU-LJQANCHMSA-N 1 0 393.365 4.248 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027578716 820262745 /nfs/dbraw/zinc/26/27/45/820262745.db2.gz DXZKNMZJBDOHOM-IIBYNOLFSA-N 1 0 399.922 4.178 20 30 GIEDRO C[N@H+](CCCNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1 ZINC000028065942 820308770 /nfs/dbraw/zinc/30/87/70/820308770.db2.gz NYDZVUCORGVUBI-UHFFFAOYSA-N 1 0 383.495 4.477 20 30 GIEDRO C=CC[C@H](C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1ccccc1 ZINC000573261253 823472492 /nfs/dbraw/zinc/47/24/92/823472492.db2.gz OATYRAMEIJUHSB-NRFANRHFSA-N 1 0 379.504 4.265 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000177497181 823476909 /nfs/dbraw/zinc/47/69/09/823476909.db2.gz HYWIMXDELULHOI-FQEVSTJZSA-N 1 0 397.563 4.301 20 30 GIEDRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101879 820742337 /nfs/dbraw/zinc/74/23/37/820742337.db2.gz JFXXTRNDRKYFMC-FXAWDEMLSA-N 1 0 396.560 4.453 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000060021767 823505197 /nfs/dbraw/zinc/50/51/97/823505197.db2.gz GUWLWLWDLZGLOW-LJQANCHMSA-N 1 0 391.515 4.132 20 30 GIEDRO C[C@@H]1CCC[C@](CNC(=O)c2ccccc2-c2ccccc2C#N)([NH+](C)C)C1 ZINC000059891324 823502086 /nfs/dbraw/zinc/50/20/86/823502086.db2.gz MOMKXPAFTCVLIX-KOSHJBKYSA-N 1 0 375.516 4.466 20 30 GIEDRO Cc1cccc(C[N@H+](CCC(=O)Nc2sccc2C#N)Cc2ccccn2)c1 ZINC000177645142 823506603 /nfs/dbraw/zinc/50/66/03/823506603.db2.gz WQPHZZSYBRYQJK-UHFFFAOYSA-N 1 0 390.512 4.354 20 30 GIEDRO C=C(C)Cn1c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460802983 823516691 /nfs/dbraw/zinc/51/66/91/823516691.db2.gz LQRDCEBSDYHQBY-CTNGQTDRSA-N 1 0 393.579 4.243 20 30 GIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000033221123 821050570 /nfs/dbraw/zinc/05/05/70/821050570.db2.gz VIGCSORMBYBSNF-UHFFFAOYSA-N 1 0 399.494 4.129 20 30 GIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190017738 823526364 /nfs/dbraw/zinc/52/63/64/823526364.db2.gz ROODYWCMAKWAOX-XGWLTEMNSA-N 1 0 377.579 4.089 20 30 GIEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000042956634 821348773 /nfs/dbraw/zinc/34/87/73/821348773.db2.gz WTTAPYPUEFSIGW-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231066 821377535 /nfs/dbraw/zinc/37/75/35/821377535.db2.gz CNYGRMLXWNQCEM-FQEVSTJZSA-N 1 0 396.560 4.378 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)ccc1OC ZINC000180810401 821472197 /nfs/dbraw/zinc/47/21/97/821472197.db2.gz PPECWNQTCMOTQR-VQIMIIECSA-N 1 0 396.487 4.216 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)ccc1OC ZINC000180813452 821474351 /nfs/dbraw/zinc/47/43/51/821474351.db2.gz WKBUEURYEOGUBS-IEBWSBKVSA-N 1 0 395.503 4.192 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)ccc1OC ZINC000180815529 821475889 /nfs/dbraw/zinc/47/58/89/821475889.db2.gz TVAVQPFCZAYVCP-HNAYVOBHSA-N 1 0 399.466 4.022 20 30 GIEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000043996070 821499330 /nfs/dbraw/zinc/49/93/30/821499330.db2.gz SMIWISIJVDIYSM-UHFFFAOYSA-N 1 0 381.545 4.390 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000180964427 821559614 /nfs/dbraw/zinc/55/96/14/821559614.db2.gz KVJLXFTZYUTDBR-AUSIDOKSSA-N 1 0 387.527 4.367 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(OC)c1O ZINC000181125206 821648390 /nfs/dbraw/zinc/64/83/90/821648390.db2.gz MQVBLYJMJNGAGP-UHFFFAOYSA-N 1 0 395.425 4.182 20 30 GIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181213730 821700966 /nfs/dbraw/zinc/70/09/66/821700966.db2.gz OELBCUCKDZRCFY-OAHLLOKOSA-N 1 0 388.389 4.364 20 30 GIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc2c(c1)OCCO2 ZINC000181227639 821707390 /nfs/dbraw/zinc/70/73/90/821707390.db2.gz KRPLVKOLSHMMSJ-QGZVFWFLSA-N 1 0 387.277 4.333 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1-n1cccn1 ZINC000181229562 821708053 /nfs/dbraw/zinc/70/80/53/821708053.db2.gz DZYNJIBNTZOQHB-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000181283388 821734491 /nfs/dbraw/zinc/73/44/91/821734491.db2.gz YYOZKMBIGGPNKG-UOKFIYJESA-N 1 0 391.515 4.226 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCCOc3ccc(F)cc3)CC2)cc1 ZINC000181479328 821844598 /nfs/dbraw/zinc/84/45/98/821844598.db2.gz CCYPDVPUAKSBET-UHFFFAOYSA-N 1 0 381.495 4.111 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181575599 821886090 /nfs/dbraw/zinc/88/60/90/821886090.db2.gz SIFCPGYXIPKDTD-CYBMUJFWSA-N 1 0 387.480 4.227 20 30 GIEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596873 821895974 /nfs/dbraw/zinc/89/59/74/821895974.db2.gz LGIKUFJPUPJVPE-RBBKRZOGSA-N 1 0 381.907 4.022 20 30 GIEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000181638120 821916988 /nfs/dbraw/zinc/91/69/88/821916988.db2.gz ZLKJKNQASZFHGW-FDDCHVKYSA-N 1 0 375.516 4.394 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCC2)c1 ZINC000181881675 822025283 /nfs/dbraw/zinc/02/52/83/822025283.db2.gz DVEZUVHWQZBCHT-HNNXBMFYSA-N 1 0 382.895 4.101 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110579 822098090 /nfs/dbraw/zinc/09/80/90/822098090.db2.gz CMABDEYQRDSWIL-DHIUTWEWSA-N 1 0 395.934 4.296 20 30 GIEDRO O=C1[C@H]([n+]2ccc(Cc3ccccc3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000182241449 822163530 /nfs/dbraw/zinc/16/35/30/822163530.db2.gz BLOIJPQLCMWBSK-OAQYLSRUSA-N 1 0 381.858 4.335 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432914 822387383 /nfs/dbraw/zinc/38/73/83/822387383.db2.gz JROZZKGXVZLEOX-KRWDZBQOSA-N 1 0 395.469 4.011 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683021 822402712 /nfs/dbraw/zinc/40/27/12/822402712.db2.gz OCGIZUNZLDZNRN-HOTGVXAUSA-N 1 0 398.438 4.028 20 30 GIEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183105529 822425140 /nfs/dbraw/zinc/42/51/40/822425140.db2.gz RNHGKOHQOYQIMR-UHFFFAOYSA-N 1 0 396.498 4.248 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ncc(Br)s1 ZINC000179215097 822452327 /nfs/dbraw/zinc/45/23/27/822452327.db2.gz CLZFIUXDEXVNBL-LLVKDONJSA-N 1 0 382.352 4.361 20 30 GIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000179269523 822459338 /nfs/dbraw/zinc/45/93/38/822459338.db2.gz XDHHRXHPNSSDSC-HNNXBMFYSA-N 1 0 383.879 4.028 20 30 GIEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000179269529 822459404 /nfs/dbraw/zinc/45/94/04/822459404.db2.gz XDHHRXHPNSSDSC-OAHLLOKOSA-N 1 0 383.879 4.028 20 30 GIEDRO CC1(C)CN(C(=O)NCCCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454443512 822476735 /nfs/dbraw/zinc/47/67/35/822476735.db2.gz CGCZMAFHHSCDNO-OAQYLSRUSA-N 1 0 382.552 4.012 20 30 GIEDRO CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454450046 822477802 /nfs/dbraw/zinc/47/78/02/822477802.db2.gz QBAXFHAAURCAHL-UHFFFAOYSA-N 1 0 396.457 4.368 20 30 GIEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046583622 822488555 /nfs/dbraw/zinc/48/85/55/822488555.db2.gz VTXUAXVTQGPCQY-BBRMVZONSA-N 1 0 379.287 4.298 20 30 GIEDRO Cc1cc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000046600855 822490584 /nfs/dbraw/zinc/49/05/84/822490584.db2.gz SDNUMHBEIQFCQO-INIZCTEOSA-N 1 0 384.549 4.071 20 30 GIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594305 822509197 /nfs/dbraw/zinc/50/91/97/822509197.db2.gz VBXBKYRQNYSKTA-UNQDTOCMSA-N 1 0 379.504 4.434 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179595180 822509281 /nfs/dbraw/zinc/50/92/81/822509281.db2.gz XLLHRKQIQHCZEY-RYUDHWBXSA-N 1 0 377.391 4.047 20 30 GIEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686504 822527110 /nfs/dbraw/zinc/52/71/10/822527110.db2.gz UWSBWNGJVSJUBA-KSFYIVLOSA-N 1 0 395.478 4.210 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(N4CCCCC4=O)c3)CC2)cc1 ZINC000179853943 822566659 /nfs/dbraw/zinc/56/66/59/822566659.db2.gz NFGPJQNTQWKQFV-UHFFFAOYSA-N 1 0 388.515 4.152 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000179945687 822582663 /nfs/dbraw/zinc/58/26/63/822582663.db2.gz GSHAEQGOJZXJQV-INIZCTEOSA-N 1 0 393.936 4.462 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969667 822587717 /nfs/dbraw/zinc/58/77/17/822587717.db2.gz POEPJSDBJKRRAY-LIRRHRJNSA-N 1 0 385.414 4.006 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1 ZINC000180009708 822595435 /nfs/dbraw/zinc/59/54/35/822595435.db2.gz FNYPPHQIQNMGKU-PXNSSMCTSA-N 1 0 380.492 4.182 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180033046 822601395 /nfs/dbraw/zinc/60/13/95/822601395.db2.gz VYHHBWXRMMPHER-MSOLQXFVSA-N 1 0 392.503 4.325 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000180045454 822603666 /nfs/dbraw/zinc/60/36/66/822603666.db2.gz TXNIORONUWGNCA-SFHVURJKSA-N 1 0 384.524 4.288 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000180055919 822605397 /nfs/dbraw/zinc/60/53/97/822605397.db2.gz QTJBYPQGEOEOMF-RBUKOAKNSA-N 1 0 384.524 4.097 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)Cc1ccccc1 ZINC000184361265 822622211 /nfs/dbraw/zinc/62/22/11/822622211.db2.gz IQZKWEOUZQJEDI-ICSRJNTNSA-N 1 0 394.519 4.052 20 30 GIEDRO Cn1cc(C[NH2+]CCc2nc(C(C)(C)C)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000180174051 822632428 /nfs/dbraw/zinc/63/24/28/822632428.db2.gz PLNPCCULOHZKHD-UHFFFAOYSA-N 1 0 379.533 4.045 20 30 GIEDRO Cc1cc(Br)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180191661 822636154 /nfs/dbraw/zinc/63/61/54/822636154.db2.gz HRXSNSYBTRMCDQ-UHFFFAOYSA-N 1 0 395.304 4.320 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CC1 ZINC000184522728 822650426 /nfs/dbraw/zinc/65/04/26/822650426.db2.gz RCUSXSWDJBDWCQ-UHFFFAOYSA-N 1 0 399.514 4.126 20 30 GIEDRO Cn1cc([C@H]([NH2+]CCSCc2ccccc2C#N)c2cccc(F)c2)cn1 ZINC000180273865 822652555 /nfs/dbraw/zinc/65/25/55/822652555.db2.gz LGNMIIRCNJRWLG-OAQYLSRUSA-N 1 0 380.492 4.043 20 30 GIEDRO Cn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180277663 822653330 /nfs/dbraw/zinc/65/33/30/822653330.db2.gz QUXITXMXTFSMHC-UHFFFAOYSA-N 1 0 394.400 4.119 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000180333949 822665239 /nfs/dbraw/zinc/66/52/39/822665239.db2.gz NUQJISISYKHXMM-UHFFFAOYSA-N 1 0 383.495 4.352 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000048713583 822679475 /nfs/dbraw/zinc/67/94/75/822679475.db2.gz XHXDIRYCICLVTP-IBGZPJMESA-N 1 0 387.405 4.030 20 30 GIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000180524561 822696127 /nfs/dbraw/zinc/69/61/27/822696127.db2.gz QOHZOJQSTOWTMC-QGZVFWFLSA-N 1 0 397.548 4.004 20 30 GIEDRO C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455696905 822705046 /nfs/dbraw/zinc/70/50/46/822705046.db2.gz DCEUBNHNSFPMEM-QFBILLFUSA-N 1 0 396.922 4.438 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC1 ZINC000180577816 822705499 /nfs/dbraw/zinc/70/54/99/822705499.db2.gz ZSKPMXDDGSYWET-NOTZXAQLSA-N 1 0 385.511 4.167 20 30 GIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OCCCC#N ZINC000180604219 822710017 /nfs/dbraw/zinc/71/00/17/822710017.db2.gz HGTXLOUJXXTXSM-OALUTQOASA-N 1 0 384.476 4.059 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Cl)c1 ZINC000455741961 822718011 /nfs/dbraw/zinc/71/80/11/822718011.db2.gz BFGKCHYRABOTMN-KRWDZBQOSA-N 1 0 388.924 4.426 20 30 GIEDRO CN(C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1Cl ZINC000455749749 822719433 /nfs/dbraw/zinc/71/94/33/822719433.db2.gz KMOCOJYTWOHRRK-SFHVURJKSA-N 1 0 391.302 4.484 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455925274 822750533 /nfs/dbraw/zinc/75/05/33/822750533.db2.gz XGCIFPIYIOWXBU-SFHVURJKSA-N 1 0 376.504 4.306 20 30 GIEDRO N#CCc1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000455937287 822753099 /nfs/dbraw/zinc/75/30/99/822753099.db2.gz DBECKIJFLNILOR-FQEVSTJZSA-N 1 0 382.895 4.365 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+](C)C ZINC000455941065 822754121 /nfs/dbraw/zinc/75/41/21/822754121.db2.gz IMNIRVQMJWWMNZ-HNAYVOBHSA-N 1 0 380.517 4.123 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)Nc2ccccc2F)cc1 ZINC000185573107 822797998 /nfs/dbraw/zinc/79/79/98/822797998.db2.gz HMRMBXHKXSSAFB-UHFFFAOYSA-O 1 0 390.463 4.344 20 30 GIEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000185581339 822798902 /nfs/dbraw/zinc/79/89/02/822798902.db2.gz GPXVGECYTXUXKY-LJQANCHMSA-N 1 0 394.519 4.017 20 30 GIEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000185581317 822798911 /nfs/dbraw/zinc/79/89/11/822798911.db2.gz GPXVGECYTXUXKY-IBGZPJMESA-N 1 0 394.519 4.017 20 30 GIEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185582103 822799052 /nfs/dbraw/zinc/79/90/52/822799052.db2.gz PRLLTUZOIIXJMP-MRXNPFEDSA-O 1 0 394.564 4.470 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1Cl ZINC000185641652 822805829 /nfs/dbraw/zinc/80/58/29/822805829.db2.gz UHKKJAFKXQUQDO-APWZRJJASA-N 1 0 397.906 4.049 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)oc21 ZINC000052712320 822807977 /nfs/dbraw/zinc/80/79/77/822807977.db2.gz OVKMYAUFVMWXMS-CABCVRRESA-N 1 0 377.444 4.381 20 30 GIEDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000174607146 822811702 /nfs/dbraw/zinc/81/17/02/822811702.db2.gz BXOUPJGMHCTQGT-SFHVURJKSA-N 1 0 390.487 4.029 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000174657263 822819284 /nfs/dbraw/zinc/81/92/84/822819284.db2.gz PUFMCYSQLWATPR-MRXNPFEDSA-N 1 0 381.476 4.035 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000185818147 822823920 /nfs/dbraw/zinc/82/39/20/822823920.db2.gz KERGXUCGLCLUCU-NWDGAFQWSA-N 1 0 381.423 4.359 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000185924557 822834159 /nfs/dbraw/zinc/83/41/59/822834159.db2.gz YDNHMGRSLRFYEI-ZDUSSCGKSA-N 1 0 382.411 4.103 20 30 GIEDRO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCCC(C)(C)C#N)CC3)n2)cc1 ZINC000174818862 822841615 /nfs/dbraw/zinc/84/16/15/822841615.db2.gz PKNWQBVDPLRFGB-SFHVURJKSA-N 1 0 381.524 4.054 20 30 GIEDRO CC(C)(C#N)CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000174841141 822844869 /nfs/dbraw/zinc/84/48/69/822844869.db2.gz MMDYINZKIOHVQQ-UHFFFAOYSA-N 1 0 392.341 4.430 20 30 GIEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000053992757 822855984 /nfs/dbraw/zinc/85/59/84/822855984.db2.gz QIRZLKBDPQMTMD-UHFFFAOYSA-N 1 0 399.494 4.096 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000457480782 822879615 /nfs/dbraw/zinc/87/96/15/822879615.db2.gz NMDCKXNAVQTYOZ-LEWJYISDSA-N 1 0 382.483 4.163 20 30 GIEDRO COc1cccc([C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000457479410 822879659 /nfs/dbraw/zinc/87/96/59/822879659.db2.gz MNWURIMWOUCJHK-VXKWHMMOSA-N 1 0 394.519 4.032 20 30 GIEDRO Cn1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000186433354 822894354 /nfs/dbraw/zinc/89/43/54/822894354.db2.gz DLLHPSQIQQTTLV-IBGZPJMESA-N 1 0 384.405 4.394 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000055009816 822930521 /nfs/dbraw/zinc/93/05/21/822930521.db2.gz CUVNFSLTXQWOHG-UHFFFAOYSA-O 1 0 381.565 4.352 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000055012497 822931002 /nfs/dbraw/zinc/93/10/02/822931002.db2.gz HOCONOZIJDZJCS-UHFFFAOYSA-O 1 0 381.565 4.210 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc2c(c1)CCCC2 ZINC000055013999 822931385 /nfs/dbraw/zinc/93/13/85/822931385.db2.gz SNYQOZWLNNXWKC-UHFFFAOYSA-O 1 0 381.565 4.488 20 30 GIEDRO COc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000055014967 822931726 /nfs/dbraw/zinc/93/17/26/822931726.db2.gz XNTJEDUNFVNNMW-UHFFFAOYSA-O 1 0 397.564 4.188 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1OCC ZINC000569525536 822934485 /nfs/dbraw/zinc/93/44/85/822934485.db2.gz KSPGNBBPCLZHDY-AAEUAGOBSA-N 1 0 376.241 4.156 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747408 822962809 /nfs/dbraw/zinc/96/28/09/822962809.db2.gz WONQQGFLVTURJI-DQEYMECFSA-N 1 0 395.506 4.063 20 30 GIEDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000569827117 822973492 /nfs/dbraw/zinc/97/34/92/822973492.db2.gz DKVPJMZEXZZPBT-UHFFFAOYSA-N 1 0 392.503 4.084 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cc(C)cc(C)c1)[n+]1ccccc1 ZINC000186956072 822986433 /nfs/dbraw/zinc/98/64/33/822986433.db2.gz IQFXBOPGXRBWPL-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000569927098 822986557 /nfs/dbraw/zinc/98/65/57/822986557.db2.gz AHMOCXDYBZEWQK-UHFFFAOYSA-N 1 0 383.879 4.131 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000569953144 822989515 /nfs/dbraw/zinc/98/95/15/822989515.db2.gz CWYBUVYJWPMANU-MSOLQXFVSA-N 1 0 383.517 4.126 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cccc(OC)c1)C(=S)NC(C)(C)CC ZINC000186970316 822989555 /nfs/dbraw/zinc/98/95/55/822989555.db2.gz QVTFHKJRGXRIPS-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570183234 823013027 /nfs/dbraw/zinc/01/30/27/823013027.db2.gz FYVWJVWRQDDISG-KDURUIRLSA-N 1 0 390.487 4.122 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1C ZINC000175711012 823025076 /nfs/dbraw/zinc/02/50/76/823025076.db2.gz FUZYVNKJIQRGSG-APWZRJJASA-N 1 0 378.476 4.297 20 30 GIEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000187289919 823037657 /nfs/dbraw/zinc/03/76/57/823037657.db2.gz CSDPTPNJSWNOAY-UHFFFAOYSA-N 1 0 393.918 4.024 20 30 GIEDRO Cc1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)ncc1C#N ZINC000411105661 823547267 /nfs/dbraw/zinc/54/72/67/823547267.db2.gz XSVNLFYEJVJFKB-UHFFFAOYSA-N 1 0 382.895 4.048 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460948460 823548735 /nfs/dbraw/zinc/54/87/35/823548735.db2.gz WKRGESSPKAGLEE-QZTJIDSGSA-N 1 0 392.551 4.312 20 30 GIEDRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)c1cccc(C#N)c1 ZINC000411160716 823553026 /nfs/dbraw/zinc/55/30/26/823553026.db2.gz UVXRNXCKUHXKGE-ZDUSSCGKSA-N 1 0 375.394 4.387 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411164559 823553415 /nfs/dbraw/zinc/55/34/15/823553415.db2.gz HWVVCBYPSIUIGK-OAHLLOKOSA-N 1 0 392.528 4.219 20 30 GIEDRO COc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)ccc1OCc1ccccc1 ZINC000060843519 823561545 /nfs/dbraw/zinc/56/15/45/823561545.db2.gz NSPXHMLYDJYNGE-UHFFFAOYSA-N 1 0 388.467 4.466 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)CC1 ZINC000124169799 823574100 /nfs/dbraw/zinc/57/41/00/823574100.db2.gz FEFJNYOKSWTNID-UHFFFAOYSA-N 1 0 390.483 4.208 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1c(F)cccc1F ZINC000411446476 823575190 /nfs/dbraw/zinc/57/51/90/823575190.db2.gz OKIZIMGFGWUNFA-NSHDSACASA-N 1 0 375.444 4.066 20 30 GIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1OC(F)F ZINC000411457446 823576861 /nfs/dbraw/zinc/57/68/61/823576861.db2.gz WDHYKLCHWYZSIH-LSDHHAIUSA-N 1 0 391.443 4.067 20 30 GIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC000461110281 823579331 /nfs/dbraw/zinc/57/93/31/823579331.db2.gz PCTGURAVBOWDDD-ZZKPQBBPSA-N 1 0 384.520 4.206 20 30 GIEDRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411506389 823582252 /nfs/dbraw/zinc/58/22/52/823582252.db2.gz PSHLQZCPPSOBII-CABCVRRESA-N 1 0 396.560 4.381 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517596 823583619 /nfs/dbraw/zinc/58/36/19/823583619.db2.gz GHTWGAUWJGMVNR-DYVFJYSZSA-N 1 0 395.484 4.139 20 30 GIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000411559458 823587952 /nfs/dbraw/zinc/58/79/52/823587952.db2.gz WBEOHVSFWDKQTP-HXUWFJFHSA-N 1 0 376.472 4.208 20 30 GIEDRO C[C@H](CCC#N)[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000411607290 823590483 /nfs/dbraw/zinc/59/04/83/823590483.db2.gz CRVSQJICNVMOAU-GDBMZVCRSA-N 1 0 381.314 4.131 20 30 GIEDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604503 823590649 /nfs/dbraw/zinc/59/06/49/823590649.db2.gz BGEZBLNOCIUGDI-KDOFPFPSSA-N 1 0 396.560 4.072 20 30 GIEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411652143 823594301 /nfs/dbraw/zinc/59/43/01/823594301.db2.gz YLBZRVHJGFOIQU-SFHVURJKSA-N 1 0 375.394 4.479 20 30 GIEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000124455462 823598109 /nfs/dbraw/zinc/59/81/09/823598109.db2.gz CUUXWPIXJACOLI-CVEARBPZSA-N 1 0 387.833 4.297 20 30 GIEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000461216936 823600263 /nfs/dbraw/zinc/60/02/63/823600263.db2.gz ZUCTWNKDVDPUQV-UHFFFAOYSA-N 1 0 391.515 4.397 20 30 GIEDRO CC(C)CCC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000124788014 823626274 /nfs/dbraw/zinc/62/62/74/823626274.db2.gz NBUJCOMBOIAURL-LJQANCHMSA-N 1 0 376.504 4.372 20 30 GIEDRO CC[NH+]1CCN(c2cccc(NCc3cccc(OCCCC#N)c3)c2)CC1 ZINC000190967501 823631942 /nfs/dbraw/zinc/63/19/42/823631942.db2.gz OXGNGILCGTVFBO-UHFFFAOYSA-N 1 0 378.520 4.123 20 30 GIEDRO N#Cc1cnc2ccccc2c1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000461459668 823642109 /nfs/dbraw/zinc/64/21/09/823642109.db2.gz DMNAOMQSNLXCHO-UHFFFAOYSA-N 1 0 376.891 4.472 20 30 GIEDRO CCCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125054811 823648610 /nfs/dbraw/zinc/64/86/10/823648610.db2.gz JNXIRSKIKWBWKC-UHFFFAOYSA-N 1 0 392.503 4.087 20 30 GIEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)cc1 ZINC000125204794 823658978 /nfs/dbraw/zinc/65/89/78/823658978.db2.gz MQRJEPMOVYAKIB-MRXNPFEDSA-N 1 0 377.307 4.080 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000063400302 823668042 /nfs/dbraw/zinc/66/80/42/823668042.db2.gz QFZSHSCTSZBGDM-UHFFFAOYSA-N 1 0 394.563 4.445 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063401653 823668306 /nfs/dbraw/zinc/66/83/06/823668306.db2.gz FNLDSVKNJFMAAS-UHFFFAOYSA-N 1 0 388.515 4.052 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000125354495 823670174 /nfs/dbraw/zinc/67/01/74/823670174.db2.gz MSXLYFFHFIPJNM-SFHVURJKSA-N 1 0 381.545 4.181 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2)sc2c1CCC2 ZINC000063484716 823675573 /nfs/dbraw/zinc/67/55/73/823675573.db2.gz VXSJYNBSVMGPOC-KRWDZBQOSA-N 1 0 379.529 4.144 20 30 GIEDRO COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000461740731 823690102 /nfs/dbraw/zinc/69/01/02/823690102.db2.gz MPTWAMQYNUPPTA-JPYJTQIMSA-N 1 0 391.515 4.014 20 30 GIEDRO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccc(F)cc1 ZINC000063750829 823693577 /nfs/dbraw/zinc/69/35/77/823693577.db2.gz RZWDWGJYLLWIAU-QHCPKHFHSA-N 1 0 381.495 4.421 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000191514995 823694190 /nfs/dbraw/zinc/69/41/90/823694190.db2.gz AOOOGEGCITTZME-LJQANCHMSA-N 1 0 385.552 4.115 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000191547003 823698274 /nfs/dbraw/zinc/69/82/74/823698274.db2.gz HLGIZXDMMAVXOS-UHFFFAOYSA-N 1 0 384.442 4.020 20 30 GIEDRO CN(C)[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccco1 ZINC000125718893 823699917 /nfs/dbraw/zinc/69/99/17/823699917.db2.gz ULNYLDFIYJFCMP-JOCHJYFZSA-N 1 0 375.472 4.123 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000125779750 823708679 /nfs/dbraw/zinc/70/86/79/823708679.db2.gz GHDHMQIZDQOUKQ-UHFFFAOYSA-N 1 0 381.907 4.196 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191650611 823724216 /nfs/dbraw/zinc/72/42/16/823724216.db2.gz OMAPNVFNZJZTHJ-HXUWFJFHSA-N 1 0 390.531 4.213 20 30 GIEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000574492692 823746939 /nfs/dbraw/zinc/74/69/39/823746939.db2.gz ONOXKIKNQTWIJP-FFZOFVMBSA-N 1 0 388.943 4.076 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2)cc1 ZINC000574544231 823760501 /nfs/dbraw/zinc/76/05/01/823760501.db2.gz SDMCDBNZHHVKML-UHFFFAOYSA-N 1 0 390.487 4.348 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000191811561 823778172 /nfs/dbraw/zinc/77/81/72/823778172.db2.gz QJLNFIOMYZBYSC-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462025864 823800361 /nfs/dbraw/zinc/80/03/61/823800361.db2.gz GRQPIDIKGZRVFK-IBGZPJMESA-N 1 0 375.516 4.032 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000064412307 823813820 /nfs/dbraw/zinc/81/38/20/823813820.db2.gz OSRVBVHBKZPMFM-UHFFFAOYSA-N 1 0 390.409 4.173 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000126237056 823818012 /nfs/dbraw/zinc/81/80/12/823818012.db2.gz KNTBLZBBAGEUGE-OAQYLSRUSA-N 1 0 392.503 4.110 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1OCCCC#N ZINC000064614120 823853036 /nfs/dbraw/zinc/85/30/36/823853036.db2.gz BOVAQOPGEWVDLX-UHFFFAOYSA-N 1 0 395.322 4.492 20 30 GIEDRO COc1ccc(CNC2CC[NH+](CC3CCCC3)CC2)cc1OCCCC#N ZINC000064614590 823853141 /nfs/dbraw/zinc/85/31/41/823853141.db2.gz MSBICLZAECARAS-UHFFFAOYSA-N 1 0 385.552 4.122 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462192410 823863387 /nfs/dbraw/zinc/86/33/87/823863387.db2.gz BUBLMYHAYNTQLW-UGKGYDQZSA-N 1 0 375.516 4.032 20 30 GIEDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462200912 823867328 /nfs/dbraw/zinc/86/73/28/823867328.db2.gz ICZDKSMWRPIHMT-ROUUACIJSA-N 1 0 377.488 4.021 20 30 GIEDRO C[C@@H](C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210884 823873724 /nfs/dbraw/zinc/87/37/24/823873724.db2.gz GZILZWKDHOGPCM-JPYJTQIMSA-N 1 0 389.543 4.251 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC000192138378 823875675 /nfs/dbraw/zinc/87/56/75/823875675.db2.gz YMRMKEDCQBGNOA-ROUUACIJSA-N 1 0 393.231 4.219 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)cc1 ZINC000167180269 823888244 /nfs/dbraw/zinc/88/82/44/823888244.db2.gz GPWNYYNFIMBTGW-VQTJNVASSA-N 1 0 379.500 4.273 20 30 GIEDRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000575045415 823899005 /nfs/dbraw/zinc/89/90/05/823899005.db2.gz CPJRNFHPHCYUFA-UHFFFAOYSA-N 1 0 389.293 4.212 20 30 GIEDRO N#Cc1cc(F)cc(C2(c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)CC2)c1 ZINC000575092185 823909443 /nfs/dbraw/zinc/90/94/43/823909443.db2.gz AFOPDLMIUMMTQB-UHFFFAOYSA-N 1 0 388.446 4.423 20 30 GIEDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462279402 823910501 /nfs/dbraw/zinc/91/05/01/823910501.db2.gz YMXVZXXNIBFFLF-HLLQZAQXSA-N 1 0 399.897 4.263 20 30 GIEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(C#N)cc1 ZINC000414212720 823930335 /nfs/dbraw/zinc/93/03/35/823930335.db2.gz RVECJIFPGGKCFE-IBGZPJMESA-N 1 0 376.909 4.246 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000414297859 823953518 /nfs/dbraw/zinc/95/35/18/823953518.db2.gz HROSYYLUOZYHAQ-WIYYLYMNSA-N 1 0 384.545 4.065 20 30 GIEDRO [NH2+]=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000170905693 824003720 /nfs/dbraw/zinc/00/37/20/824003720.db2.gz YCIOBVLFUNHKLR-UHFFFAOYSA-N 1 0 378.398 4.112 20 30 GIEDRO N#CCc1ccc(CN2CC[N@H+](Cc3ccc(CC#N)cc3)[C@@H]3CCCC[C@H]32)cc1 ZINC000575896021 824022649 /nfs/dbraw/zinc/02/26/49/824022649.db2.gz UAMIHNBLUXXREP-CLJLJLNGSA-N 1 0 398.554 4.448 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000575958954 824037645 /nfs/dbraw/zinc/03/76/45/824037645.db2.gz CQHFEHJEKOJAGP-FQEVSTJZSA-N 1 0 380.467 4.120 20 30 GIEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911818 824049119 /nfs/dbraw/zinc/04/91/19/824049119.db2.gz TWEIWAMEGHTHOI-RXVVDRJESA-N 1 0 382.895 4.198 20 30 GIEDRO CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000414914904 824049473 /nfs/dbraw/zinc/04/94/73/824049473.db2.gz YFCBLRIFZVRZPD-UYAOXDASSA-N 1 0 382.895 4.196 20 30 GIEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414915339 824049475 /nfs/dbraw/zinc/04/94/75/824049475.db2.gz ZDHGRWMNPFWWNX-URLQWDBASA-N 1 0 382.895 4.196 20 30 GIEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414962595 824054411 /nfs/dbraw/zinc/05/44/11/824054411.db2.gz JWORWXFLAIRUPD-UHFFFAOYSA-N 1 0 386.883 4.453 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021523 721802793 /nfs/dbraw/zinc/80/27/93/721802793.db2.gz HKXRZSWNFPCYHF-RRPUWOKSSA-N 1 0 389.547 4.209 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@H]21 ZINC001165020779 721823648 /nfs/dbraw/zinc/82/36/48/721823648.db2.gz DTJGDKCUJZAGMV-KUWBRRTOSA-N 1 0 397.526 4.238 20 30 GIEDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C1 ZINC001165035304 721899511 /nfs/dbraw/zinc/89/95/11/721899511.db2.gz APEFUABPPSZEHF-KRWDZBQOSA-N 1 0 390.865 4.349 20 30 GIEDRO C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CCO2 ZINC001164980229 722169649 /nfs/dbraw/zinc/16/96/49/722169649.db2.gz XJANFGUWAHRNDA-FIXSFTCYSA-N 1 0 399.579 4.207 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(O)CCCCCC2)cc1OC ZINC000570548750 823052777 /nfs/dbraw/zinc/05/27/77/823052777.db2.gz NUSDAXIBZJCXMW-UHFFFAOYSA-N 1 0 398.341 4.197 20 30 GIEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175874111 823061179 /nfs/dbraw/zinc/06/11/79/823061179.db2.gz NBVXCXANHVNAAU-UHFFFAOYSA-N 1 0 390.837 4.340 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120807770 823068140 /nfs/dbraw/zinc/06/81/40/823068140.db2.gz SRCFDTUDDQJQMS-WIYYLYMNSA-N 1 0 394.519 4.021 20 30 GIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000175978225 823087109 /nfs/dbraw/zinc/08/71/09/823087109.db2.gz HZQXLMFOSUMYMO-KRWDZBQOSA-N 1 0 379.529 4.258 20 30 GIEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458798409 823087089 /nfs/dbraw/zinc/08/70/89/823087089.db2.gz ICXKZAHNKWRGCY-QFIPXVFZSA-N 1 0 396.510 4.334 20 30 GIEDRO CC1CCC([NH+]2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000458801089 823087994 /nfs/dbraw/zinc/08/79/94/823087994.db2.gz MLOVJHHJDRGSCL-KITAHSCOSA-N 1 0 382.552 4.327 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000458805089 823088936 /nfs/dbraw/zinc/08/89/36/823088936.db2.gz TWWDCIQASKKLCY-HJNYFJLDSA-N 1 0 380.536 4.080 20 30 GIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000176020609 823097515 /nfs/dbraw/zinc/09/75/15/823097515.db2.gz ZATKYANFWRRJJE-UHFFFAOYSA-N 1 0 396.438 4.234 20 30 GIEDRO N#CCSc1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000176037975 823102925 /nfs/dbraw/zinc/10/29/25/823102925.db2.gz CQHDUIZAKCFTTI-UHFFFAOYSA-N 1 0 393.556 4.083 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000571090272 823130856 /nfs/dbraw/zinc/13/08/56/823130856.db2.gz BIRFGLRQMNPJBN-LJQANCHMSA-N 1 0 386.492 4.046 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000571146142 823140390 /nfs/dbraw/zinc/14/03/90/823140390.db2.gz DRMDABABGJBHQP-DNVCBOLYSA-N 1 0 382.895 4.117 20 30 GIEDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391293 823176466 /nfs/dbraw/zinc/17/64/66/823176466.db2.gz YXJNNKQKFIBMQW-IIBYNOLFSA-N 1 0 380.488 4.320 20 30 GIEDRO N#Cc1cc(F)c(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Br ZINC000571444527 823183496 /nfs/dbraw/zinc/18/34/96/823183496.db2.gz OBLRIVHOONTTPY-MRXNPFEDSA-N 1 0 378.245 4.302 20 30 GIEDRO C#CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000188130194 823191244 /nfs/dbraw/zinc/19/12/44/823191244.db2.gz KBPOQTYRANPJEX-SEJPIABJSA-N 1 0 389.499 4.016 20 30 GIEDRO CN(C(=O)C[NH+]1CCC(CCC#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000571555826 823199808 /nfs/dbraw/zinc/19/98/08/823199808.db2.gz BSKAPOJIDSJHOA-XMMPIXPASA-N 1 0 393.506 4.389 20 30 GIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000571601742 823206057 /nfs/dbraw/zinc/20/60/57/823206057.db2.gz ZCRKELVGYLPVGZ-FXAWDEMLSA-N 1 0 389.478 4.376 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)COc1ccccc1 ZINC000571614592 823209375 /nfs/dbraw/zinc/20/93/75/823209375.db2.gz UOIOHGPMVNFWDW-SFHVURJKSA-N 1 0 392.421 4.227 20 30 GIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459683879 823249924 /nfs/dbraw/zinc/24/99/24/823249924.db2.gz BKVYMRDOZIJHFE-IRXDYDNUSA-N 1 0 383.467 4.129 20 30 GIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000459702475 823253597 /nfs/dbraw/zinc/25/35/97/823253597.db2.gz VCSHGBZHNDNMOZ-UHFFFAOYSA-N 1 0 383.448 4.212 20 30 GIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000121798631 823253659 /nfs/dbraw/zinc/25/36/59/823253659.db2.gz KNHKLEMWQDRGPM-RBUKOAKNSA-N 1 0 392.459 4.070 20 30 GIEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000176632542 823253747 /nfs/dbraw/zinc/25/37/47/823253747.db2.gz CZJSSICOQJGOMT-GHTZIAJQSA-N 1 0 399.560 4.195 20 30 GIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000121824947 823258392 /nfs/dbraw/zinc/25/83/92/823258392.db2.gz QCFDNTOKTDOMMT-GOSISDBHSA-N 1 0 393.556 4.455 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188565906 823262733 /nfs/dbraw/zinc/26/27/33/823262733.db2.gz ZZNTZGOWSINMML-UHFFFAOYSA-N 1 0 396.535 4.066 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC2=CC[NH2+]CC2)cc1Cl ZINC000572100843 823283551 /nfs/dbraw/zinc/28/35/51/823283551.db2.gz KMRNAGTWBBYURK-FQEVSTJZSA-N 1 0 394.906 4.427 20 30 GIEDRO CC(C)C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000057393722 823289423 /nfs/dbraw/zinc/28/94/23/823289423.db2.gz CMMIOYQZDJWWSN-HXUWFJFHSA-N 1 0 398.576 4.480 20 30 GIEDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409728384 823292199 /nfs/dbraw/zinc/29/21/99/823292199.db2.gz ASCLZTQNGOMZKN-UHFFFAOYSA-N 1 0 382.352 4.073 20 30 GIEDRO COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000057601078 823313385 /nfs/dbraw/zinc/31/33/85/823313385.db2.gz QFZPQIAZZKAZCA-IBGZPJMESA-N 1 0 391.515 4.243 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000057641702 823317476 /nfs/dbraw/zinc/31/74/76/823317476.db2.gz DFYSRRIJKOZDNG-HSZRJFAPSA-N 1 0 397.494 4.458 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2Cl)cc1 ZINC000572344620 823325140 /nfs/dbraw/zinc/32/51/40/823325140.db2.gz FTQNRHFPGMWASN-KXBFYZLASA-N 1 0 396.878 4.220 20 30 GIEDRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(C)c2)cc1 ZINC000015245937 818302441 /nfs/dbraw/zinc/30/24/41/818302441.db2.gz ZZOVFNYUHZCCIT-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO N#CCCn1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccccc2)n1 ZINC000122261996 823329243 /nfs/dbraw/zinc/32/92/43/823329243.db2.gz NUYIXVDHPAXSFV-UHFFFAOYSA-N 1 0 384.483 4.459 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2Br)cc1 ZINC000176990872 823344048 /nfs/dbraw/zinc/34/40/48/823344048.db2.gz INZVEOXFNVVKDK-GJZGRUSLSA-N 1 0 389.293 4.297 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000057967844 823351444 /nfs/dbraw/zinc/35/14/44/823351444.db2.gz WVNIBQHEMQPZQA-QGZVFWFLSA-N 1 0 396.487 4.458 20 30 GIEDRO COc1ccccc1NC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177025111 823352434 /nfs/dbraw/zinc/35/24/34/823352434.db2.gz PGUYHLDODNTXBK-UHFFFAOYSA-N 1 0 382.891 4.051 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000572583665 823365363 /nfs/dbraw/zinc/36/53/63/823365363.db2.gz BQXFHVMXRRWDTK-GOSISDBHSA-N 1 0 376.460 4.017 20 30 GIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000022688837 818844813 /nfs/dbraw/zinc/84/48/13/818844813.db2.gz RZMIPIYROPHNEN-UHFFFAOYSA-O 1 0 391.560 4.032 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NCCOC)cc1 ZINC000022792988 818861314 /nfs/dbraw/zinc/86/13/14/818861314.db2.gz OKHANFVFWVUJHV-UHFFFAOYSA-O 1 0 399.580 4.361 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022804574 818862395 /nfs/dbraw/zinc/86/23/95/818862395.db2.gz CUBSBVHZSVVPLR-UHFFFAOYSA-O 1 0 391.507 4.488 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CC)cc1 ZINC000022797979 818862413 /nfs/dbraw/zinc/86/24/13/818862413.db2.gz YRWCIQOIXHJMRJ-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NCc1ccccc1 ZINC000023604129 818963413 /nfs/dbraw/zinc/96/34/13/818963413.db2.gz QIAOZYIANRHJDX-UHFFFAOYSA-O 1 0 392.548 4.210 20 30 GIEDRO CC1(C)CN(C(=O)C2(C#N)CCCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000572724841 823389076 /nfs/dbraw/zinc/38/90/76/823389076.db2.gz YYPOZQOPJNMCDS-NRFANRHFSA-N 1 0 379.548 4.220 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058453350 823393647 /nfs/dbraw/zinc/39/36/47/823393647.db2.gz VNIWMCVQWUIKSZ-UHFFFAOYSA-N 1 0 382.895 4.306 20 30 GIEDRO CC1CCN(C(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000177175503 823391527 /nfs/dbraw/zinc/39/15/27/823391527.db2.gz FOYVJYHGKGMLRC-UHFFFAOYSA-N 1 0 392.465 4.027 20 30 GIEDRO Cn1cc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000572768479 823395755 /nfs/dbraw/zinc/39/57/55/823395755.db2.gz LDIMPJGTNMLGSQ-HXUWFJFHSA-N 1 0 398.432 4.470 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000122695196 823396047 /nfs/dbraw/zinc/39/60/47/823396047.db2.gz WIVGBBIQJNUILN-CABCVRRESA-N 1 0 397.441 4.009 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572804766 823402308 /nfs/dbraw/zinc/40/23/08/823402308.db2.gz WWMHPNNTPBRGGG-NRFANRHFSA-N 1 0 376.504 4.291 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(C4CCCC4)s3)CC2)cc1 ZINC000122809447 823416004 /nfs/dbraw/zinc/41/60/04/823416004.db2.gz RNLVUNJXXDCSBK-UHFFFAOYSA-N 1 0 380.561 4.380 20 30 GIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460544745 823426342 /nfs/dbraw/zinc/42/63/42/823426342.db2.gz PIDHVWXCXNDNQS-RBBKRZOGSA-N 1 0 393.579 4.093 20 30 GIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000189492459 823429781 /nfs/dbraw/zinc/42/97/81/823429781.db2.gz JIDPQPARDXVKNB-UHFFFAOYSA-N 1 0 395.503 4.061 20 30 GIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460554228 823430143 /nfs/dbraw/zinc/43/01/43/823430143.db2.gz CRGGZVDKXTXTPU-FQEVSTJZSA-N 1 0 397.567 4.143 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000025301331 819958001 /nfs/dbraw/zinc/95/80/01/819958001.db2.gz NGNAENPJOFQXAP-DENIHFKCSA-N 1 0 397.515 4.009 20 30 GIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025302238 819958096 /nfs/dbraw/zinc/95/80/96/819958096.db2.gz OJNWZZVBTOHOHR-ZJSXRUAMSA-N 1 0 394.515 4.118 20 30 GIEDRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000025934094 820041831 /nfs/dbraw/zinc/04/18/31/820041831.db2.gz YXIIMSQTLWNZQZ-UHFFFAOYSA-N 1 0 399.542 4.069 20 30 GIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000189590155 823453367 /nfs/dbraw/zinc/45/33/67/823453367.db2.gz LCTYAYCDPVWALU-IBGZPJMESA-N 1 0 393.365 4.248 20 30 GIEDRO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026484062 820103740 /nfs/dbraw/zinc/10/37/40/820103740.db2.gz IGPICOXYIMBTCC-QGZVFWFLSA-N 1 0 392.446 4.072 20 30 GIEDRO CCNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1ccc(N(C)C)cc1 ZINC000027055618 820186381 /nfs/dbraw/zinc/18/63/81/820186381.db2.gz BCVDSPINCVOPGE-UHFFFAOYSA-O 1 0 398.577 4.112 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1)[n+]1ccc(C)cc1 ZINC000027183720 820207025 /nfs/dbraw/zinc/20/70/25/820207025.db2.gz GZVHOWKUCUNHMB-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027209741 820209502 /nfs/dbraw/zinc/20/95/02/820209502.db2.gz CKCYXJDAYBIQGU-FYYLOGMGSA-N 1 0 392.886 4.331 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(CC)cc1 ZINC000027325497 820224610 /nfs/dbraw/zinc/22/46/10/820224610.db2.gz COAHBWLVBHQOBN-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2CCCCC2)c1 ZINC000027329760 820225066 /nfs/dbraw/zinc/22/50/66/820225066.db2.gz DOJRQWVNFXGVKG-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000027379686 820235294 /nfs/dbraw/zinc/23/52/94/820235294.db2.gz CWRVWRJOTWQSFG-HSZRJFAPSA-N 1 0 395.503 4.281 20 30 GIEDRO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000027379683 820235494 /nfs/dbraw/zinc/23/54/94/820235494.db2.gz CWRVWRJOTWQSFG-QHCPKHFHSA-N 1 0 395.503 4.281 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1ccc(C)cc1 ZINC000027485529 820251064 /nfs/dbraw/zinc/25/10/64/820251064.db2.gz QGDDKSGCKMAYOM-PKOBYXMFSA-O 1 0 397.564 4.398 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)CCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000027574849 820261978 /nfs/dbraw/zinc/26/19/78/820261978.db2.gz JRUUUWZBBDIUPD-FQEVSTJZSA-N 1 0 381.545 4.142 20 30 GIEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000573219212 823467500 /nfs/dbraw/zinc/46/75/00/823467500.db2.gz IXTJWGDLQWQBOA-ZWKOTPCHSA-N 1 0 386.952 4.084 20 30 GIEDRO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000028154795 820314602 /nfs/dbraw/zinc/31/46/02/820314602.db2.gz KWOLMODFAISCEV-UHFFFAOYSA-N 1 0 389.543 4.394 20 30 GIEDRO O=C1CC2(CCCCC2)CC(=O)C1=CNCc1ccccc1C[NH+]1CCCC1 ZINC000029003737 820382192 /nfs/dbraw/zinc/38/21/92/820382192.db2.gz AHRLHWAGJPMHHE-UHFFFAOYSA-N 1 0 380.532 4.138 20 30 GIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000029002397 820382240 /nfs/dbraw/zinc/38/22/40/820382240.db2.gz RIEGDNCFNXFNTA-JXMROGBWSA-N 1 0 394.906 4.005 20 30 GIEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000177553820 823489488 /nfs/dbraw/zinc/48/94/88/823489488.db2.gz JWYIZACEDCJICH-WOJBJXKFSA-N 1 0 393.556 4.453 20 30 GIEDRO Cc1cc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000177574291 823494229 /nfs/dbraw/zinc/49/42/29/823494229.db2.gz SNTNEUPDFLTBOK-UHFFFAOYSA-N 1 0 395.572 4.294 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000030532570 820634005 /nfs/dbraw/zinc/63/40/05/820634005.db2.gz DPHKFCMVXVJAGK-YADARESESA-N 1 0 386.495 4.376 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000059994038 823504463 /nfs/dbraw/zinc/50/44/63/823504463.db2.gz UAGOIWJVRXIVJV-XMMPIXPASA-N 1 0 399.494 4.170 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000059994035 823504544 /nfs/dbraw/zinc/50/45/44/823504544.db2.gz UAGOIWJVRXIVJV-DEOSSOPVSA-N 1 0 399.494 4.170 20 30 GIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786561 823512110 /nfs/dbraw/zinc/51/21/10/823512110.db2.gz KIMFOYXSBJZIJN-PMACEKPBSA-N 1 0 397.567 4.051 20 30 GIEDRO C=C(C)Cn1c(C2CCC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460800382 823516001 /nfs/dbraw/zinc/51/60/01/823516001.db2.gz DKFXOGQGKFWJDI-UHFFFAOYSA-N 1 0 379.552 4.223 20 30 GIEDRO FC(F)C(F)(F)CN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177723581 823517090 /nfs/dbraw/zinc/51/70/90/823517090.db2.gz YNWWQENZKBXCJW-UHFFFAOYSA-N 1 0 386.355 4.156 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc2c(c1)CCCC2 ZINC000032813767 821010918 /nfs/dbraw/zinc/01/09/18/821010918.db2.gz QTVFWJPAQXNKII-UHFFFAOYSA-O 1 0 393.576 4.493 20 30 GIEDRO CC(C)Oc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c(C(F)(F)F)c1 ZINC000123568267 823522197 /nfs/dbraw/zinc/52/21/97/823522197.db2.gz OTMRYURWLQHGDB-UHFFFAOYSA-N 1 0 388.393 4.302 20 30 GIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060426082 823526066 /nfs/dbraw/zinc/52/60/66/823526066.db2.gz GYAAKIIYMNLWJY-MOPGFXCFSA-N 1 0 391.515 4.016 20 30 GIEDRO N#CCc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000410973367 823526397 /nfs/dbraw/zinc/52/63/97/823526397.db2.gz VWLFQOXRECUSRU-UHFFFAOYSA-N 1 0 385.920 4.207 20 30 GIEDRO CC[N@H+](CC(=O)NCCc1ccc(OC(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469598 823531756 /nfs/dbraw/zinc/53/17/56/823531756.db2.gz VMSZLCACLBHMAL-LJQANCHMSA-N 1 0 393.531 4.087 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000177847315 823535723 /nfs/dbraw/zinc/53/57/23/823535723.db2.gz LBMHIUQFUHGJCP-UXHICEINSA-N 1 0 390.487 4.441 20 30 GIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCC1 ZINC000190069005 823533576 /nfs/dbraw/zinc/53/35/76/823533576.db2.gz ZWXYQQWJPSLBDR-UHFFFAOYSA-N 1 0 390.531 4.089 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Br ZINC000177863647 823538121 /nfs/dbraw/zinc/53/81/21/823538121.db2.gz WIRGEYPWOCTHPE-ZDUSSCGKSA-N 1 0 375.266 4.211 20 30 GIEDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000180805956 821468663 /nfs/dbraw/zinc/46/86/63/821468663.db2.gz KREZNXTYXZLVPK-LJQANCHMSA-N 1 0 394.519 4.019 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)ccc1OC ZINC000180810381 821472337 /nfs/dbraw/zinc/47/23/37/821472337.db2.gz PPECWNQTCMOTQR-APWZRJJASA-N 1 0 396.487 4.216 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)ccc1OC ZINC000180811660 821472958 /nfs/dbraw/zinc/47/29/58/821472958.db2.gz ZQDHFPQYXYWFSI-DOTOQJQBSA-N 1 0 384.476 4.244 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180814607 821475054 /nfs/dbraw/zinc/47/50/54/821475054.db2.gz ZVZMMBLGAFHBPP-QGZVFWFLSA-N 1 0 392.528 4.440 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000180964612 821559761 /nfs/dbraw/zinc/55/97/61/821559761.db2.gz KVJLXFTZYUTDBR-XXBNENTESA-N 1 0 387.527 4.367 20 30 GIEDRO N#CCCn1cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(-c2ccccc2)n1 ZINC000181097577 821630708 /nfs/dbraw/zinc/63/07/08/821630708.db2.gz MHWJFWWJNAZQTP-NRFANRHFSA-N 1 0 394.519 4.019 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000044803207 821665203 /nfs/dbraw/zinc/66/52/03/821665203.db2.gz PJCMYSKCGKFCAA-NWDGAFQWSA-N 1 0 393.821 4.491 20 30 GIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181156660 821668605 /nfs/dbraw/zinc/66/86/05/821668605.db2.gz OKLNTNSQIFAZJL-KRWDZBQOSA-N 1 0 398.528 4.004 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2cccn2)cc1 ZINC000181230747 821708662 /nfs/dbraw/zinc/70/86/62/821708662.db2.gz FHKHYTLRQSTZMQ-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000181283370 821734324 /nfs/dbraw/zinc/73/43/24/821734324.db2.gz YYOZKMBIGGPNKG-PKKBDPGCSA-N 1 0 391.515 4.226 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000181329739 821762432 /nfs/dbraw/zinc/76/24/32/821762432.db2.gz DUAYDOLRSQWTII-JOCHJYFZSA-N 1 0 379.479 4.165 20 30 GIEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181393965 821804307 /nfs/dbraw/zinc/80/43/07/821804307.db2.gz BSAAGTWOTYSIJU-UHFFFAOYSA-N 1 0 377.488 4.343 20 30 GIEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000181407724 821809596 /nfs/dbraw/zinc/80/95/96/821809596.db2.gz ZMCVWHYISLHAAQ-MBSDFSHPSA-N 1 0 379.504 4.085 20 30 GIEDRO CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000181490922 821850043 /nfs/dbraw/zinc/85/00/43/821850043.db2.gz GURGUJZIFCKQSR-HSZRJFAPSA-N 1 0 396.604 4.257 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524872 821866497 /nfs/dbraw/zinc/86/64/97/821866497.db2.gz AUCDCXXBSHUYHN-CJNGLKHVSA-N 1 0 390.833 4.022 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181540137 821873598 /nfs/dbraw/zinc/87/35/98/821873598.db2.gz UDPFSCMLGDOWSC-AWEZNQCLSA-N 1 0 383.517 4.274 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000181570868 821884643 /nfs/dbraw/zinc/88/46/43/821884643.db2.gz KRQQIBPNZMQQPO-GCJKJVERSA-N 1 0 399.560 4.413 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181589730 821892728 /nfs/dbraw/zinc/89/27/28/821892728.db2.gz MPNKUDLJJRANIJ-ZIAGYGMSSA-N 1 0 399.466 4.374 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181589699 821892816 /nfs/dbraw/zinc/89/28/16/821892816.db2.gz MPNKUDLJJRANIJ-UONOGXRCSA-N 1 0 399.466 4.374 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181611699 821903278 /nfs/dbraw/zinc/90/32/78/821903278.db2.gz DCALUKHVVOPMQZ-UHFFFAOYSA-N 1 0 375.472 4.051 20 30 GIEDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)cs1 ZINC000181737097 821969677 /nfs/dbraw/zinc/96/96/77/821969677.db2.gz KZADKNLWQPHDAI-KRWDZBQOSA-N 1 0 398.576 4.171 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(C3CC3)nc3sccn23)ccc1OC ZINC000181796891 821996344 /nfs/dbraw/zinc/99/63/44/821996344.db2.gz XAEAVVVTTZACOH-MRXNPFEDSA-N 1 0 396.516 4.253 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCCC2)c1 ZINC000181872489 822022597 /nfs/dbraw/zinc/02/25/97/822022597.db2.gz SACXSOVGJYKWSQ-OAHLLOKOSA-N 1 0 382.895 4.101 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000182513498 822277133 /nfs/dbraw/zinc/27/71/33/822277133.db2.gz VCTSQTCSXBAHBV-NSHDSACASA-N 1 0 397.784 4.400 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182642879 822335694 /nfs/dbraw/zinc/33/56/94/822335694.db2.gz QDCPYEYZQUSVPZ-UHFFFAOYSA-N 1 0 377.488 4.215 20 30 GIEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)cc1 ZINC000182643874 822335999 /nfs/dbraw/zinc/33/59/99/822335999.db2.gz RVAASJFFDXTSFG-UHFFFAOYSA-N 1 0 397.522 4.378 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182871322 822383332 /nfs/dbraw/zinc/38/33/32/822383332.db2.gz YBGVWGZBFCHORQ-NQIIRXRSSA-N 1 0 382.552 4.131 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000182891686 822387220 /nfs/dbraw/zinc/38/72/20/822387220.db2.gz XRGTWWWXTJXUEV-UHFFFAOYSA-N 1 0 375.394 4.375 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178533653 822388986 /nfs/dbraw/zinc/38/89/86/822388986.db2.gz YSPCNZHDNYXTTC-GGAORHGYSA-N 1 0 388.515 4.385 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000045780095 822412911 /nfs/dbraw/zinc/41/29/11/822412911.db2.gz MUXFOBINHGEUGW-IBGZPJMESA-N 1 0 390.531 4.274 20 30 GIEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000046041182 822437789 /nfs/dbraw/zinc/43/77/89/822437789.db2.gz LHZPEIOKNQKFDS-NRFANRHFSA-N 1 0 398.938 4.436 20 30 GIEDRO CC1CC[NH+](C2CCC(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2)CC1 ZINC000179178497 822447640 /nfs/dbraw/zinc/44/76/40/822447640.db2.gz NZFUZJPMVQGLJD-UHFFFAOYSA-N 1 0 394.563 4.275 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000183331968 822460086 /nfs/dbraw/zinc/46/00/86/822460086.db2.gz IWUVHKXCAQVEKS-SFHVURJKSA-N 1 0 386.540 4.343 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000183332904 822460300 /nfs/dbraw/zinc/46/03/00/822460300.db2.gz RVVWPMMEYWADRP-JOCHJYFZSA-N 1 0 394.950 4.045 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cccc(C#N)c3)sc2C1 ZINC000046518399 822480430 /nfs/dbraw/zinc/48/04/30/822480430.db2.gz GXXITLFTSXIGOK-OAHLLOKOSA-N 1 0 392.528 4.077 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC(F)F)cc1 ZINC000179606870 822511528 /nfs/dbraw/zinc/51/15/28/822511528.db2.gz CXPYYARFPWFOEC-LLVKDONJSA-N 1 0 379.794 4.102 20 30 GIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179703156 822531016 /nfs/dbraw/zinc/53/10/16/822531016.db2.gz RJFUMHNHXPRUCQ-CQSZACIVSA-N 1 0 377.282 4.228 20 30 GIEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000183821560 822532117 /nfs/dbraw/zinc/53/21/17/822532117.db2.gz BECXNIDFIGLPAI-HUUCEWRRSA-N 1 0 399.516 4.058 20 30 GIEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000046956871 822534075 /nfs/dbraw/zinc/53/40/75/822534075.db2.gz UMGHOLXYAGSIQK-UZLBHIALSA-N 1 0 396.922 4.459 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179718142 822534277 /nfs/dbraw/zinc/53/42/77/822534277.db2.gz MELVZSBNLKCSOQ-OAHLLOKOSA-N 1 0 377.391 4.049 20 30 GIEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000179789889 822553527 /nfs/dbraw/zinc/55/35/27/822553527.db2.gz ITTYAAMUVUJIHY-QFBILLFUSA-N 1 0 376.460 4.051 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCCCC4)cn3)CC2)cc1 ZINC000179924012 822577948 /nfs/dbraw/zinc/57/79/48/822577948.db2.gz BIIYSIHDEFWFLS-UHFFFAOYSA-N 1 0 375.520 4.020 20 30 GIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000180047261 822603900 /nfs/dbraw/zinc/60/39/00/822603900.db2.gz SRWCICQCPXMGIG-LJQANCHMSA-N 1 0 377.488 4.049 20 30 GIEDRO CCOc1cc(C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047764537 822607596 /nfs/dbraw/zinc/60/75/96/822607596.db2.gz FUXJNQZFSZODJH-UHFFFAOYSA-N 1 0 392.503 4.005 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000184301695 822611029 /nfs/dbraw/zinc/61/10/29/822611029.db2.gz IOJFZMTZGYJECW-WSTZPKSXSA-N 1 0 392.503 4.152 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 ZINC000184328947 822615891 /nfs/dbraw/zinc/61/58/91/822615891.db2.gz MTGWZCKYZFCARO-CVEARBPZSA-N 1 0 383.492 4.132 20 30 GIEDRO CC(C)(O)C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000180203455 822638869 /nfs/dbraw/zinc/63/88/69/822638869.db2.gz LNSQVIJJNZHKBH-UHFFFAOYSA-N 1 0 389.499 4.011 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184538107 822653568 /nfs/dbraw/zinc/65/35/68/822653568.db2.gz HROKXSRRDFVHRM-OAHLLOKOSA-N 1 0 376.485 4.361 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048458793 822664050 /nfs/dbraw/zinc/66/40/50/822664050.db2.gz ZGBQZWQYTVQKIQ-UHFFFAOYSA-N 1 0 392.503 4.085 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cccc(-c3ccccn3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180336750 822665618 /nfs/dbraw/zinc/66/56/18/822665618.db2.gz BERZSUPBYWIHIP-UHFFFAOYSA-N 1 0 379.467 4.311 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000455640031 822688878 /nfs/dbraw/zinc/68/88/78/822688878.db2.gz NUFMGIRCEWAXCF-UHFFFAOYSA-N 1 0 377.794 4.011 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(I)cc1 ZINC000180556084 822701701 /nfs/dbraw/zinc/70/17/01/822701701.db2.gz OKYISGJWFFOBLN-CYBMUJFWSA-N 1 0 392.240 4.044 20 30 GIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704666 822707632 /nfs/dbraw/zinc/70/76/32/822707632.db2.gz NWBGWHLMVAKASU-CRAIPNDOSA-N 1 0 382.895 4.363 20 30 GIEDRO N#CCc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC000455742551 822718020 /nfs/dbraw/zinc/71/80/20/822718020.db2.gz BRRPPNONMXGNJX-UHFFFAOYSA-N 1 0 382.895 4.324 20 30 GIEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000455911848 822747707 /nfs/dbraw/zinc/74/77/07/822747707.db2.gz WTGGTTUYANWVQH-NQIIRXRSSA-N 1 0 376.504 4.175 20 30 GIEDRO COc1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1OCCCC#N ZINC000051189335 822749873 /nfs/dbraw/zinc/74/98/73/822749873.db2.gz BKMXRPXULFVCRR-UHFFFAOYSA-N 1 0 381.451 4.330 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455932571 822752145 /nfs/dbraw/zinc/75/21/45/822752145.db2.gz QBKIYSKIJJNOAM-FQEVSTJZSA-N 1 0 393.491 4.187 20 30 GIEDRO C[N@H+](CCc1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1)C1CC1 ZINC000455990617 822762734 /nfs/dbraw/zinc/76/27/34/822762734.db2.gz IDTSEUYAFZDJDB-UHFFFAOYSA-N 1 0 375.516 4.402 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000456000990 822764630 /nfs/dbraw/zinc/76/46/30/822764630.db2.gz LSAKZOKXARXQHF-XMSQKQJNSA-N 1 0 376.504 4.384 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1C#N ZINC000174355733 822777195 /nfs/dbraw/zinc/77/71/95/822777195.db2.gz JCXDKJPRQQFPFT-UHFFFAOYSA-N 1 0 397.219 4.221 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358878 822777521 /nfs/dbraw/zinc/77/75/21/822777521.db2.gz BJUJMSMQBDDCGA-LIRRHRJNSA-N 1 0 385.414 4.006 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366447 822778665 /nfs/dbraw/zinc/77/86/65/822778665.db2.gz YPDFPYSDVOLUQQ-MSOLQXFVSA-N 1 0 394.544 4.188 20 30 GIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000051855335 822780680 /nfs/dbraw/zinc/78/06/80/822780680.db2.gz CTBNGEFFKBGSRG-UHFFFAOYSA-N 1 0 388.515 4.334 20 30 GIEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174498062 822797108 /nfs/dbraw/zinc/79/71/08/822797108.db2.gz QSWRVLDHKFFVKF-UHFFFAOYSA-N 1 0 396.466 4.484 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185578635 822798638 /nfs/dbraw/zinc/79/86/38/822798638.db2.gz IROZSIWNZFMZGL-UHFFFAOYSA-O 1 0 394.564 4.472 20 30 GIEDRO Cc1ccc(F)c(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)c1 ZINC000185581661 822798807 /nfs/dbraw/zinc/79/88/07/822798807.db2.gz GPAIROQZZYDLFS-UHFFFAOYSA-O 1 0 390.463 4.344 20 30 GIEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)c1 ZINC000185583192 822799215 /nfs/dbraw/zinc/79/92/15/822799215.db2.gz ZJNPTKANYOTNJW-UHFFFAOYSA-O 1 0 396.495 4.186 20 30 GIEDRO C=CCCCCCN(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000174542903 822803126 /nfs/dbraw/zinc/80/31/26/822803126.db2.gz XQDLRHGOGXOPDM-UHFFFAOYSA-N 1 0 388.556 4.047 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000174579488 822807586 /nfs/dbraw/zinc/80/75/86/822807586.db2.gz BXAYGTOWVDMTHP-LAUBAEHRSA-N 1 0 395.503 4.333 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)oc21 ZINC000052712347 822808239 /nfs/dbraw/zinc/80/82/39/822808239.db2.gz HSMJHZGWLXSEPN-LSDHHAIUSA-N 1 0 377.444 4.381 20 30 GIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000174594450 822809609 /nfs/dbraw/zinc/80/96/09/822809609.db2.gz UKERVNPPEZTDRB-UHFFFAOYSA-N 1 0 384.483 4.466 20 30 GIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C2CC2)cc1 ZINC000052774530 822810045 /nfs/dbraw/zinc/81/00/45/822810045.db2.gz MGGCMHJZCKMUBQ-HNNXBMFYSA-N 1 0 383.517 4.258 20 30 GIEDRO CCCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185805834 822822990 /nfs/dbraw/zinc/82/29/90/822822990.db2.gz GDKIZKHZJSNBNL-IPJJNNNSSA-N 1 0 382.552 4.456 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185818165 822823898 /nfs/dbraw/zinc/82/38/98/822823898.db2.gz KERGXUCGLCLUCU-NEPJUHHUSA-N 1 0 381.423 4.359 20 30 GIEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000185885371 822830155 /nfs/dbraw/zinc/83/01/55/822830155.db2.gz JSOAUXDRFPPMNU-GREBRCKQSA-N 1 0 396.556 4.468 20 30 GIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053421908 822834175 /nfs/dbraw/zinc/83/41/75/822834175.db2.gz OJNWZZVBTOHOHR-URXFXBBRSA-N 1 0 394.515 4.118 20 30 GIEDRO C=CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000186177053 822858371 /nfs/dbraw/zinc/85/83/71/822858371.db2.gz AAYYVJMGODXYLS-QFIPXVFZSA-N 1 0 377.532 4.435 20 30 GIEDRO C[N@H+](CCCCNC(=O)c1ccccc1Sc1ccccc1C#N)C1CC1 ZINC000457199679 822860467 /nfs/dbraw/zinc/86/04/67/822860467.db2.gz LDPHLSNYQVCZSP-UHFFFAOYSA-N 1 0 379.529 4.314 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000175023021 822869123 /nfs/dbraw/zinc/86/91/23/822869123.db2.gz VALCMUIZTXISDD-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000186286305 822870690 /nfs/dbraw/zinc/87/06/90/822870690.db2.gz WOKVUGIOQMHWHQ-UHFFFAOYSA-N 1 0 375.516 4.384 20 30 GIEDRO CC1(C)OCc2cc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)ccc2O1 ZINC000186287141 822870956 /nfs/dbraw/zinc/87/09/56/822870956.db2.gz YXFOGHCACPJUEH-UHFFFAOYSA-N 1 0 378.472 4.247 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCc3ccccc3)CC2)cc1Cl ZINC000054429419 822884385 /nfs/dbraw/zinc/88/43/85/822884385.db2.gz JDDLVVIQSQEWLO-UHFFFAOYSA-N 1 0 397.906 4.221 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720340 822907692 /nfs/dbraw/zinc/90/76/92/822907692.db2.gz SPUDBMHHEGLFSD-WMZHIEFXSA-N 1 0 390.531 4.315 20 30 GIEDRO CC1CC[NH+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000054779832 822912317 /nfs/dbraw/zinc/91/23/17/822912317.db2.gz ZLIWKRVHKOMMTA-UHFFFAOYSA-N 1 0 393.556 4.312 20 30 GIEDRO N#CCCCOc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186592372 822919510 /nfs/dbraw/zinc/91/95/10/822919510.db2.gz IPHJLMKRCNAGOA-UHFFFAOYSA-N 1 0 382.479 4.078 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cccc(C)c1 ZINC000055011168 822930764 /nfs/dbraw/zinc/93/07/64/822930764.db2.gz FEXVIQZPWUPALM-UHFFFAOYSA-O 1 0 387.528 4.402 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)cc1 ZINC000055014007 822931445 /nfs/dbraw/zinc/93/14/45/822931445.db2.gz HFYFFIFNYKDEQK-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186688791 822937665 /nfs/dbraw/zinc/93/76/65/822937665.db2.gz LXTFPKZYVUWDPA-UHFFFAOYSA-N 1 0 380.454 4.185 20 30 GIEDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000055191381 822944622 /nfs/dbraw/zinc/94/46/22/822944622.db2.gz LWHRWMZSAVOKDF-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175359649 822945527 /nfs/dbraw/zinc/94/55/27/822945527.db2.gz AQOXHPDCZZSYAW-MRXNPFEDSA-N 1 0 386.565 4.467 20 30 GIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569626149 822946608 /nfs/dbraw/zinc/94/66/08/822946608.db2.gz YLKKEYBSWOHQIL-UHFFFAOYSA-N 1 0 392.478 4.149 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(C)cc2Br)CC1 ZINC000186775831 822953522 /nfs/dbraw/zinc/95/35/22/822953522.db2.gz DNTWDWAEBANSRK-UHFFFAOYSA-N 1 0 386.721 4.183 20 30 GIEDRO CC(F)(F)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000186993661 822993766 /nfs/dbraw/zinc/99/37/66/822993766.db2.gz QJVQXOGTFVPFKC-UHFFFAOYSA-N 1 0 398.457 4.410 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(OC)c1 ZINC000175550238 822995390 /nfs/dbraw/zinc/99/53/90/822995390.db2.gz ZAPRFKWRZDEMDG-NRFANRHFSA-N 1 0 397.544 4.124 20 30 GIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000570065409 823002380 /nfs/dbraw/zinc/00/23/80/823002380.db2.gz YQDPIQHFIALNKJ-YOEHRIQHSA-N 1 0 375.456 4.127 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175640996 823011319 /nfs/dbraw/zinc/01/13/19/823011319.db2.gz LHWMLSHIJMMSJT-AZUAARDMSA-N 1 0 383.561 4.499 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175641040 823011405 /nfs/dbraw/zinc/01/14/05/823011405.db2.gz LHWMLSHIJMMSJT-ICSRJNTNSA-N 1 0 383.561 4.499 20 30 GIEDRO N#CCSc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000175786769 823040179 /nfs/dbraw/zinc/04/01/79/823040179.db2.gz SJVVJPIMKNUNIH-SEJPIABJSA-N 1 0 391.540 4.228 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000060630780 823549363 /nfs/dbraw/zinc/54/93/63/823549363.db2.gz VROHGLCLSHDYDI-HSZRJFAPSA-N 1 0 390.531 4.173 20 30 GIEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411167287 823553603 /nfs/dbraw/zinc/55/36/03/823553603.db2.gz NTSBDAFLPVCWEI-UHFFFAOYSA-N 1 0 376.435 4.065 20 30 GIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC ZINC000190312259 823561758 /nfs/dbraw/zinc/56/17/58/823561758.db2.gz DAQFMRJQESIIGR-UHFFFAOYSA-N 1 0 398.894 4.092 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCOc3ccc(F)cc3)c2)c1 ZINC000060973819 823570464 /nfs/dbraw/zinc/57/04/64/823570464.db2.gz KHKAROQEUREDRU-UHFFFAOYSA-N 1 0 376.431 4.445 20 30 GIEDRO C[C@@](O)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccsc1 ZINC000124138748 823571049 /nfs/dbraw/zinc/57/10/49/823571049.db2.gz YCFKKRFVFPCNDQ-JOCHJYFZSA-N 1 0 378.497 4.196 20 30 GIEDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411413251 823571445 /nfs/dbraw/zinc/57/14/45/823571445.db2.gz CVIUZFHIRPHMHK-CABCVRRESA-N 1 0 382.533 4.161 20 30 GIEDRO N#Cc1cccc([C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421256 823572256 /nfs/dbraw/zinc/57/22/56/823572256.db2.gz WBEDJFZZYLSAPP-DEOSSOPVSA-N 1 0 375.516 4.118 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000411440762 823574420 /nfs/dbraw/zinc/57/44/20/823574420.db2.gz SRFSUGUBXIJDNR-GOSISDBHSA-N 1 0 383.517 4.187 20 30 GIEDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000411445563 823574984 /nfs/dbraw/zinc/57/49/84/823574984.db2.gz AJMNQTOQLRLSLN-CQSZACIVSA-N 1 0 383.517 4.187 20 30 GIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190455693 823577021 /nfs/dbraw/zinc/57/70/21/823577021.db2.gz LEAKGJVYLWQGGB-CQSZACIVSA-N 1 0 392.528 4.439 20 30 GIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccccc1 ZINC000411458927 823577211 /nfs/dbraw/zinc/57/72/11/823577211.db2.gz RKKNGGPPAHBDQO-DNVCBOLYSA-N 1 0 397.544 4.050 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124239279 823580169 /nfs/dbraw/zinc/58/01/69/823580169.db2.gz AYVJESCRQHQRJC-GOSISDBHSA-N 1 0 378.303 4.166 20 30 GIEDRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000411527705 823584905 /nfs/dbraw/zinc/58/49/05/823584905.db2.gz OUPQLWICDWGWDH-AWEZNQCLSA-N 1 0 396.560 4.302 20 30 GIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411560736 823588216 /nfs/dbraw/zinc/58/82/16/823588216.db2.gz PPOSOTKXDSLJIG-RDJZCZTQSA-N 1 0 377.579 4.091 20 30 GIEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604515 823590543 /nfs/dbraw/zinc/59/05/43/823590543.db2.gz BGEZBLNOCIUGDI-KSSFIOAISA-N 1 0 396.560 4.072 20 30 GIEDRO Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2cc1C ZINC000190611672 823591402 /nfs/dbraw/zinc/59/14/02/823591402.db2.gz DFCDJMHATQUQOP-DYESRHJHSA-N 1 0 387.483 4.373 20 30 GIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190621490 823592606 /nfs/dbraw/zinc/59/26/06/823592606.db2.gz UBLMKTCHTIWWOA-PGRDOPGGSA-N 1 0 375.516 4.005 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000461266398 823608834 /nfs/dbraw/zinc/60/88/34/823608834.db2.gz VIIATVHFKVJVJA-GOSISDBHSA-N 1 0 395.478 4.436 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000461266399 823608861 /nfs/dbraw/zinc/60/88/61/823608861.db2.gz VIIATVHFKVJVJA-SFHVURJKSA-N 1 0 395.478 4.436 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000461461655 823642441 /nfs/dbraw/zinc/64/24/41/823642441.db2.gz WUMPTZSFXKREJY-UHFFFAOYSA-N 1 0 376.891 4.125 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000062897795 823647294 /nfs/dbraw/zinc/64/72/94/823647294.db2.gz UTXUVJLNSBQHDN-UHFFFAOYSA-N 1 0 381.476 4.265 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000125265021 823663394 /nfs/dbraw/zinc/66/33/94/823663394.db2.gz ZLHLPZHHRGLNNB-HXUWFJFHSA-N 1 0 383.442 4.039 20 30 GIEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000063381209 823666144 /nfs/dbraw/zinc/66/61/44/823666144.db2.gz FADXMJUDSSTVNB-FYYLOGMGSA-N 1 0 396.487 4.038 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000063399996 823668049 /nfs/dbraw/zinc/66/80/49/823668049.db2.gz JEXAYWTXLXEDIM-HSZRJFAPSA-N 1 0 388.515 4.093 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000191474632 823688972 /nfs/dbraw/zinc/68/89/72/823688972.db2.gz NUXYHHYDRLLOSQ-UHFFFAOYSA-N 1 0 384.455 4.295 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000191490867 823690557 /nfs/dbraw/zinc/69/05/57/823690557.db2.gz OTUPFNRNVDFUIM-UHFFFAOYSA-N 1 0 385.552 4.115 20 30 GIEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191577075 823703056 /nfs/dbraw/zinc/70/30/56/823703056.db2.gz FUZPIKKIVUFFJC-KRWDZBQOSA-N 1 0 393.535 4.304 20 30 GIEDRO CCc1nc(C(C)C)ccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000574342180 823705129 /nfs/dbraw/zinc/70/51/29/823705129.db2.gz LBBCTWJXNIPOMS-UHFFFAOYSA-N 1 0 376.548 4.347 20 30 GIEDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000574384702 823715661 /nfs/dbraw/zinc/71/56/61/823715661.db2.gz ZDXUQBFCSMAIMA-MHECFPHRSA-N 1 0 388.515 4.071 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)N[C@@H](C)Cc2ccccc2)cc1 ZINC000191697934 823739485 /nfs/dbraw/zinc/73/94/85/823739485.db2.gz NMTSZWFKQQPQQM-IBGZPJMESA-O 1 0 389.544 4.442 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000461910595 823750466 /nfs/dbraw/zinc/75/04/66/823750466.db2.gz NWWXLONLXAEUHQ-ZCNNSNEGSA-N 1 0 389.543 4.456 20 30 GIEDRO Cc1cc(S[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000574637364 823787552 /nfs/dbraw/zinc/78/75/52/823787552.db2.gz JSDMJJJYDPXWNK-SFHVURJKSA-N 1 0 393.556 4.128 20 30 GIEDRO CC(C)Cc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000574717448 823807701 /nfs/dbraw/zinc/80/77/01/823807701.db2.gz LJMRABRILOHBRP-FQEVSTJZSA-N 1 0 385.458 4.068 20 30 GIEDRO C=CCC1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCC1 ZINC000191919763 823811869 /nfs/dbraw/zinc/81/18/69/823811869.db2.gz RNWYIDRKFOXNSG-UHFFFAOYSA-N 1 0 376.928 4.046 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000126235245 823817640 /nfs/dbraw/zinc/81/76/40/823817640.db2.gz CMCUHMZZWQXEAG-HZPDHXFCSA-N 1 0 385.895 4.335 20 30 GIEDRO CC[C@H](Sc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000413697347 823819639 /nfs/dbraw/zinc/81/96/39/823819639.db2.gz PMEWBBSSFJJIOH-NRFANRHFSA-N 1 0 393.556 4.232 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000574804075 823831815 /nfs/dbraw/zinc/83/18/15/823831815.db2.gz QDXXMUGWMFOJKT-CEWLAPEOSA-N 1 0 384.907 4.072 20 30 GIEDRO C=CCOc1cccc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)c1 ZINC000192036013 823839612 /nfs/dbraw/zinc/83/96/12/823839612.db2.gz UALDZBUSIZNDRE-UHFFFAOYSA-N 1 0 386.517 4.264 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000413826528 823846377 /nfs/dbraw/zinc/84/63/77/823846377.db2.gz ICJPLGYDXWYKLU-QHCPKHFHSA-N 1 0 391.559 4.480 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000413830065 823846708 /nfs/dbraw/zinc/84/67/08/823846708.db2.gz XIFFBPCUJNDVNT-HXUWFJFHSA-N 1 0 381.520 4.073 20 30 GIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644391 823856911 /nfs/dbraw/zinc/85/69/11/823856911.db2.gz ZMVAJCNTCSVNLK-NRFANRHFSA-N 1 0 397.588 4.400 20 30 GIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000126405110 823858958 /nfs/dbraw/zinc/85/89/58/823858958.db2.gz KCXITQSYGXJIIR-VWLOTQADSA-N 1 0 396.494 4.175 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408152 823859537 /nfs/dbraw/zinc/85/95/37/823859537.db2.gz BVTFHCHUBOGGFZ-PMACEKPBSA-N 1 0 390.531 4.273 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC000192098142 823859577 /nfs/dbraw/zinc/85/95/77/823859577.db2.gz RRAUEMVAKCAFLV-GOSISDBHSA-N 1 0 380.467 4.040 20 30 GIEDRO C[C@H](C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210883 823873740 /nfs/dbraw/zinc/87/37/40/823873740.db2.gz GZILZWKDHOGPCM-FDDCHVKYSA-N 1 0 389.543 4.251 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192142196 823877589 /nfs/dbraw/zinc/87/75/89/823877589.db2.gz PWMKJKPBILAGHK-ROUUACIJSA-N 1 0 393.231 4.219 20 30 GIEDRO CC(C)COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000126474177 823877765 /nfs/dbraw/zinc/87/77/65/823877765.db2.gz LFGKVBRKLJRPKP-UHFFFAOYSA-N 1 0 394.519 4.189 20 30 GIEDRO C[C@@H](C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000462272742 823908745 /nfs/dbraw/zinc/90/87/45/823908745.db2.gz VWKCWQDEVCNOKW-GOSISDBHSA-N 1 0 395.934 4.440 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)ccc1C)C(=S)NCC(F)(F)F ZINC000170637243 823923601 /nfs/dbraw/zinc/92/36/01/823923601.db2.gz FBTAXAHSQYUDEG-UHFFFAOYSA-O 1 0 395.470 4.244 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c(C)c1)C(=S)NCC(F)(F)F ZINC000170637274 823923882 /nfs/dbraw/zinc/92/38/82/823923882.db2.gz KOJWXZAOIYIIFD-UHFFFAOYSA-O 1 0 395.470 4.244 20 30 GIEDRO COc1ccc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000575322711 823954687 /nfs/dbraw/zinc/95/46/87/823954687.db2.gz RWPZTIUGKGLWSX-XMMPIXPASA-N 1 0 393.531 4.132 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192366356 823960593 /nfs/dbraw/zinc/96/05/93/823960593.db2.gz VGYLZOYBVROGID-YJBOKZPZSA-N 1 0 395.528 4.250 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000126994515 823996711 /nfs/dbraw/zinc/99/67/11/823996711.db2.gz XQGMILVFAORWIE-SFHVURJKSA-N 1 0 378.476 4.074 20 30 GIEDRO CC(C)c1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)NC(=O)OC(C)(C)C)cc1 ZINC000170915055 824003924 /nfs/dbraw/zinc/00/39/24/824003924.db2.gz AXYABXHVNSZGGY-GOSISDBHSA-N 1 0 397.523 4.198 20 30 GIEDRO CC(C)c1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)NC(=O)OC(C)(C)C)cc1 ZINC000170915056 824004180 /nfs/dbraw/zinc/00/41/80/824004180.db2.gz AXYABXHVNSZGGY-SFHVURJKSA-N 1 0 397.523 4.198 20 30 GIEDRO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)cc1 ZINC000575832927 824006654 /nfs/dbraw/zinc/00/66/54/824006654.db2.gz OLLIFSITGQTZCS-UHFFFAOYSA-N 1 0 376.460 4.418 20 30 GIEDRO COc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)ccc1OC(F)F ZINC000170930808 824007861 /nfs/dbraw/zinc/00/78/61/824007861.db2.gz LTSLTLIHOOMHEB-UHFFFAOYSA-N 1 0 388.414 4.212 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000127070628 824010927 /nfs/dbraw/zinc/01/09/27/824010927.db2.gz JMRVWULDTSYYEX-QFBILLFUSA-N 1 0 376.928 4.260 20 30 GIEDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1OCCCC#N ZINC000414559470 824012651 /nfs/dbraw/zinc/01/26/51/824012651.db2.gz PWBIZULOCNMWMF-NRFANRHFSA-N 1 0 380.488 4.421 20 30 GIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000575889824 824020774 /nfs/dbraw/zinc/02/07/74/824020774.db2.gz PUIBSCOIFJIGGT-ZEQRLZLVSA-N 1 0 375.516 4.345 20 30 GIEDRO N#Cc1cc(Cl)cc(Br)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000575891767 824021745 /nfs/dbraw/zinc/02/17/45/824021745.db2.gz OZHYRWLLDOXLSQ-UHFFFAOYSA-N 1 0 398.732 4.031 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000170982714 824027080 /nfs/dbraw/zinc/02/70/80/824027080.db2.gz GAKGDTSAUVQGSG-UHFFFAOYSA-N 1 0 397.382 4.088 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)cc2Cl)cc1 ZINC000414958549 824053646 /nfs/dbraw/zinc/05/36/46/824053646.db2.gz DHLILMHTHDUICI-HNNXBMFYSA-N 1 0 384.867 4.125 20 30 GIEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000414965131 824054693 /nfs/dbraw/zinc/05/46/93/824054693.db2.gz NCLOZGFUXXFINL-HOCLYGCPSA-N 1 0 398.894 4.453 20 30 GIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726122 720339004 /nfs/dbraw/zinc/33/90/04/720339004.db2.gz PUQHOQRRBAMJCW-GOTSBHOMSA-N 1 0 399.473 4.008 20 30 GIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726112 720339406 /nfs/dbraw/zinc/33/94/06/720339406.db2.gz PUQHOQRRBAMJCW-DHIUTWEWSA-N 1 0 399.473 4.008 20 30 GIEDRO Cc1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164793760 721490811 /nfs/dbraw/zinc/49/08/11/721490811.db2.gz VNHGDCWXKMXTAB-UHFFFAOYSA-N 1 0 395.938 4.191 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793771 721491189 /nfs/dbraw/zinc/49/11/89/721491189.db2.gz VTAUXYNPICKFGV-UHFFFAOYSA-N 1 0 389.547 4.353 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021542 721802761 /nfs/dbraw/zinc/80/27/61/721802761.db2.gz HKXRZSWNFPCYHF-XKCSPQBFSA-N 1 0 389.547 4.209 20 30 GIEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165045871 721965871 /nfs/dbraw/zinc/96/58/71/721965871.db2.gz CMJBGENFGCHYLJ-VXKWHMMOSA-N 1 0 389.547 4.285 20 30 GIEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165045870 721966028 /nfs/dbraw/zinc/96/60/28/721966028.db2.gz CMJBGENFGCHYLJ-FGZHOGPDSA-N 1 0 389.547 4.285 20 30 GIEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995492 722191698 /nfs/dbraw/zinc/19/16/98/722191698.db2.gz VFHOIUNOIGCDHF-FQEVSTJZSA-N 1 0 388.849 4.130 20 30 GIEDRO C[C@@H](NC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1 ZINC000570487976 823045187 /nfs/dbraw/zinc/04/51/87/823045187.db2.gz FKVKAGYSJXIUMC-WZONZLPQSA-N 1 0 375.516 4.035 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000056016062 823079195 /nfs/dbraw/zinc/07/91/95/823079195.db2.gz DHXXOVXSZWSPHH-UHFFFAOYSA-N 1 0 398.869 4.036 20 30 GIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153165 823090008 /nfs/dbraw/zinc/09/00/08/823090008.db2.gz BWPFUNNFWHLJOY-MOPGFXCFSA-N 1 0 393.531 4.403 20 30 GIEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458835303 823094987 /nfs/dbraw/zinc/09/49/87/823094987.db2.gz JXFZWEXDQNGTKW-FQEVSTJZSA-N 1 0 384.549 4.256 20 30 GIEDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000120978405 823096466 /nfs/dbraw/zinc/09/64/66/823096466.db2.gz WEGVOCGXTGDLEF-WMZOPIPTSA-N 1 0 387.549 4.074 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000571182111 823145025 /nfs/dbraw/zinc/14/50/25/823145025.db2.gz JOEJWJFZCMKRGS-SFHVURJKSA-N 1 0 385.581 4.203 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000571185734 823145502 /nfs/dbraw/zinc/14/55/02/823145502.db2.gz CSDPXXHNIPDOCI-UHFFFAOYSA-N 1 0 392.503 4.120 20 30 GIEDRO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(Br)c1O ZINC000459306799 823159464 /nfs/dbraw/zinc/15/94/64/823159464.db2.gz RPPJYRONVIUAMA-UHFFFAOYSA-N 1 0 375.266 4.057 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302378 823162327 /nfs/dbraw/zinc/16/23/27/823162327.db2.gz LKQXXQQKAVYEEA-VGSWGCGISA-N 1 0 382.479 4.232 20 30 GIEDRO N#Cc1cnc2c(Cl)cccc2c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000571436344 823182594 /nfs/dbraw/zinc/18/25/94/823182594.db2.gz UUKSANORUVJHGB-UHFFFAOYSA-N 1 0 384.911 4.207 20 30 GIEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000188083417 823183950 /nfs/dbraw/zinc/18/39/50/823183950.db2.gz UQPIDXAMQCULOH-SFHVURJKSA-N 1 0 377.488 4.046 20 30 GIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccco1 ZINC000571545133 823198691 /nfs/dbraw/zinc/19/86/91/823198691.db2.gz SOACQCPAAGAQLV-LJQANCHMSA-N 1 0 376.522 4.106 20 30 GIEDRO CN(C(=O)C[NH+]1CCC(CCC#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000571555821 823199829 /nfs/dbraw/zinc/19/98/29/823199829.db2.gz BSKAPOJIDSJHOA-DEOSSOPVSA-N 1 0 393.506 4.389 20 30 GIEDRO Cc1nc2scc(C3CC3)n2c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000459562515 823220948 /nfs/dbraw/zinc/22/09/48/823220948.db2.gz QHOBFYXEMDLVTD-UHFFFAOYSA-N 1 0 393.560 4.017 20 30 GIEDRO C[C@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459640468 823235488 /nfs/dbraw/zinc/23/54/88/823235488.db2.gz LEMHHZNOFVVFMF-MRXNPFEDSA-N 1 0 396.560 4.223 20 30 GIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167222 823257730 /nfs/dbraw/zinc/25/77/30/823257730.db2.gz CZHDNGIIJRFVIX-UHFFFAOYSA-N 1 0 396.494 4.015 20 30 GIEDRO CCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCC1 ZINC000459810305 823266440 /nfs/dbraw/zinc/26/64/40/823266440.db2.gz TXJQXAZYJDGAJC-FQEVSTJZSA-N 1 0 382.508 4.115 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000122080365 823303111 /nfs/dbraw/zinc/30/31/11/823303111.db2.gz SBDVFZTZRJZUOO-UHFFFAOYSA-O 1 0 377.892 4.043 20 30 GIEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000122090007 823304938 /nfs/dbraw/zinc/30/49/38/823304938.db2.gz GHVBWZYLUDRBQM-ZDUSSCGKSA-O 1 0 379.908 4.402 20 30 GIEDRO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000176916098 823323464 /nfs/dbraw/zinc/32/34/64/823323464.db2.gz OOOFUGQKNOJARZ-UHFFFAOYSA-N 1 0 395.528 4.375 20 30 GIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)s1 ZINC000176954484 823333578 /nfs/dbraw/zinc/33/35/78/823333578.db2.gz YFDDOSPHJOXIAJ-UHFFFAOYSA-N 1 0 380.435 4.477 20 30 GIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000057942864 823349163 /nfs/dbraw/zinc/34/91/63/823349163.db2.gz WCLLCHHIAPGKIO-RBBKRZOGSA-N 1 0 397.515 4.009 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2Br)cc1 ZINC000176990897 823343964 /nfs/dbraw/zinc/34/39/64/823343964.db2.gz INZVEOXFNVVKDK-CABCVRRESA-N 1 0 389.293 4.297 20 30 GIEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000572508831 823351850 /nfs/dbraw/zinc/35/18/50/823351850.db2.gz NTWPCSAKOMMSGX-UGKGYDQZSA-N 1 0 393.531 4.104 20 30 GIEDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)n(-c2ccccc2)n1 ZINC000122488484 823361926 /nfs/dbraw/zinc/36/19/26/823361926.db2.gz VEJCAQKVDKJRLH-LJQANCHMSA-N 1 0 387.531 4.251 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)s1 ZINC000022730101 818852037 /nfs/dbraw/zinc/85/20/37/818852037.db2.gz ZTIVDRZUDPZKBC-UHFFFAOYSA-O 1 0 396.561 4.461 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NC)[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000022734699 818852991 /nfs/dbraw/zinc/85/29/91/818852991.db2.gz LXETVWHMQDCFKL-UHFFFAOYSA-O 1 0 389.544 4.286 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000023604012 818963474 /nfs/dbraw/zinc/96/34/74/818963474.db2.gz KNVJPFCTOZSYKC-UHFFFAOYSA-O 1 0 382.484 4.417 20 30 GIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(Br)s2)cc1OC ZINC000063560331 823679330 /nfs/dbraw/zinc/67/93/30/823679330.db2.gz DCOGKWAMMGEBNE-UHFFFAOYSA-N 1 0 382.323 4.416 20 30 GIEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122656311 823388968 /nfs/dbraw/zinc/38/89/68/823388968.db2.gz ZIBCKBLXAMXIAF-NTKDMRAZSA-N 1 0 379.500 4.114 20 30 GIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122655710 823388974 /nfs/dbraw/zinc/38/89/74/823388974.db2.gz ZIBCKBLXAMXIAF-CYFREDJKSA-N 1 0 379.500 4.114 20 30 GIEDRO C=CCn1c(SC[C@H](C)[NH+](C)C)nc2scc(-c3cccs3)c2c1=O ZINC000460438408 823389631 /nfs/dbraw/zinc/38/96/31/823389631.db2.gz SQDQJNRQKKZEBN-LBPRGKRZSA-N 1 0 391.587 4.415 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460544729 823426067 /nfs/dbraw/zinc/42/60/67/823426067.db2.gz PGAMKXFGGXBNFT-MJGOQNOKSA-N 1 0 383.515 4.032 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000024825495 819881782 /nfs/dbraw/zinc/88/17/82/819881782.db2.gz WAQOKHLQIVVAFM-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000025233011 819946934 /nfs/dbraw/zinc/94/69/34/819946934.db2.gz LJXCLPMGSGKIOX-KNQAVFIVSA-N 1 0 397.515 4.009 20 30 GIEDRO C=CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000189539874 823440128 /nfs/dbraw/zinc/44/01/28/823440128.db2.gz OBHLDCPOCOQBSD-OFNKIYASSA-N 1 0 392.543 4.363 20 30 GIEDRO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000025641162 820010031 /nfs/dbraw/zinc/01/00/31/820010031.db2.gz WHFXJLSLGRLTPY-IBGZPJMESA-N 1 0 395.506 4.402 20 30 GIEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cc2c(F)cccc2C#N)c1 ZINC000573116137 823449604 /nfs/dbraw/zinc/44/96/04/823449604.db2.gz PNPCVBRFESKKMN-UHFFFAOYSA-N 1 0 381.495 4.178 20 30 GIEDRO CCSc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)ccn1 ZINC000189582515 823451595 /nfs/dbraw/zinc/45/15/95/823451595.db2.gz TXAYFARMSHZKKB-UHFFFAOYSA-N 1 0 377.517 4.261 20 30 GIEDRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410311948 823460143 /nfs/dbraw/zinc/46/01/43/823460143.db2.gz KWFFRJXVNRFCLN-SFHVURJKSA-N 1 0 375.944 4.119 20 30 GIEDRO CNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000027301993 820223264 /nfs/dbraw/zinc/22/32/64/820223264.db2.gz CVEFECTYYXCGRU-UHFFFAOYSA-O 1 0 381.565 4.245 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000027324892 820224828 /nfs/dbraw/zinc/22/48/28/820224828.db2.gz LXYIGPXHPWQBAQ-UHFFFAOYSA-O 1 0 398.596 4.492 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1 ZINC000027479721 820250111 /nfs/dbraw/zinc/25/01/11/820250111.db2.gz VGNCWDVYTXLEDJ-UHFFFAOYSA-O 1 0 387.594 4.379 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573261417 823472520 /nfs/dbraw/zinc/47/25/20/823472520.db2.gz BDTFXUPBAFQEBO-HSZRJFAPSA-N 1 0 390.531 4.002 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000123217265 823480247 /nfs/dbraw/zinc/48/02/47/823480247.db2.gz ASTNYQQNVDWTBS-DOTOQJQBSA-N 1 0 381.451 4.044 20 30 GIEDRO N#Cc1cccc(OCC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000573333583 823481190 /nfs/dbraw/zinc/48/11/90/823481190.db2.gz WKZUZQVVRFIEFY-UHFFFAOYSA-N 1 0 388.870 4.111 20 30 GIEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000573365014 823485150 /nfs/dbraw/zinc/48/51/50/823485150.db2.gz ZNQXKEXOKBLRNF-UHFFFAOYSA-N 1 0 377.879 4.231 20 30 GIEDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccccc4C#N)CC3)oc21 ZINC000189816191 823500989 /nfs/dbraw/zinc/50/09/89/823500989.db2.gz ZFJKUUJBJMUUHK-UHFFFAOYSA-N 1 0 388.471 4.216 20 30 GIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460795059 823514374 /nfs/dbraw/zinc/51/43/74/823514374.db2.gz RJNBCTDXVQKPIW-PMACEKPBSA-N 1 0 397.567 4.051 20 30 GIEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460804540 823517115 /nfs/dbraw/zinc/51/71/15/823517115.db2.gz QBJQYUAWSPMKHN-LJQANCHMSA-N 1 0 391.519 4.215 20 30 GIEDRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)c1ccc(C#N)cc1 ZINC000177760967 823521906 /nfs/dbraw/zinc/52/19/06/823521906.db2.gz KFDDZUZSHZPSPS-IBGZPJMESA-N 1 0 396.878 4.207 20 30 GIEDRO N#CC(CC[NH+]1CCN(c2ccccn2)CC1)(c1ccccc1)c1ccccc1 ZINC000034650404 821062034 /nfs/dbraw/zinc/06/20/34/821062034.db2.gz KATQCSDMLKHSST-UHFFFAOYSA-N 1 0 382.511 4.104 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000177777974 823524985 /nfs/dbraw/zinc/52/49/85/823524985.db2.gz UOGGGPISEXLMMW-KRWDZBQOSA-N 1 0 382.895 4.309 20 30 GIEDRO CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043712166 821444465 /nfs/dbraw/zinc/44/44/65/821444465.db2.gz BUHJICNFYUTOFC-JOCHJYFZSA-N 1 0 378.520 4.173 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1 ZINC000180786944 821457938 /nfs/dbraw/zinc/45/79/38/821457938.db2.gz XQVBRVHNXKFKIP-CQSZACIVSA-N 1 0 394.849 4.177 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000043993328 821499370 /nfs/dbraw/zinc/49/93/70/821499370.db2.gz QXCUNHAUDBOGHI-KRWDZBQOSA-N 1 0 380.492 4.162 20 30 GIEDRO CCCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000180881242 821510522 /nfs/dbraw/zinc/51/05/22/821510522.db2.gz UYCVBORYKSSVIV-NXDJFEHLSA-N 1 0 396.318 4.341 20 30 GIEDRO CCCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000180881260 821510654 /nfs/dbraw/zinc/51/06/54/821510654.db2.gz UYCVBORYKSSVIV-OZNQOIHVSA-N 1 0 396.318 4.341 20 30 GIEDRO CCCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044204701 821545869 /nfs/dbraw/zinc/54/58/69/821545869.db2.gz YZNZWEWHQAWGPP-UHFFFAOYSA-N 1 0 392.503 4.087 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OC ZINC000181118996 821644280 /nfs/dbraw/zinc/64/42/80/821644280.db2.gz IKVRZKGQLUPOFK-UHFFFAOYSA-N 1 0 395.425 4.312 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000181301406 821743926 /nfs/dbraw/zinc/74/39/26/821743926.db2.gz MQNKUZRKNNEVGF-LJQANCHMSA-N 1 0 384.483 4.346 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000181329713 821762493 /nfs/dbraw/zinc/76/24/93/821762493.db2.gz DUAYDOLRSQWTII-QFIPXVFZSA-N 1 0 379.479 4.165 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000181509234 821859804 /nfs/dbraw/zinc/85/98/04/821859804.db2.gz YREYEJVIDXUSGT-MRXNPFEDSA-N 1 0 385.458 4.475 20 30 GIEDRO CCCC(=O)Nc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181514276 821862332 /nfs/dbraw/zinc/86/23/32/821862332.db2.gz WDYRCEDONJDVMX-UHFFFAOYSA-N 1 0 390.531 4.051 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000181531566 821869884 /nfs/dbraw/zinc/86/98/84/821869884.db2.gz KHVXWOUKJMUTJE-UHFFFAOYSA-N 1 0 385.479 4.450 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181540153 821873680 /nfs/dbraw/zinc/87/36/80/821873680.db2.gz UDPFSCMLGDOWSC-CQSZACIVSA-N 1 0 383.517 4.274 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3coc(-c4cccs4)n3)CC2)cc1 ZINC000181582077 821888143 /nfs/dbraw/zinc/88/81/43/821888143.db2.gz AMEJYLIWOTWFTC-UHFFFAOYSA-N 1 0 378.501 4.029 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181590680 821893469 /nfs/dbraw/zinc/89/34/69/821893469.db2.gz MXNRAIQSWVZZIZ-LJQANCHMSA-N 1 0 397.450 4.410 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3Br)CC2)cc1 ZINC000181626659 821910710 /nfs/dbraw/zinc/91/07/10/821910710.db2.gz YRRZQVQVHKASPL-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000181648021 821921561 /nfs/dbraw/zinc/92/15/61/821921561.db2.gz UQCYQYNXBXRHBB-INIZCTEOSA-N 1 0 379.508 4.166 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc2ccccc21 ZINC000181663923 821930481 /nfs/dbraw/zinc/93/04/81/821930481.db2.gz XQLTXJJLRUMEEM-KRWDZBQOSA-N 1 0 395.466 4.186 20 30 GIEDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)cs1 ZINC000181737116 821969632 /nfs/dbraw/zinc/96/96/32/821969632.db2.gz KZADKNLWQPHDAI-QGZVFWFLSA-N 1 0 398.576 4.171 20 30 GIEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc(C#N)c1 ZINC000181748512 821975198 /nfs/dbraw/zinc/97/51/98/821975198.db2.gz SXDDGTXXZLOFOS-KRWDZBQOSA-N 1 0 385.471 4.126 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181882257 822025405 /nfs/dbraw/zinc/02/54/05/822025405.db2.gz XAEPVXJFHBMBLB-HNNXBMFYSA-N 1 0 382.533 4.126 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCC2)c1 ZINC000181881693 822025428 /nfs/dbraw/zinc/02/54/28/822025428.db2.gz DVEZUVHWQZBCHT-OAHLLOKOSA-N 1 0 382.895 4.101 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955896 822045419 /nfs/dbraw/zinc/04/54/19/822045419.db2.gz MKIOXXNJODGNCG-QFBILLFUSA-N 1 0 379.460 4.129 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(F)c1F ZINC000181956300 822045443 /nfs/dbraw/zinc/04/54/43/822045443.db2.gz KFNNPXDQDYCVRK-GFCCVEGCSA-N 1 0 389.471 4.456 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182042814 822071336 /nfs/dbraw/zinc/07/13/36/822071336.db2.gz IXWRXZWIOSLFBV-LJQANCHMSA-N 1 0 389.499 4.299 20 30 GIEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182059277 822077887 /nfs/dbraw/zinc/07/78/87/822077887.db2.gz YLYSYJJQCQLYEP-GOSISDBHSA-N 1 0 377.488 4.154 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178242112 822357871 /nfs/dbraw/zinc/35/78/71/822357871.db2.gz ICPWNHYJNXXUIJ-GGAORHGYSA-N 1 0 388.515 4.385 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000178369156 822371962 /nfs/dbraw/zinc/37/19/62/822371962.db2.gz RTSZLQPWEYOPHX-AWEZNQCLSA-N 1 0 376.850 4.495 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000178560207 822392019 /nfs/dbraw/zinc/39/20/19/822392019.db2.gz AGHUWVHAILBZFY-UHFFFAOYSA-N 1 0 376.504 4.243 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098736 822424171 /nfs/dbraw/zinc/42/41/71/822424171.db2.gz VVOIKMNNTPBDPY-AUUYWEPGSA-N 1 0 385.414 4.006 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1OCCCC#N ZINC000183106262 822425388 /nfs/dbraw/zinc/42/53/88/822425388.db2.gz FXYHNWOHQRATCE-UHFFFAOYSA-N 1 0 390.487 4.162 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183398637 822468184 /nfs/dbraw/zinc/46/81/84/822468184.db2.gz CBSQDHOGKQWXJP-LAUBAEHRSA-N 1 0 393.556 4.488 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000179388213 822475230 /nfs/dbraw/zinc/47/52/30/822475230.db2.gz LGDAZRGMQWDNQQ-SJORKVTESA-N 1 0 387.524 4.103 20 30 GIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463101 822486387 /nfs/dbraw/zinc/48/63/87/822486387.db2.gz LCXUFBLBLCRYLK-MRXNPFEDSA-N 1 0 389.459 4.450 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179514100 822494403 /nfs/dbraw/zinc/49/44/03/822494403.db2.gz DNFDCTMNALZBIP-SJORKVTESA-N 1 0 397.906 4.267 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000179592224 822508750 /nfs/dbraw/zinc/50/87/50/822508750.db2.gz HBCBOCHLHDQIIP-HZPDHXFCSA-N 1 0 387.430 4.274 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179612250 822512634 /nfs/dbraw/zinc/51/26/34/822512634.db2.gz PWQZIDSCTZVNQB-LLVKDONJSA-N 1 0 379.432 4.127 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000179611658 822512641 /nfs/dbraw/zinc/51/26/41/822512641.db2.gz XDDILROZOTYCQW-NSHDSACASA-N 1 0 379.794 4.102 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000183724560 822517125 /nfs/dbraw/zinc/51/71/25/822517125.db2.gz VRGCXWDXNZMINB-ZDUSSCGKSA-N 1 0 394.500 4.489 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000183735419 822519017 /nfs/dbraw/zinc/51/90/17/822519017.db2.gz OLGNJLKDJASUQW-CQSZACIVSA-N 1 0 376.485 4.280 20 30 GIEDRO C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454725006 822523961 /nfs/dbraw/zinc/52/39/61/822523961.db2.gz UUMHOIMWKRJCER-REWPJTCUSA-N 1 0 390.531 4.195 20 30 GIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000454814682 822539574 /nfs/dbraw/zinc/53/95/74/822539574.db2.gz WIXVIHNWCBGYKH-UHFFFAOYSA-N 1 0 389.543 4.216 20 30 GIEDRO COc1ccccc1COC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000179755731 822544058 /nfs/dbraw/zinc/54/40/58/822544058.db2.gz ILVONSYKZWWIDA-UHFFFAOYSA-N 1 0 380.488 4.017 20 30 GIEDRO CCC[N@H+](C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000455047148 822579739 /nfs/dbraw/zinc/57/97/39/822579739.db2.gz PIZFNMIWDUWLFF-SNRMKQJTSA-N 1 0 376.932 4.104 20 30 GIEDRO C#CCCOc1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184173036 822590537 /nfs/dbraw/zinc/59/05/37/822590537.db2.gz ZYISLLQFQNAATA-UHFFFAOYSA-N 1 0 379.435 4.000 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180018553 822597708 /nfs/dbraw/zinc/59/77/08/822597708.db2.gz VGXGPZVKVDEDJW-GOSISDBHSA-N 1 0 392.503 4.106 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1OC ZINC000047687932 822599760 /nfs/dbraw/zinc/59/97/60/822599760.db2.gz CPEXGPSCAUPENB-UHFFFAOYSA-N 1 0 388.467 4.444 20 30 GIEDRO Cn1cc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180032445 822601406 /nfs/dbraw/zinc/60/14/06/822601406.db2.gz USMXVZQHFMBONH-UHFFFAOYSA-N 1 0 384.405 4.310 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000180038761 822602373 /nfs/dbraw/zinc/60/23/73/822602373.db2.gz DOCQRTQVGKPGPH-NQIIRXRSSA-N 1 0 392.503 4.245 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180038787 822602460 /nfs/dbraw/zinc/60/24/60/822602460.db2.gz YREYIWWVYFGYDD-IRXDYDNUSA-N 1 0 398.532 4.073 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180038803 822602477 /nfs/dbraw/zinc/60/24/77/822602477.db2.gz YREYIWWVYFGYDD-SJORKVTESA-N 1 0 398.532 4.073 20 30 GIEDRO Cn1cc(C[NH2+][C@H]2CCSc3c(F)cccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180041616 822602855 /nfs/dbraw/zinc/60/28/55/822602855.db2.gz RJYJHGUAFJVKIN-IBGZPJMESA-N 1 0 378.476 4.425 20 30 GIEDRO C=CCC[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000180050081 822604356 /nfs/dbraw/zinc/60/43/56/822604356.db2.gz XVNHDELEYMSAJC-SFHVURJKSA-N 1 0 387.409 4.478 20 30 GIEDRO N#CCCCOc1cccnc1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000184288496 822609208 /nfs/dbraw/zinc/60/92/08/822609208.db2.gz KTJKPCUREPEQFC-UHFFFAOYSA-N 1 0 383.345 4.456 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184517406 822649518 /nfs/dbraw/zinc/64/95/18/822649518.db2.gz XHJBVXJKUUJHJX-OAHLLOKOSA-N 1 0 376.485 4.361 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000180281033 822654255 /nfs/dbraw/zinc/65/42/55/822654255.db2.gz FKTNAIVKXVVFNQ-HNNXBMFYSA-N 1 0 375.432 4.026 20 30 GIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184548064 822655197 /nfs/dbraw/zinc/65/51/97/822655197.db2.gz BYYRALQFGBBRDB-JKSUJKDBSA-N 1 0 384.549 4.086 20 30 GIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327902 822664265 /nfs/dbraw/zinc/66/42/65/822664265.db2.gz RENJLTMRQXWMQE-YADHBBJMSA-N 1 0 376.431 4.141 20 30 GIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)C(C)C ZINC000455498159 822666155 /nfs/dbraw/zinc/66/61/55/822666155.db2.gz BZQHHVUGYJNISM-FQEVSTJZSA-N 1 0 382.508 4.470 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000180425765 822679660 /nfs/dbraw/zinc/67/96/60/822679660.db2.gz SZLZEAFBPLALIW-LSDHHAIUSA-N 1 0 398.488 4.136 20 30 GIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455707070 822708518 /nfs/dbraw/zinc/70/85/18/822708518.db2.gz VLFSSONHBBLQAY-LJQANCHMSA-N 1 0 389.543 4.469 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(Cl)c1 ZINC000455741965 822718018 /nfs/dbraw/zinc/71/80/18/822718018.db2.gz BFGKCHYRABOTMN-QGZVFWFLSA-N 1 0 388.924 4.426 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(Cl)c1 ZINC000455757481 822720708 /nfs/dbraw/zinc/72/07/08/822720708.db2.gz UCQPPHCRCCQUEC-SFHVURJKSA-N 1 0 386.883 4.348 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000455766107 822722464 /nfs/dbraw/zinc/72/24/64/822722464.db2.gz HTCGTZYQQVZALN-UZLBHIALSA-N 1 0 396.535 4.216 20 30 GIEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000455802547 822729037 /nfs/dbraw/zinc/72/90/37/822729037.db2.gz STEYGRRDDDNCPV-UHFFFAOYSA-N 1 0 386.540 4.321 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000185073194 822733038 /nfs/dbraw/zinc/73/30/38/822733038.db2.gz ZTMMCFKETQZONU-OAHLLOKOSA-N 1 0 388.562 4.415 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCCCC1 ZINC000455914536 822748309 /nfs/dbraw/zinc/74/83/09/822748309.db2.gz GOXDFAJAPJJYAD-OAQYLSRUSA-N 1 0 392.503 4.110 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)c1 ZINC000455922410 822750043 /nfs/dbraw/zinc/75/00/43/822750043.db2.gz QPTQGXZIBUWXHL-NRFANRHFSA-N 1 0 376.504 4.129 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000456000989 822764597 /nfs/dbraw/zinc/76/45/97/822764597.db2.gz LSAKZOKXARXQHF-PGRDOPGGSA-N 1 0 376.504 4.384 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C#N ZINC000174324723 822771022 /nfs/dbraw/zinc/77/10/22/822771022.db2.gz COTSUSMACBUDLJ-UHFFFAOYSA-N 1 0 395.466 4.104 20 30 GIEDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372560 822779945 /nfs/dbraw/zinc/77/99/45/822779945.db2.gz ZPFQRXKQADUMPY-QGZVFWFLSA-N 1 0 383.467 4.079 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(CC)CC)cc1 ZINC000185571508 822797777 /nfs/dbraw/zinc/79/77/77/822797777.db2.gz SLKNGARCICYZES-UHFFFAOYSA-O 1 0 380.537 4.298 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)Nc1ccccc1 ZINC000185574300 822798176 /nfs/dbraw/zinc/79/81/76/822798176.db2.gz OXPKDMKDEMWUGE-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO N#Cc1ccc(C(=O)C(C(=S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)cc1 ZINC000185581399 822798859 /nfs/dbraw/zinc/79/88/59/822798859.db2.gz OWQLZNPNEMHYIV-UHFFFAOYSA-O 1 0 398.511 4.385 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(Cl)c1 ZINC000052485619 822801140 /nfs/dbraw/zinc/80/11/40/822801140.db2.gz GOTDBKZREWTGIW-UHFFFAOYSA-N 1 0 376.957 4.438 20 30 GIEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000174551827 822804059 /nfs/dbraw/zinc/80/40/59/822804059.db2.gz UNKWJMJGYLBKCQ-DEOSSOPVSA-N 1 0 399.494 4.322 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174558775 822804944 /nfs/dbraw/zinc/80/49/44/822804944.db2.gz OKYXTRHCSQUERY-MRXNPFEDSA-N 1 0 396.453 4.218 20 30 GIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000174611244 822812250 /nfs/dbraw/zinc/81/22/50/822812250.db2.gz KXLLCDVKLLPPSQ-UHFFFAOYSA-N 1 0 389.499 4.119 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000185955767 822836907 /nfs/dbraw/zinc/83/69/07/822836907.db2.gz OKHOVRQUAYEYMO-SNVBAGLBSA-N 1 0 388.440 4.165 20 30 GIEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000053993272 822855994 /nfs/dbraw/zinc/85/59/94/822855994.db2.gz SXLWYQHYUBXVTD-UHFFFAOYSA-N 1 0 399.494 4.096 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COc3ccccc3)c2C)CC1 ZINC000174998056 822865381 /nfs/dbraw/zinc/86/53/81/822865381.db2.gz LNAJCTOMARGMKE-UHFFFAOYSA-N 1 0 379.504 4.346 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000054327337 822876715 /nfs/dbraw/zinc/87/67/15/822876715.db2.gz CKVBRPYLPQPFGT-FQEVSTJZSA-N 1 0 385.552 4.076 20 30 GIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccccc2)n1 ZINC000186435528 822894967 /nfs/dbraw/zinc/89/49/67/822894967.db2.gz PIPWQOUUSWEZRF-DEOSSOPVSA-N 1 0 384.483 4.095 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1OCCCC#N ZINC000186449004 822897188 /nfs/dbraw/zinc/89/71/88/822897188.db2.gz XMTSOUZVKPDVNR-QHCPKHFHSA-N 1 0 378.472 4.009 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1OCCCC#N ZINC000186448984 822897334 /nfs/dbraw/zinc/89/73/34/822897334.db2.gz XMTSOUZVKPDVNR-HSZRJFAPSA-N 1 0 378.472 4.009 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000569340091 822909471 /nfs/dbraw/zinc/90/94/71/822909471.db2.gz WWORGZYMVZDKGT-INIZCTEOSA-N 1 0 382.817 4.066 20 30 GIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000569364734 822911639 /nfs/dbraw/zinc/91/16/39/822911639.db2.gz UFBBDYIUTQVMIC-CYBMUJFWSA-N 1 0 385.393 4.345 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)Nc1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000055011883 822930974 /nfs/dbraw/zinc/93/09/74/822930974.db2.gz XQPFHMFQDJSWKT-UHFFFAOYSA-O 1 0 390.532 4.399 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC(C)(C)C)cc1 ZINC000055014367 822931403 /nfs/dbraw/zinc/93/14/03/822931403.db2.gz NOUZQPAHGUVTIL-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO Cc1cc(C)c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1C ZINC000055015389 822931687 /nfs/dbraw/zinc/93/16/87/822931687.db2.gz MZMISRKBXOSNMB-UHFFFAOYSA-O 1 0 398.596 4.292 20 30 GIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000458092482 822957599 /nfs/dbraw/zinc/95/75/99/822957599.db2.gz AHXSARZLOWVSSG-QFIPXVFZSA-N 1 0 378.520 4.373 20 30 GIEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569742508 822962164 /nfs/dbraw/zinc/96/21/64/822962164.db2.gz GZHRKHPSSKIVRJ-OAHLLOKOSA-N 1 0 392.334 4.111 20 30 GIEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000458169058 822964895 /nfs/dbraw/zinc/96/48/95/822964895.db2.gz FDQNGEREUBHOHH-LJQANCHMSA-N 1 0 393.556 4.312 20 30 GIEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCC3CCC(C#N)CC3)c2)CC1 ZINC000569777290 822967384 /nfs/dbraw/zinc/96/73/84/822967384.db2.gz WHVRTWSRVOLPGU-UHFFFAOYSA-N 1 0 382.552 4.412 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000569951310 822989317 /nfs/dbraw/zinc/98/93/17/822989317.db2.gz POVOZVULUFYAFK-OPAMFIHVSA-N 1 0 383.467 4.323 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175620801 823008143 /nfs/dbraw/zinc/00/81/43/823008143.db2.gz LSHCKGCNNWSIJU-PKOBYXMFSA-N 1 0 384.524 4.075 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1C ZINC000175710975 823025185 /nfs/dbraw/zinc/02/51/85/823025185.db2.gz FUZYVNKJIQRGSG-VQIMIIECSA-N 1 0 378.476 4.297 20 30 GIEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000570437927 823038201 /nfs/dbraw/zinc/03/82/01/823038201.db2.gz IRJGWTHJYFNLAA-UKRRQHHQSA-N 1 0 392.334 4.111 20 30 GIEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570437389 823038319 /nfs/dbraw/zinc/03/83/19/823038319.db2.gz VNTJWCJMYUKWPB-CVDCTZTESA-N 1 0 375.516 4.196 20 30 GIEDRO Cc1nc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)ccc1C#N ZINC000411101124 823546231 /nfs/dbraw/zinc/54/62/31/823546231.db2.gz KIVGXCNWRGXFFT-UHFFFAOYSA-N 1 0 382.895 4.048 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460942107 823547308 /nfs/dbraw/zinc/54/73/08/823547308.db2.gz WJVUMFLVZDBUSW-FQEVSTJZSA-N 1 0 379.552 4.284 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1OCC ZINC000190354796 823565695 /nfs/dbraw/zinc/56/56/95/823565695.db2.gz DZMWZHWZIUVRLD-DJIMGWMZSA-N 1 0 396.325 4.070 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3COc4ccccc4O3)c2)c1 ZINC000060958771 823569480 /nfs/dbraw/zinc/56/94/80/823569480.db2.gz LKXQQNNLPXXUBE-JOCHJYFZSA-N 1 0 386.451 4.067 20 30 GIEDRO COc1ccc(OCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000060961537 823569742 /nfs/dbraw/zinc/56/97/42/823569742.db2.gz JGTISYZZZODYHK-UHFFFAOYSA-N 1 0 388.467 4.314 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](Cc3cccnc3)C3CC3)sc2C1 ZINC000411418834 823571999 /nfs/dbraw/zinc/57/19/99/823571999.db2.gz NZLJJLAWJKQRBH-HNNXBMFYSA-N 1 0 394.544 4.133 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1c(F)cccc1F ZINC000411446475 823575184 /nfs/dbraw/zinc/57/51/84/823575184.db2.gz OKIZIMGFGWUNFA-LLVKDONJSA-N 1 0 375.444 4.066 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(O)c1 ZINC000411450817 823575923 /nfs/dbraw/zinc/57/59/23/823575923.db2.gz GRNBDRDQHIBTRJ-KGLIPLIRSA-N 1 0 383.517 4.130 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000411519618 823583987 /nfs/dbraw/zinc/58/39/87/823583987.db2.gz SQNGIEYPWNTEGE-DOMZBBRYSA-N 1 0 388.562 4.271 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000190625142 823592950 /nfs/dbraw/zinc/59/29/50/823592950.db2.gz RBTUGAFOXWDNCR-AUUYWEPGSA-N 1 0 393.874 4.410 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000190632368 823593776 /nfs/dbraw/zinc/59/37/76/823593776.db2.gz MTXHQNDCAMKXSQ-BFUOFWGJSA-N 1 0 388.298 4.317 20 30 GIEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000124411718 823594493 /nfs/dbraw/zinc/59/44/93/823594493.db2.gz WHKVARWYMIAPQD-IBGZPJMESA-N 1 0 388.305 4.065 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000061746661 823611415 /nfs/dbraw/zinc/61/14/15/823611415.db2.gz LOSOLEALFLUDHD-FQEVSTJZSA-N 1 0 382.895 4.479 20 30 GIEDRO COc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000124622542 823612013 /nfs/dbraw/zinc/61/20/13/823612013.db2.gz UWTRDKAXUYEACO-XMMPIXPASA-N 1 0 394.515 4.323 20 30 GIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014611 823622845 /nfs/dbraw/zinc/62/28/45/823622845.db2.gz XTFBWZYVAXZXSL-QFIPXVFZSA-N 1 0 378.516 4.108 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1C#N ZINC000190932922 823626312 /nfs/dbraw/zinc/62/63/12/823626312.db2.gz VWPZUPCOEUEXMJ-UHFFFAOYSA-N 1 0 381.483 4.098 20 30 GIEDRO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000412200380 823635192 /nfs/dbraw/zinc/63/51/92/823635192.db2.gz AYAJKHKPHUBJFW-QOFIPBISSA-N 1 0 387.527 4.079 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000125343708 823669507 /nfs/dbraw/zinc/66/95/07/823669507.db2.gz BAVKARNSNYBRLR-UHFFFAOYSA-N 1 0 394.588 4.240 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000191366293 823677132 /nfs/dbraw/zinc/67/71/32/823677132.db2.gz HXGXHZREWDVOTR-UHFFFAOYSA-N 1 0 386.927 4.029 20 30 GIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000063566054 823679849 /nfs/dbraw/zinc/67/98/49/823679849.db2.gz LLZQMMWSBOFSLL-HNNXBMFYSA-N 1 0 382.287 4.088 20 30 GIEDRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739955 823690029 /nfs/dbraw/zinc/69/00/29/823690029.db2.gz ZFFHOKVUGPORLY-YLJYHZDGSA-N 1 0 381.545 4.313 20 30 GIEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000461740732 823690070 /nfs/dbraw/zinc/69/00/70/823690070.db2.gz MPTWAMQYNUPPTA-MBSDFSHPSA-N 1 0 391.515 4.014 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1CCC(F)(F)CC1 ZINC000412984372 823697423 /nfs/dbraw/zinc/69/74/23/823697423.db2.gz CBEWDSYTGXDNLH-UHFFFAOYSA-N 1 0 384.540 4.410 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000574341049 823704881 /nfs/dbraw/zinc/70/48/81/823704881.db2.gz IUVQIWNNUQYOLB-HZPDHXFCSA-N 1 0 378.501 4.099 20 30 GIEDRO N#CC(CC[N@H+]1CCCN(CC(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000191603998 823710235 /nfs/dbraw/zinc/71/02/35/823710235.db2.gz LVOMQGBPGGTQQD-UHFFFAOYSA-N 1 0 383.486 4.159 20 30 GIEDRO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000191631394 823718950 /nfs/dbraw/zinc/71/89/50/823718950.db2.gz XREYSGIUPLKABN-UHFFFAOYSA-N 1 0 381.314 4.144 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000191692460 823736327 /nfs/dbraw/zinc/73/63/27/823736327.db2.gz OHIZTNJYKBNXFA-UHFFFAOYSA-N 1 0 395.381 4.130 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)N[C@H](C)Cc2ccccc2)c1 ZINC000191700454 823740650 /nfs/dbraw/zinc/74/06/50/823740650.db2.gz DOGVPLXMIFSUNH-LJQANCHMSA-O 1 0 389.544 4.442 20 30 GIEDRO N#Cc1ccc([C@H](O)C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)cc1 ZINC000126026754 823769340 /nfs/dbraw/zinc/76/93/40/823769340.db2.gz BAUSONAOYNFXRB-XMMPIXPASA-N 1 0 386.495 4.066 20 30 GIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(-n2cccn2)cc1 ZINC000191821536 823782660 /nfs/dbraw/zinc/78/26/60/823782660.db2.gz YAKAUUDWXPKMTC-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000164403849 823801347 /nfs/dbraw/zinc/80/13/47/823801347.db2.gz JZQJXWKLKBZQAZ-GOSISDBHSA-N 1 0 383.492 4.413 20 30 GIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000064483082 823828455 /nfs/dbraw/zinc/82/84/55/823828455.db2.gz WELLNDYYTNUWDN-KRWDZBQOSA-N 1 0 383.536 4.169 20 30 GIEDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462122511 823836031 /nfs/dbraw/zinc/83/60/31/823836031.db2.gz KQXVGOWOLNQVSC-YDHSSHFGSA-N 1 0 375.516 4.173 20 30 GIEDRO C#CCCOc1ccc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cc1 ZINC000192035965 823839502 /nfs/dbraw/zinc/83/95/02/823839502.db2.gz YBPQHLBCKMNNOB-UHFFFAOYSA-N 1 0 398.528 4.102 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2sccc2c1 ZINC000462159270 823848818 /nfs/dbraw/zinc/84/88/18/823848818.db2.gz VUSDAYGJJUMOJX-UHFFFAOYSA-N 1 0 392.528 4.046 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1OCCCC#N ZINC000064613774 823852226 /nfs/dbraw/zinc/85/22/26/823852226.db2.gz XNWVWXFMRIYCHK-UHFFFAOYSA-N 1 0 376.403 4.269 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000192097557 823859018 /nfs/dbraw/zinc/85/90/18/823859018.db2.gz YKYGVKUMFYUHPI-UHFFFAOYSA-N 1 0 379.479 4.214 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC000192098136 823859472 /nfs/dbraw/zinc/85/94/72/823859472.db2.gz RRAUEMVAKCAFLV-SFHVURJKSA-N 1 0 380.467 4.040 20 30 GIEDRO COc1cc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)ccc1C#N ZINC000574965087 823874916 /nfs/dbraw/zinc/87/49/16/823874916.db2.gz GXMJJZHTNUZTBB-KRWDZBQOSA-N 1 0 375.241 4.246 20 30 GIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000167300299 823890013 /nfs/dbraw/zinc/89/00/13/823890013.db2.gz BBRIUQIVSUZMRN-HXUWFJFHSA-N 1 0 386.499 4.177 20 30 GIEDRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462239670 823890826 /nfs/dbraw/zinc/89/08/26/823890826.db2.gz ZQQCFDPUPJXPHC-WDJPJFJCSA-N 1 0 387.527 4.175 20 30 GIEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000414133212 823916681 /nfs/dbraw/zinc/91/66/81/823916681.db2.gz GKMRCTWVEDNLQF-MAUKXSAKSA-N 1 0 388.309 4.024 20 30 GIEDRO Cc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414161004 823920949 /nfs/dbraw/zinc/92/09/49/823920949.db2.gz DVHHMEOIQUKKEV-NRFANRHFSA-N 1 0 384.545 4.326 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)ccc1OC ZINC000192445429 823995308 /nfs/dbraw/zinc/99/53/08/823995308.db2.gz QIYRFKJXYRIGIG-MOPGFXCFSA-N 1 0 380.488 4.032 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000127124245 824021919 /nfs/dbraw/zinc/02/19/19/824021919.db2.gz GOLYFVYICCXCRH-UHFFFAOYSA-N 1 0 393.531 4.022 20 30 GIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127140165 824024581 /nfs/dbraw/zinc/02/45/81/824024581.db2.gz SDUYVNXMDGSSMZ-KRWDZBQOSA-N 1 0 378.476 4.034 20 30 GIEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414900397 824047598 /nfs/dbraw/zinc/04/75/98/824047598.db2.gz HGSZDPHVSDUTOW-IEBWSBKVSA-N 1 0 382.895 4.211 20 30 GIEDRO CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414904145 824048129 /nfs/dbraw/zinc/04/81/29/824048129.db2.gz LZVJRELEYCAQFP-SFHVURJKSA-N 1 0 382.895 4.211 20 30 GIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1)C(C)C ZINC000171057422 824050000 /nfs/dbraw/zinc/05/00/00/824050000.db2.gz YXPPNQWUORHADF-UHFFFAOYSA-N 1 0 380.492 4.247 20 30 GIEDRO C=CCOc1c(Br)cc(CNc2ccc(C[NH2+]C)cc2)cc1OC ZINC000414971190 824055903 /nfs/dbraw/zinc/05/59/03/824055903.db2.gz HVEMCIPFJDTVBP-UHFFFAOYSA-N 1 0 391.309 4.354 20 30 GIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627249 719078147 /nfs/dbraw/zinc/07/81/47/719078147.db2.gz QAVHIMBXAOZRCJ-MAUKXSAKSA-N 1 0 387.314 4.361 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@@H]21 ZINC001165020777 721823596 /nfs/dbraw/zinc/82/35/96/721823596.db2.gz DTJGDKCUJZAGMV-JKFKMHIGSA-N 1 0 397.526 4.238 20 30 GIEDRO N#CC1(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)CCC1 ZINC001164996330 722199870 /nfs/dbraw/zinc/19/98/70/722199870.db2.gz UBXFHDVHAYJKCT-DEOSSOPVSA-N 1 0 390.506 4.411 20 30 GIEDRO N#Cc1cc2c(nc1N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCCC2 ZINC001164996350 722207924 /nfs/dbraw/zinc/20/79/24/722207924.db2.gz UFPLTZJTYRFYJE-XMMPIXPASA-N 1 0 390.506 4.216 20 30 GIEDRO N#Cc1c2c(cnc1N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCCC2 ZINC001164996969 722213527 /nfs/dbraw/zinc/21/35/27/722213527.db2.gz PNVOHBSEBPGCEH-DEOSSOPVSA-N 1 0 390.506 4.216 20 30 GIEDRO C[C@H](NC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1 ZINC000570487973 823045101 /nfs/dbraw/zinc/04/51/01/823045101.db2.gz FKVKAGYSJXIUMC-FDDCHVKYSA-N 1 0 375.516 4.035 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570585683 823057881 /nfs/dbraw/zinc/05/78/81/823057881.db2.gz KBVXHKYKSCMYEX-UHFFFAOYSA-N 1 0 399.558 4.141 20 30 GIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187445194 823065013 /nfs/dbraw/zinc/06/50/13/823065013.db2.gz LGTXPNPMHPJQRL-XOBRGWDASA-N 1 0 375.415 4.312 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175961484 823083042 /nfs/dbraw/zinc/08/30/42/823083042.db2.gz JDMMKQDNHIKUEI-UHFFFAOYSA-N 1 0 386.521 4.003 20 30 GIEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000120923275 823087297 /nfs/dbraw/zinc/08/72/97/823087297.db2.gz PBVBMCTZXLFRGC-QRWLVFNGSA-N 1 0 397.906 4.416 20 30 GIEDRO N#CCCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000458803291 823088451 /nfs/dbraw/zinc/08/84/51/823088451.db2.gz QXMXUIRZGGBEAH-HSZRJFAPSA-N 1 0 390.531 4.339 20 30 GIEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458835304 823094951 /nfs/dbraw/zinc/09/49/51/823094951.db2.gz JXFZWEXDQNGTKW-HXUWFJFHSA-N 1 0 384.549 4.256 20 30 GIEDRO C=CCC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000187739192 823122988 /nfs/dbraw/zinc/12/29/88/823122988.db2.gz BAEUXSCCJUIZCV-RPWUZVMVSA-N 1 0 392.543 4.010 20 30 GIEDRO C=CCC1(CNC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)CCCC1 ZINC000459094589 823127452 /nfs/dbraw/zinc/12/74/52/823127452.db2.gz HJGYJRQWDMQRLV-GOSISDBHSA-N 1 0 390.597 4.051 20 30 GIEDRO C=CCC1(CNC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)CCCC1 ZINC000459105046 823128752 /nfs/dbraw/zinc/12/87/52/823128752.db2.gz OSQHXHPYFDIZOD-OAQYLSRUSA-N 1 0 384.568 4.214 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000121325687 823163843 /nfs/dbraw/zinc/16/38/43/823163843.db2.gz USOVTIFLLJLVDH-FQEVSTJZSA-N 1 0 389.499 4.217 20 30 GIEDRO CCOc1cccc(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000176414072 823203092 /nfs/dbraw/zinc/20/30/92/823203092.db2.gz WATACCWSYNEWGH-XIEYBQDHSA-N 1 0 396.531 4.281 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599369 823205891 /nfs/dbraw/zinc/20/58/91/823205891.db2.gz XNVSVNIRVHLFFQ-SZVBFZGTSA-N 1 0 378.442 4.121 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176491948 823219929 /nfs/dbraw/zinc/21/99/29/823219929.db2.gz LLQDBPYUUSYOMD-UHFFFAOYSA-N 1 0 385.552 4.190 20 30 GIEDRO COc1cc(CC2C[NH+](Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000459600477 823227945 /nfs/dbraw/zinc/22/79/45/823227945.db2.gz ABVQJIXLCFRXBU-UHFFFAOYSA-N 1 0 380.488 4.061 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 ZINC000571805807 823236950 /nfs/dbraw/zinc/23/69/50/823236950.db2.gz GDULSFTXRVBGQD-UHFFFAOYSA-N 1 0 378.407 4.466 20 30 GIEDRO COc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000121779293 823248965 /nfs/dbraw/zinc/24/89/65/823248965.db2.gz VRQJLWKNBRAULC-NMWDDECMSA-N 1 0 375.472 4.205 20 30 GIEDRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000572221872 823303502 /nfs/dbraw/zinc/30/35/02/823303502.db2.gz YVVJFTCEGYTWBI-YPMHNXCESA-N 1 0 388.562 4.189 20 30 GIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007855230 817939917 /nfs/dbraw/zinc/93/99/17/817939917.db2.gz GBDYLBXEXPGUQA-SFHVURJKSA-N 1 0 382.533 4.003 20 30 GIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C2CCCCC2)c1C#N ZINC000008142387 818006773 /nfs/dbraw/zinc/00/67/73/818006773.db2.gz MSTRPBCPHGOHDH-UHFFFAOYSA-N 1 0 378.520 4.228 20 30 GIEDRO Cc1cc(C)cc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017517669 818518093 /nfs/dbraw/zinc/51/80/93/818518093.db2.gz ZZIPVDMHEFHSOS-UHFFFAOYSA-N 1 0 378.545 4.080 20 30 GIEDRO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000017517663 818518122 /nfs/dbraw/zinc/51/81/22/818518122.db2.gz VWSYPDAGHFIUNG-UHFFFAOYSA-N 1 0 378.545 4.080 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)ccc1OC ZINC000057960404 823350725 /nfs/dbraw/zinc/35/07/25/823350725.db2.gz RVTHQCFWHZQGGS-UHFFFAOYSA-N 1 0 377.488 4.185 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000057967832 823351273 /nfs/dbraw/zinc/35/12/73/823351273.db2.gz WVNIBQHEMQPZQA-KRWDZBQOSA-N 1 0 396.487 4.458 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1OC ZINC000057967787 823351331 /nfs/dbraw/zinc/35/13/31/823351331.db2.gz PUAAILPHGFDHRI-KRWDZBQOSA-N 1 0 396.487 4.458 20 30 GIEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc(OC)c1OC ZINC000022684388 818842967 /nfs/dbraw/zinc/84/29/67/818842967.db2.gz SZADJHAEMXMAGI-NRFANRHFSA-N 1 0 396.531 4.027 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686287 818843648 /nfs/dbraw/zinc/84/36/48/818843648.db2.gz BTXRPFVGTFBGBV-UHFFFAOYSA-O 1 0 375.517 4.113 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1 ZINC000022686010 818843791 /nfs/dbraw/zinc/84/37/91/818843791.db2.gz GZDHKDGLBKPHGW-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccccc2)c1 ZINC000022728458 818851352 /nfs/dbraw/zinc/85/13/52/818851352.db2.gz OVVCSOBZWGOJEJ-UHFFFAOYSA-O 1 0 383.518 4.404 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460375106 823368469 /nfs/dbraw/zinc/36/84/69/823368469.db2.gz XJKWCZBTUJMOLP-GOSISDBHSA-N 1 0 383.515 4.115 20 30 GIEDRO COCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022793646 818861774 /nfs/dbraw/zinc/86/17/74/818861774.db2.gz HRBQSMLSXYRBGD-UHFFFAOYSA-O 1 0 399.580 4.063 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022805106 818863186 /nfs/dbraw/zinc/86/31/86/818863186.db2.gz XBIPQGZDBHXSJB-UHFFFAOYSA-O 1 0 381.565 4.408 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCc2ccccc2)cc1 ZINC000023604121 818963343 /nfs/dbraw/zinc/96/33/43/818963343.db2.gz VUKOQZPVKAYTAT-UHFFFAOYSA-O 1 0 392.548 4.210 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000023603342 818963367 /nfs/dbraw/zinc/96/33/67/818963367.db2.gz ABWFVLGVGPHTNO-UHFFFAOYSA-O 1 0 382.484 4.417 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678926 818973235 /nfs/dbraw/zinc/97/32/35/818973235.db2.gz GSPJSTAQYUKWTF-BWKNWUBXSA-N 1 0 398.462 4.423 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000177247866 823408958 /nfs/dbraw/zinc/40/89/58/823408958.db2.gz DMLJMDRHTXRZJH-QGZVFWFLSA-N 1 0 398.576 4.471 20 30 GIEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000189476209 823425407 /nfs/dbraw/zinc/42/54/07/823425407.db2.gz HXTBBBHJKANXRH-UHFFFAOYSA-N 1 0 378.476 4.345 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460555818 823431109 /nfs/dbraw/zinc/43/11/09/823431109.db2.gz ROEQUEGVWOJOFC-FPOVZHCZSA-N 1 0 381.568 4.062 20 30 GIEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460580074 823442921 /nfs/dbraw/zinc/44/29/21/823442921.db2.gz VINPJHRJLOCCLB-IBGZPJMESA-N 1 0 394.567 4.032 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000025867013 820032510 /nfs/dbraw/zinc/03/25/10/820032510.db2.gz NDAKMXNWNSFVEK-BBRMVZONSA-N 1 0 379.287 4.150 20 30 GIEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000026644934 820127990 /nfs/dbraw/zinc/12/79/90/820127990.db2.gz LJULGWRISJLQOE-UHFFFAOYSA-N 1 0 389.499 4.099 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(C)c2)c1 ZINC000027329070 820224656 /nfs/dbraw/zinc/22/46/56/820224656.db2.gz USVNKLRJIGDLAX-UHFFFAOYSA-O 1 0 383.537 4.152 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(C)c1 ZINC000027478957 820250120 /nfs/dbraw/zinc/25/01/20/820250120.db2.gz MQKPAYYGJCBUQJ-UHFFFAOYSA-O 1 0 399.561 4.310 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccs1 ZINC000027680152 820274861 /nfs/dbraw/zinc/27/48/61/820274861.db2.gz PDLUOSRQYXLKTE-FQEVSTJZSA-N 1 0 375.497 4.319 20 30 GIEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@H]1[NH+]1CCCC1 ZINC000573219209 823467507 /nfs/dbraw/zinc/46/75/07/823467507.db2.gz IXTJWGDLQWQBOA-MSOLQXFVSA-N 1 0 386.952 4.084 20 30 GIEDRO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028173035 820315209 /nfs/dbraw/zinc/31/52/09/820315209.db2.gz LRPQTSQLEOOVON-FQEVSTJZSA-N 1 0 386.417 4.010 20 30 GIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000123186008 823475520 /nfs/dbraw/zinc/47/55/20/823475520.db2.gz DRKVFEXPTIDWJI-UHFFFAOYSA-N 1 0 378.516 4.088 20 30 GIEDRO O=C(C[n+]1ccc2c(c1)CCCC2)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000029459723 820458491 /nfs/dbraw/zinc/45/84/91/820458491.db2.gz MFKUTWGFYZXULF-HSZRJFAPSA-N 1 0 385.487 4.020 20 30 GIEDRO N#CC1CCC(C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000573358968 823484017 /nfs/dbraw/zinc/48/40/17/823484017.db2.gz PKHXMOGGAKAJCL-XPJNUEMQSA-N 1 0 378.516 4.073 20 30 GIEDRO C[N@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030268716 820592488 /nfs/dbraw/zinc/59/24/88/820592488.db2.gz MZWVLIBQWDYGAF-UHFFFAOYSA-N 1 0 389.858 4.080 20 30 GIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786564 823512257 /nfs/dbraw/zinc/51/22/57/823512257.db2.gz KIMFOYXSBJZIJN-WOJBJXKFSA-N 1 0 397.567 4.051 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000177767675 823523033 /nfs/dbraw/zinc/52/30/33/823523033.db2.gz LZGPUUOPRCUDJL-UHFFFAOYSA-N 1 0 392.528 4.017 20 30 GIEDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000042917412 821344352 /nfs/dbraw/zinc/34/43/52/821344352.db2.gz CPQNFIYRLJSYDM-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO Cc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000043612003 821430982 /nfs/dbraw/zinc/43/09/82/821430982.db2.gz DFPWQIUELJDQMT-UHFFFAOYSA-N 1 0 386.499 4.230 20 30 GIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180798037 821464187 /nfs/dbraw/zinc/46/41/87/821464187.db2.gz HNRNQFKXIOWRPC-QGZVFWFLSA-N 1 0 392.425 4.422 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810915 821472396 /nfs/dbraw/zinc/47/23/96/821472396.db2.gz SMIYDCOSMBKNJD-APWZRJJASA-N 1 0 396.487 4.388 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000180811337 821472833 /nfs/dbraw/zinc/47/28/33/821472833.db2.gz KATQPFRTVPZUHN-DOTOQJQBSA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815486 821475648 /nfs/dbraw/zinc/47/56/48/821475648.db2.gz QGJKBUUFBXSCHM-NVXWUHKLSA-N 1 0 384.476 4.244 20 30 GIEDRO CC[C@H](C#N)Oc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccc1OC ZINC000180815920 821476529 /nfs/dbraw/zinc/47/65/29/821476529.db2.gz KWYZYHHDUIOINP-OAQYLSRUSA-N 1 0 385.552 4.263 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000180816762 821477205 /nfs/dbraw/zinc/47/72/05/821477205.db2.gz XBPCYILNLXDWJA-YLJYHZDGSA-N 1 0 378.472 4.239 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)ccc1OC ZINC000180817210 821477361 /nfs/dbraw/zinc/47/73/61/821477361.db2.gz KCEJNAVZQMAIAG-FXAWDEMLSA-N 1 0 396.487 4.388 20 30 GIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(-c2ccccc2)n1 ZINC000181097562 821630817 /nfs/dbraw/zinc/63/08/17/821630817.db2.gz MHWJFWWJNAZQTP-OAQYLSRUSA-N 1 0 394.519 4.019 20 30 GIEDRO COc1cc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000181214959 821701491 /nfs/dbraw/zinc/70/14/91/821701491.db2.gz FFUXRFJLMLKHCB-AWEZNQCLSA-N 1 0 393.405 4.434 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000181268446 821725621 /nfs/dbraw/zinc/72/56/21/821725621.db2.gz QQXQOTTZRFBARR-UHFFFAOYSA-N 1 0 387.572 4.481 20 30 GIEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000181397115 821805988 /nfs/dbraw/zinc/80/59/88/821805988.db2.gz WTENTQKNPIHTCB-XMSQKQJNSA-N 1 0 379.504 4.085 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000181570884 821884475 /nfs/dbraw/zinc/88/44/75/821884475.db2.gz KRQQIBPNZMQQPO-AVRDEDQJSA-N 1 0 399.560 4.413 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181590665 821893553 /nfs/dbraw/zinc/89/35/53/821893553.db2.gz MXNRAIQSWVZZIZ-IBGZPJMESA-N 1 0 397.450 4.410 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000181606693 821900525 /nfs/dbraw/zinc/90/05/25/821900525.db2.gz WMAIRFILNGVZPK-NRFANRHFSA-N 1 0 381.907 4.289 20 30 GIEDRO CC(C)COC[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181644121 821919791 /nfs/dbraw/zinc/91/97/91/821919791.db2.gz MYAMROSLKVQHRE-JOCHJYFZSA-N 1 0 381.520 4.119 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181653488 821924123 /nfs/dbraw/zinc/92/41/23/821924123.db2.gz ZRXGGDDNYLDFMV-MSOLQXFVSA-N 1 0 376.504 4.226 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc2ccccc21 ZINC000181663945 821931110 /nfs/dbraw/zinc/93/11/10/821931110.db2.gz XQLTXJJLRUMEEM-QGZVFWFLSA-N 1 0 395.466 4.186 20 30 GIEDRO C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181783945 821990801 /nfs/dbraw/zinc/99/08/01/821990801.db2.gz MJHUAPVDEMQVMS-UXHICEINSA-N 1 0 393.531 4.140 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000181827504 822009263 /nfs/dbraw/zinc/00/92/63/822009263.db2.gz FBCZGBJLQLUFQH-GOSISDBHSA-N 1 0 394.475 4.118 20 30 GIEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000181887200 822026873 /nfs/dbraw/zinc/02/68/73/822026873.db2.gz AWMMRPFMQDMEQT-LJQANCHMSA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1-n1cccn1 ZINC000181897438 822030090 /nfs/dbraw/zinc/03/00/90/822030090.db2.gz ZSVYVMUSVSUCQV-IBGZPJMESA-N 1 0 385.515 4.059 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1-n1cccn1 ZINC000181897456 822030284 /nfs/dbraw/zinc/03/02/84/822030284.db2.gz ZSVYVMUSVSUCQV-LJQANCHMSA-N 1 0 385.515 4.059 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(Br)c1 ZINC000181932821 822039138 /nfs/dbraw/zinc/03/91/38/822039138.db2.gz UBRHUTNNCVLKIU-CYBMUJFWSA-N 1 0 375.266 4.211 20 30 GIEDRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(OCC#N)cc1 ZINC000181966351 822047518 /nfs/dbraw/zinc/04/75/18/822047518.db2.gz GQVVOCCODKRNBV-AWEZNQCLSA-N 1 0 382.851 4.186 20 30 GIEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000182011680 822061747 /nfs/dbraw/zinc/06/17/47/822061747.db2.gz FHKZNRWHKAJFSM-MSOLQXFVSA-N 1 0 379.504 4.265 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182055530 822076329 /nfs/dbraw/zinc/07/63/29/822076329.db2.gz IVUMXSQBJKPGNO-SFHVURJKSA-N 1 0 378.520 4.120 20 30 GIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182098564 822093116 /nfs/dbraw/zinc/09/31/16/822093116.db2.gz FJRZBKBBBICKKT-INIZCTEOSA-N 1 0 388.558 4.183 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c1C#N ZINC000182334772 822206157 /nfs/dbraw/zinc/20/61/57/822206157.db2.gz XHYXUQZSYHWYPM-KRWDZBQOSA-N 1 0 390.487 4.216 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182645257 822336986 /nfs/dbraw/zinc/33/69/86/822336986.db2.gz DXYUMMZDBGVJNU-IRXDYDNUSA-N 1 0 391.471 4.427 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176654 822343278 /nfs/dbraw/zinc/34/32/78/822343278.db2.gz GZOQJUXRIJUCQY-SJORKVTESA-N 1 0 385.533 4.001 20 30 GIEDRO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453436138 822362624 /nfs/dbraw/zinc/36/26/24/822362624.db2.gz HMJFWTCHHSQEIA-GOSISDBHSA-N 1 0 389.588 4.043 20 30 GIEDRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000045151506 822366143 /nfs/dbraw/zinc/36/61/43/822366143.db2.gz QSOYENIJFFHLMT-QFIPXVFZSA-N 1 0 396.510 4.168 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178558185 822391706 /nfs/dbraw/zinc/39/17/06/822391706.db2.gz BWHHSULNWOPORW-UTKZUKDTSA-N 1 0 376.504 4.384 20 30 GIEDRO COCCCOc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182939466 822396613 /nfs/dbraw/zinc/39/66/13/822396613.db2.gz KSEDRIJHQQXNER-UHFFFAOYSA-N 1 0 379.504 4.050 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680130 822402305 /nfs/dbraw/zinc/40/23/05/822402305.db2.gz FGABRTARFBABTP-JKSUJKDBSA-N 1 0 387.505 4.219 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000045777874 822412595 /nfs/dbraw/zinc/41/25/95/822412595.db2.gz ISRTZZHJJSLFHJ-UHFFFAOYSA-N 1 0 390.531 4.132 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110147 822425801 /nfs/dbraw/zinc/42/58/01/822425801.db2.gz QLYAUQPJLIEXCQ-HOYKHHGWSA-N 1 0 396.494 4.466 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110128 822425827 /nfs/dbraw/zinc/42/58/27/822425827.db2.gz QLYAUQPJLIEXCQ-MHECFPHRSA-N 1 0 396.494 4.466 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000454480018 822482078 /nfs/dbraw/zinc/48/20/78/822482078.db2.gz GPEKUOMBCZFDOL-DNVCBOLYSA-N 1 0 382.895 4.069 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454684794 822516896 /nfs/dbraw/zinc/51/68/96/822516896.db2.gz CMAHFMFOWSHDGP-HDICACEKSA-N 1 0 392.503 4.002 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179685600 822526980 /nfs/dbraw/zinc/52/69/80/822526980.db2.gz OORMEAVWYDTASU-OAHLLOKOSA-N 1 0 383.492 4.437 20 30 GIEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686967 822527367 /nfs/dbraw/zinc/52/73/67/822527367.db2.gz WZMSWHJIIKHIAB-ZUOKHONESA-N 1 0 395.528 4.185 20 30 GIEDRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000183925298 822547995 /nfs/dbraw/zinc/54/79/95/822547995.db2.gz ZBJLQMDMPLFFAV-UHFFFAOYSA-N 1 0 388.562 4.117 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)NCc2c(OC(C)C)ccc3ccccc32)CC1 ZINC000183950864 822552539 /nfs/dbraw/zinc/55/25/39/822552539.db2.gz MVTDFAFRCVWOPB-UHFFFAOYSA-N 1 0 381.520 4.077 20 30 GIEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000179878775 822570250 /nfs/dbraw/zinc/57/02/50/822570250.db2.gz BWMMHXJKRRWZBT-FQEVSTJZSA-N 1 0 390.531 4.099 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000179880985 822570761 /nfs/dbraw/zinc/57/07/61/822570761.db2.gz PQBDOBSWROVEPF-UHFFFAOYSA-N 1 0 395.499 4.233 20 30 GIEDRO Cn1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179889384 822572032 /nfs/dbraw/zinc/57/20/32/822572032.db2.gz XWLUGOWGLRNMKA-FQEVSTJZSA-N 1 0 392.528 4.201 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969654 822587725 /nfs/dbraw/zinc/58/77/25/822587725.db2.gz POEPJSDBJKRRAY-AUUYWEPGSA-N 1 0 385.414 4.006 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180001465 822593527 /nfs/dbraw/zinc/59/35/27/822593527.db2.gz NNHZPWHNZSIYFI-PZJWPPBQSA-N 1 0 391.563 4.045 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1 ZINC000180009735 822595372 /nfs/dbraw/zinc/59/53/72/822595372.db2.gz FNYPPHQIQNMGKU-XLIONFOSSA-N 1 0 380.492 4.182 20 30 GIEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011137 822595974 /nfs/dbraw/zinc/59/59/74/822595974.db2.gz FVCWQASDADFNNY-UHFFFAOYSA-N 1 0 390.462 4.141 20 30 GIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccsc1 ZINC000180050384 822604618 /nfs/dbraw/zinc/60/46/18/822604618.db2.gz YPHWRQITRYHTQH-NRFANRHFSA-N 1 0 393.560 4.193 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000180055954 822605387 /nfs/dbraw/zinc/60/53/87/822605387.db2.gz QTJBYPQGEOEOMF-OALUTQOASA-N 1 0 384.524 4.097 20 30 GIEDRO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180222578 822642482 /nfs/dbraw/zinc/64/24/82/822642482.db2.gz XNGSZLJOKVIJGZ-IBGZPJMESA-N 1 0 399.542 4.274 20 30 GIEDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000180282194 822654703 /nfs/dbraw/zinc/65/47/03/822654703.db2.gz JCOWUPYXUZPEIU-YADARESESA-N 1 0 399.542 4.101 20 30 GIEDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000180283903 822655062 /nfs/dbraw/zinc/65/50/62/822655062.db2.gz DOIPIXZBGKAGRA-HXUWFJFHSA-N 1 0 378.451 4.045 20 30 GIEDRO CSCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184778450 822689632 /nfs/dbraw/zinc/68/96/32/822689632.db2.gz KQYFSBJOTFHINE-UHFFFAOYSA-N 1 0 382.533 4.017 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180541181 822698927 /nfs/dbraw/zinc/69/89/27/822698927.db2.gz LDLAYTUFJBHSBU-IBGZPJMESA-N 1 0 379.548 4.358 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455698758 822705594 /nfs/dbraw/zinc/70/55/94/822705594.db2.gz GKMHBYJQBZGZLJ-UHFFFAOYSA-N 1 0 388.874 4.141 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000455698788 822705600 /nfs/dbraw/zinc/70/56/00/822705600.db2.gz GMBDTDRRGJLPFS-IBGZPJMESA-N 1 0 396.922 4.092 20 30 GIEDRO C[C@@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000455733659 822716595 /nfs/dbraw/zinc/71/65/95/822716595.db2.gz NVOLVZVCTSISBO-DNVCBOLYSA-N 1 0 382.895 4.191 20 30 GIEDRO CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000455917959 822749223 /nfs/dbraw/zinc/74/92/23/822749223.db2.gz KOVUMJPNKFBLAQ-PGRDOPGGSA-N 1 0 376.504 4.442 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455921433 822749899 /nfs/dbraw/zinc/74/98/99/822749899.db2.gz OTJLIZXCUVGFRC-PGRDOPGGSA-N 1 0 376.504 4.269 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@@H+]1C ZINC000174494087 822796590 /nfs/dbraw/zinc/79/65/90/822796590.db2.gz CYWXVTWFKMPSDF-YJBOKZPZSA-N 1 0 396.466 4.436 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(-c2ccco2)on1 ZINC000052485657 822801089 /nfs/dbraw/zinc/80/10/89/822801089.db2.gz SAWDMXQCLYURNL-UHFFFAOYSA-N 1 0 399.520 4.033 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1Cl ZINC000185641692 822805921 /nfs/dbraw/zinc/80/59/21/822805921.db2.gz UHKKJAFKXQUQDO-VQIMIIECSA-N 1 0 397.906 4.049 20 30 GIEDRO C[NH+]1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000174572933 822806770 /nfs/dbraw/zinc/80/67/70/822806770.db2.gz LKYUGFFKBGOQSD-UHFFFAOYSA-N 1 0 383.879 4.071 20 30 GIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C12CCCC2 ZINC000174653984 822818374 /nfs/dbraw/zinc/81/83/74/822818374.db2.gz RFKIZMFMVYYHIQ-LEWJYISDSA-N 1 0 378.520 4.291 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185818124 822823909 /nfs/dbraw/zinc/82/39/09/822823909.db2.gz KERGXUCGLCLUCU-VXGBXAGGSA-N 1 0 381.423 4.359 20 30 GIEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000174814994 822841145 /nfs/dbraw/zinc/84/11/45/822841145.db2.gz NCHJTODDRMNVFK-OKZBNKHCSA-N 1 0 386.565 4.417 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000054425370 822883918 /nfs/dbraw/zinc/88/39/18/822883918.db2.gz KFEZFAZPJYPETH-SFHVURJKSA-N 1 0 376.485 4.334 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000175204909 822903721 /nfs/dbraw/zinc/90/37/21/822903721.db2.gz PMFFRKZLRYWRJI-UHFFFAOYSA-N 1 0 392.459 4.054 20 30 GIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000569337020 822908910 /nfs/dbraw/zinc/90/89/10/822908910.db2.gz YJCPVXRPZTWDMR-FXAWDEMLSA-N 1 0 379.479 4.177 20 30 GIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000569449961 822924851 /nfs/dbraw/zinc/92/48/51/822924851.db2.gz UWWQKJCNUYMFOP-UHFFFAOYSA-N 1 0 397.544 4.133 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1 ZINC000055011239 822930855 /nfs/dbraw/zinc/93/08/55/822930855.db2.gz PZUNBLJUAQJUFG-UHFFFAOYSA-O 1 0 385.512 4.260 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000055013917 822931422 /nfs/dbraw/zinc/93/14/22/822931422.db2.gz JKYJPKMTKPEDHB-UHFFFAOYSA-O 1 0 389.504 4.150 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000569534300 822936101 /nfs/dbraw/zinc/93/61/01/822936101.db2.gz WARTYFGGMQWPEB-LBPRGKRZSA-N 1 0 393.256 4.198 20 30 GIEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000569598319 822943273 /nfs/dbraw/zinc/94/32/73/822943273.db2.gz OQRCNRZDEUJXJJ-AWEZNQCLSA-N 1 0 398.304 4.317 20 30 GIEDRO Cc1ccnc([C@@H]2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 ZINC000569739734 822961500 /nfs/dbraw/zinc/96/15/00/822961500.db2.gz POEQUBBYDKGYIU-QZTJIDSGSA-N 1 0 394.544 4.070 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747409 822962824 /nfs/dbraw/zinc/96/28/24/822962824.db2.gz WONQQGFLVTURJI-JWQCQUIFSA-N 1 0 395.506 4.063 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(C)cc1 ZINC000186974309 822990542 /nfs/dbraw/zinc/99/05/42/822990542.db2.gz BFTGIDAYYHPUKF-UHFFFAOYSA-O 1 0 385.553 4.317 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C)cc1 ZINC000186979001 822991238 /nfs/dbraw/zinc/99/12/38/822991238.db2.gz JPEQMNBBYJYGMJ-UHFFFAOYSA-O 1 0 377.480 4.278 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175557248 822996913 /nfs/dbraw/zinc/99/69/13/822996913.db2.gz YSGYQMZNFNUUFO-UHFFFAOYSA-N 1 0 383.517 4.275 20 30 GIEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000187139408 823016467 /nfs/dbraw/zinc/01/64/67/823016467.db2.gz PEIXQOMTHRXVGZ-UHFFFAOYSA-N 1 0 393.409 4.181 20 30 GIEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000570247600 823018875 /nfs/dbraw/zinc/01/88/75/823018875.db2.gz HCJYLFCMIJMAKZ-OAHLLOKOSA-N 1 0 389.421 4.469 20 30 GIEDRO N#CCSc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000175697432 823022658 /nfs/dbraw/zinc/02/26/58/823022658.db2.gz QPVMPBCVCKYEPS-HXUWFJFHSA-N 1 0 379.529 4.087 20 30 GIEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@H]1C(F)(F)F ZINC000190176394 823546352 /nfs/dbraw/zinc/54/63/52/823546352.db2.gz UHXGRMAKKGUXPU-OAHLLOKOSA-N 1 0 399.482 4.347 20 30 GIEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460940433 823547078 /nfs/dbraw/zinc/54/70/78/823547078.db2.gz VZFNNESMHVKGMT-SFHVURJKSA-N 1 0 385.581 4.346 20 30 GIEDRO C=C(C)Cn1c(COCC)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460944285 823547607 /nfs/dbraw/zinc/54/76/07/823547607.db2.gz QJJOURQJNOXRSB-CTNGQTDRSA-N 1 0 397.567 4.053 20 30 GIEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460952377 823549482 /nfs/dbraw/zinc/54/94/82/823549482.db2.gz OPRCLDXULWNKDW-SFHVURJKSA-N 1 0 385.531 4.219 20 30 GIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060659165 823550822 /nfs/dbraw/zinc/55/08/22/823550822.db2.gz NHRNOEYCDBWLNH-IBGZPJMESA-N 1 0 396.560 4.393 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411162137 823553202 /nfs/dbraw/zinc/55/32/02/823553202.db2.gz CQWKAPBEYIMKQI-INIZCTEOSA-N 1 0 380.448 4.014 20 30 GIEDRO C=CCn1c(SCC[NH+](C)C)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000060902020 823565551 /nfs/dbraw/zinc/56/55/51/823565551.db2.gz OHTCJIXPLLKSML-UHFFFAOYSA-N 1 0 385.558 4.273 20 30 GIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000061001757 823572068 /nfs/dbraw/zinc/57/20/68/823572068.db2.gz ILBLQEGQVPDCOG-ISKFKSNPSA-N 1 0 378.516 4.225 20 30 GIEDRO CCC[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000061001677 823572191 /nfs/dbraw/zinc/57/21/91/823572191.db2.gz CJBVTAJUXZAASH-UHFFFAOYSA-N 1 0 387.886 4.221 20 30 GIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](Cc2ccccc2)C2CC2)sc2c1CCC2 ZINC000411484900 823580395 /nfs/dbraw/zinc/58/03/95/823580395.db2.gz ZLUWLSFEHSLCNC-LJQANCHMSA-N 1 0 379.529 4.048 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000124246990 823580775 /nfs/dbraw/zinc/58/07/75/823580775.db2.gz ITOZPEHSEOCJHG-GOSISDBHSA-N 1 0 379.287 4.499 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528925 823585110 /nfs/dbraw/zinc/58/51/10/823585110.db2.gz HSAKRSDQHXFZAN-BBRMVZONSA-N 1 0 395.484 4.221 20 30 GIEDRO CC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000190547598 823585183 /nfs/dbraw/zinc/58/51/83/823585183.db2.gz XSZFSJIJCFWNJX-FQEVSTJZSA-N 1 0 381.907 4.323 20 30 GIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609876 823591340 /nfs/dbraw/zinc/59/13/40/823591340.db2.gz NFXNVBFFJBZBBY-UXHICEINSA-N 1 0 399.441 4.001 20 30 GIEDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627060 823593271 /nfs/dbraw/zinc/59/32/71/823593271.db2.gz QAFZHTNIZCXISU-JPYJTQIMSA-N 1 0 391.515 4.045 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630485 823593564 /nfs/dbraw/zinc/59/35/64/823593564.db2.gz RCRDISLZIPJBHI-MHECFPHRSA-N 1 0 396.494 4.072 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000190632405 823593782 /nfs/dbraw/zinc/59/37/82/823593782.db2.gz MTXHQNDCAMKXSQ-YJYMSZOUSA-N 1 0 388.298 4.317 20 30 GIEDRO Cn1c(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)nc2ccccc21 ZINC000124411442 823594523 /nfs/dbraw/zinc/59/45/23/823594523.db2.gz VMWANPKRPFCZCB-UHFFFAOYSA-N 1 0 398.514 4.073 20 30 GIEDRO C=C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000124650535 823614277 /nfs/dbraw/zinc/61/42/77/823614277.db2.gz JPMKRSNGWMDCMW-NRFANRHFSA-N 1 0 378.516 4.189 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000411985044 823618108 /nfs/dbraw/zinc/61/81/08/823618108.db2.gz NNHFYOXBFQSTDW-SFHVURJKSA-N 1 0 388.508 4.070 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000411987701 823618338 /nfs/dbraw/zinc/61/83/38/823618338.db2.gz RCSNYYFZAXAMBQ-FQEVSTJZSA-N 1 0 384.545 4.125 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000061921727 823618616 /nfs/dbraw/zinc/61/86/16/823618616.db2.gz QQRGOUAVOVLQOD-OALUTQOASA-N 1 0 390.531 4.036 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)C[C@@H]2C)c1C#N ZINC000412026937 823623525 /nfs/dbraw/zinc/62/35/25/823623525.db2.gz UDACSAZFNKKXIL-HNNXBMFYSA-N 1 0 382.508 4.067 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412134378 823629090 /nfs/dbraw/zinc/62/90/90/823629090.db2.gz SZTCCOHXWUYLEU-UFONIEFXSA-N 1 0 387.527 4.173 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000063400424 823668020 /nfs/dbraw/zinc/66/80/20/823668020.db2.gz GXEIRBZQYBPPBU-QHCPKHFHSA-N 1 0 390.531 4.121 20 30 GIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000063549462 823678916 /nfs/dbraw/zinc/67/89/16/823678916.db2.gz QJUOAPOYBRDFDP-IBGZPJMESA-N 1 0 397.906 4.256 20 30 GIEDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000063631635 823685158 /nfs/dbraw/zinc/68/51/58/823685158.db2.gz KUDMCCNEWNHLGV-GOSISDBHSA-N 1 0 385.527 4.348 20 30 GIEDRO COCC[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063753966 823693477 /nfs/dbraw/zinc/69/34/77/823693477.db2.gz OUABXBRTATVMEF-UHFFFAOYSA-N 1 0 387.483 4.189 20 30 GIEDRO Cc1nc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1C#N ZINC000461787262 823695399 /nfs/dbraw/zinc/69/53/99/823695399.db2.gz UGJRZOUJHHBHIV-HUUCEWRRSA-N 1 0 384.911 4.136 20 30 GIEDRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)CC1 ZINC000125686769 823696820 /nfs/dbraw/zinc/69/68/20/823696820.db2.gz OJNUMQSVDBKCIN-IBGZPJMESA-N 1 0 378.520 4.120 20 30 GIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)no1 ZINC000191632927 823719929 /nfs/dbraw/zinc/71/99/29/823719929.db2.gz USFMGEVIRDOGNZ-UHFFFAOYSA-N 1 0 380.473 4.058 20 30 GIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125825234 823721056 /nfs/dbraw/zinc/72/10/56/823721056.db2.gz HJHSRFOEVDUIRG-IBGZPJMESA-N 1 0 387.321 4.416 20 30 GIEDRO Cc1cc(NCc2ccc(O[C@@H](C)C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679727 823731081 /nfs/dbraw/zinc/73/10/81/823731081.db2.gz KPSDEVUEMBKZPI-FQEVSTJZSA-N 1 0 392.547 4.428 20 30 GIEDRO C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCCC1 ZINC000125901748 823740214 /nfs/dbraw/zinc/74/02/14/823740214.db2.gz NQJOXJWFMMDJGP-KRWDZBQOSA-N 1 0 379.529 4.171 20 30 GIEDRO Cc1nc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c(Cl)cc1C#N ZINC000461956383 823771012 /nfs/dbraw/zinc/77/10/12/823771012.db2.gz KRKQEJQPSKZZRZ-UHFFFAOYSA-N 1 0 388.874 4.010 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000064381182 823805706 /nfs/dbraw/zinc/80/57/06/823805706.db2.gz ILQHMCXZAVJFTF-KRWDZBQOSA-N 1 0 375.582 4.207 20 30 GIEDRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(C#N)c1 ZINC000462037277 823806509 /nfs/dbraw/zinc/80/65/09/823806509.db2.gz RLPMTUJPFQAODC-IBGZPJMESA-N 1 0 375.516 4.210 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000126235014 823817602 /nfs/dbraw/zinc/81/76/02/823817602.db2.gz CMCUHMZZWQXEAG-JKSUJKDBSA-N 1 0 385.895 4.335 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000191952477 823822004 /nfs/dbraw/zinc/82/20/04/823822004.db2.gz SCWHCEGMYCFKAX-UHFFFAOYSA-N 1 0 399.514 4.126 20 30 GIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000574772369 823822367 /nfs/dbraw/zinc/82/23/67/823822367.db2.gz PXWIZBVULQUABX-UHFFFAOYSA-N 1 0 393.494 4.478 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000413826515 823846130 /nfs/dbraw/zinc/84/61/30/823846130.db2.gz ICJPLGYDXWYKLU-HSZRJFAPSA-N 1 0 391.559 4.480 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1OCCCC#N ZINC000064614123 823852941 /nfs/dbraw/zinc/85/29/41/823852941.db2.gz WRHYNFKEOFNWOC-UHFFFAOYSA-N 1 0 394.519 4.053 20 30 GIEDRO C[C@H](C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000462272744 823909133 /nfs/dbraw/zinc/90/91/33/823909133.db2.gz VWKCWQDEVCNOKW-SFHVURJKSA-N 1 0 395.934 4.440 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC000170687568 823939623 /nfs/dbraw/zinc/93/96/23/823939623.db2.gz OCNABEBNGRBDFW-SFHVURJKSA-N 1 0 380.467 4.040 20 30 GIEDRO CC[NH+](CC)CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000126808170 823956152 /nfs/dbraw/zinc/95/61/52/823956152.db2.gz GCYRQKOZTFVXDH-UHFFFAOYSA-N 1 0 381.545 4.312 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192366344 823960515 /nfs/dbraw/zinc/96/05/15/823960515.db2.gz VGYLZOYBVROGID-MAUKXSAKSA-N 1 0 395.528 4.250 20 30 GIEDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1 ZINC000462407634 823962631 /nfs/dbraw/zinc/96/26/31/823962631.db2.gz LMXOVLNOFRTNRT-AVRDEDQJSA-N 1 0 375.516 4.079 20 30 GIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000126975149 823993005 /nfs/dbraw/zinc/99/30/05/823993005.db2.gz LGSTUSWLZBGZAC-OXJNMPFZSA-N 1 0 396.922 4.411 20 30 GIEDRO CC(C)(CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000127007361 823999660 /nfs/dbraw/zinc/99/96/60/823999660.db2.gz TYIDNJZTWORJRF-UHFFFAOYSA-N 1 0 389.543 4.351 20 30 GIEDRO C=CCC[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000127024230 824002233 /nfs/dbraw/zinc/00/22/33/824002233.db2.gz SMSDEDLQAMLWMK-AWEZNQCLSA-N 1 0 392.849 4.335 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000170909123 824004063 /nfs/dbraw/zinc/00/40/63/824004063.db2.gz RQLATWHAAPTGAX-AVRDEDQJSA-N 1 0 397.519 4.379 20 30 GIEDRO N#Cc1ccc(C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1 ZINC000170914146 824004099 /nfs/dbraw/zinc/00/40/99/824004099.db2.gz JJNANSLEYBLNEA-UHFFFAOYSA-N 1 0 388.427 4.329 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1OCC ZINC000414583199 824015937 /nfs/dbraw/zinc/01/59/37/824015937.db2.gz RZYXZJIFCLLYCA-GOEBONIOSA-N 1 0 398.341 4.053 20 30 GIEDRO CC(C)(CCC#N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414593660 824016715 /nfs/dbraw/zinc/01/67/15/824016715.db2.gz WOICSWGPZGZADP-UHFFFAOYSA-N 1 0 378.358 4.333 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000171022344 824040145 /nfs/dbraw/zinc/04/01/45/824040145.db2.gz KKYBYIXXDOCISR-UHFFFAOYSA-N 1 0 398.510 4.188 20 30 GIEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000414898714 824047560 /nfs/dbraw/zinc/04/75/60/824047560.db2.gz DUHIFLPDTZEOCT-RXVVDRJESA-N 1 0 382.895 4.244 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000414898789 824047603 /nfs/dbraw/zinc/04/76/03/824047603.db2.gz FAQMTXNPQZDQOE-SYNHAJSKSA-N 1 0 396.922 4.444 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000414962472 824054347 /nfs/dbraw/zinc/05/43/47/824054347.db2.gz JSTRDYRQXATPPU-SCLBCKFNSA-N 1 0 384.867 4.205 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414967563 824055245 /nfs/dbraw/zinc/05/52/45/824055245.db2.gz QBWWRDBYHNFYTR-CZUORRHYSA-N 1 0 384.867 4.266 20 30 GIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164796701 721502293 /nfs/dbraw/zinc/50/22/93/721502293.db2.gz VRTAAVQOJCVZFH-UHFFFAOYSA-N 1 0 395.938 4.077 20 30 GIEDRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025868 721801526 /nfs/dbraw/zinc/80/15/26/721801526.db2.gz PSTWJNJKZFEXMQ-FFZOFVMBSA-N 1 0 395.938 4.047 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@@H]21 ZINC001165020781 721823453 /nfs/dbraw/zinc/82/34/53/721823453.db2.gz DTJGDKCUJZAGMV-RVSNTGDXSA-N 1 0 397.526 4.238 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@H]21 ZINC001165020767 721823623 /nfs/dbraw/zinc/82/36/23/721823623.db2.gz DTJGDKCUJZAGMV-IHLLOCCUSA-N 1 0 397.526 4.238 20 30 GIEDRO N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165017212 721835947 /nfs/dbraw/zinc/83/59/47/721835947.db2.gz JMIIYOOFEGJSHA-UHFFFAOYSA-N 1 0 380.870 4.319 20 30 GIEDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)C1 ZINC001165037195 721899611 /nfs/dbraw/zinc/89/96/11/721899611.db2.gz LDOBKXBKGQBUDQ-KRWDZBQOSA-N 1 0 390.865 4.349 20 30 GIEDRO CSc1ccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)cc1 ZINC000458580583 823059259 /nfs/dbraw/zinc/05/92/59/823059259.db2.gz OCUVOKJQVFUTFE-NHCUHLMSSA-N 1 0 396.560 4.355 20 30 GIEDRO C=CC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(Cl)s1 ZINC000055899200 823063574 /nfs/dbraw/zinc/06/35/74/823063574.db2.gz KSDWABYNJVFTOT-UHFFFAOYSA-N 1 0 380.966 4.426 20 30 GIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187445175 823064891 /nfs/dbraw/zinc/06/48/91/823064891.db2.gz LGTXPNPMHPJQRL-JLTOFOAXSA-N 1 0 375.415 4.312 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)ccc1OC ZINC000175994811 823091047 /nfs/dbraw/zinc/09/10/47/823091047.db2.gz BDJHFNHPPBLBQW-IBGZPJMESA-N 1 0 376.460 4.056 20 30 GIEDRO C=C(C)CCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000458995568 823114050 /nfs/dbraw/zinc/11/40/50/823114050.db2.gz HJNTZDGELCBMOQ-UHFFFAOYSA-N 1 0 394.357 4.021 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176089311 823117120 /nfs/dbraw/zinc/11/71/20/823117120.db2.gz FYCBRCSNKJGVQL-GOSISDBHSA-N 1 0 380.467 4.073 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000571122071 823135830 /nfs/dbraw/zinc/13/58/30/823135830.db2.gz XEEXFINOWVHTAM-BETUJISGSA-N 1 0 399.482 4.490 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000121357297 823169803 /nfs/dbraw/zinc/16/98/03/823169803.db2.gz PGQYPUVMDJYWTE-GOSISDBHSA-N 1 0 392.434 4.136 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000056610705 823180646 /nfs/dbraw/zinc/18/06/46/823180646.db2.gz MFNFRRZYIQLABW-UHFFFAOYSA-N 1 0 392.503 4.052 20 30 GIEDRO CC1(C)CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000571435885 823182283 /nfs/dbraw/zinc/18/22/83/823182283.db2.gz YWBWNJARDDVZFE-NNWRFLSQSA-N 1 0 394.563 4.011 20 30 GIEDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000571463258 823186286 /nfs/dbraw/zinc/18/62/86/823186286.db2.gz QDWLPIJPOLOZEM-OAHLLOKOSA-N 1 0 383.879 4.076 20 30 GIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000459414703 823187685 /nfs/dbraw/zinc/18/76/85/823187685.db2.gz QUDGTALJJAQBNH-UHFFFAOYSA-N 1 0 392.293 4.408 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1Cl)C(C)C ZINC000056692601 823194482 /nfs/dbraw/zinc/19/44/82/823194482.db2.gz VYFKYZVXXYCCIW-LJQANCHMSA-N 1 0 392.931 4.119 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1C#N ZINC000459452186 823194907 /nfs/dbraw/zinc/19/49/07/823194907.db2.gz BKGNKHKJRQCGTE-UHFFFAOYSA-N 1 0 386.521 4.003 20 30 GIEDRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000571577719 823203331 /nfs/dbraw/zinc/20/33/31/823203331.db2.gz JGYCWABASYGKTJ-QGZVFWFLSA-N 1 0 397.906 4.113 20 30 GIEDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000571605157 823207186 /nfs/dbraw/zinc/20/71/86/823207186.db2.gz XJAXCZJKLLPNBK-YWZLYKJASA-N 1 0 376.422 4.296 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000056792198 823214895 /nfs/dbraw/zinc/21/48/95/823214895.db2.gz HOEMFJGGXYCTCB-NRFANRHFSA-N 1 0 397.519 4.213 20 30 GIEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571697358 823220722 /nfs/dbraw/zinc/22/07/22/823220722.db2.gz XVJXBGOEYBHISC-PBHICJAKSA-N 1 0 381.442 4.094 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459566665 823221459 /nfs/dbraw/zinc/22/14/59/823221459.db2.gz HTGUAWXGLFRFAV-JTHBVZDNSA-N 1 0 376.500 4.110 20 30 GIEDRO CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459598629 823227546 /nfs/dbraw/zinc/22/75/46/823227546.db2.gz YYARRHBMFGKTDH-NVXWUHKLSA-N 1 0 383.521 4.013 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O ZINC000459655754 823241504 /nfs/dbraw/zinc/24/15/04/823241504.db2.gz VCCCGUAKPGJLFP-SFHVURJKSA-N 1 0 399.453 4.310 20 30 GIEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459690864 823251184 /nfs/dbraw/zinc/25/11/84/823251184.db2.gz KEXPJONAYHIERD-UHFFFAOYSA-N 1 0 383.448 4.212 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OCC ZINC000007266831 817807753 /nfs/dbraw/zinc/80/77/53/817807753.db2.gz NFFFCQHLUYWZFL-HOTGVXAUSA-N 1 0 381.476 4.033 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000122078750 823302719 /nfs/dbraw/zinc/30/27/19/823302719.db2.gz RAMZUEJCPIKLPT-UHFFFAOYSA-O 1 0 391.919 4.194 20 30 GIEDRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000572221870 823303787 /nfs/dbraw/zinc/30/37/87/823303787.db2.gz YVVJFTCEGYTWBI-DGCLKSJQSA-N 1 0 388.562 4.189 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)c1 ZINC000011259890 818066776 /nfs/dbraw/zinc/06/67/76/818066776.db2.gz BBTIHFHLTFJGGP-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)c1 ZINC000176919445 823324403 /nfs/dbraw/zinc/32/44/03/823324403.db2.gz GJVXACLDMNLQNB-OAQYLSRUSA-N 1 0 394.519 4.165 20 30 GIEDRO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c(O)c(OC)c1 ZINC000016874118 818485766 /nfs/dbraw/zinc/48/57/66/818485766.db2.gz NPHBDLYQHCJVAB-HXUWFJFHSA-N 1 0 383.488 4.484 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000017517673 818517713 /nfs/dbraw/zinc/51/77/13/818517713.db2.gz UIMABXZECWMNTH-UHFFFAOYSA-N 1 0 384.936 4.116 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c1C#N ZINC000460350062 823360907 /nfs/dbraw/zinc/36/09/07/823360907.db2.gz JEPUAUVFZDIDSX-CTNGQTDRSA-N 1 0 396.535 4.361 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H](C)c2ccccc2Br)CC1 ZINC000122495277 823363213 /nfs/dbraw/zinc/36/32/13/823363213.db2.gz KHDOTHXGCWTWOL-INIZCTEOSA-N 1 0 391.353 4.094 20 30 GIEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000572583749 823365505 /nfs/dbraw/zinc/36/55/05/823365505.db2.gz ISQQGVCNLUAJCA-FQEVSTJZSA-N 1 0 399.336 4.100 20 30 GIEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460374433 823368143 /nfs/dbraw/zinc/36/81/43/823368143.db2.gz LEZZPIBGJFVXOU-LPHOPBHVSA-N 1 0 385.943 4.238 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)cc1 ZINC000022730770 818852027 /nfs/dbraw/zinc/85/20/27/818852027.db2.gz BDANEINXPQBSIL-UHFFFAOYSA-O 1 0 391.516 4.101 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(CCC)cc1 ZINC000022797662 818861916 /nfs/dbraw/zinc/86/19/16/818861916.db2.gz BEZRTSZXSBLQAB-UHFFFAOYSA-O 1 0 389.491 4.309 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(CCC)cc1 ZINC000022796959 818861939 /nfs/dbraw/zinc/86/19/39/818861939.db2.gz CNOQKYGIOUXNMK-UHFFFAOYSA-O 1 0 389.491 4.309 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022805014 818862984 /nfs/dbraw/zinc/86/29/84/818862984.db2.gz MLAFSJPVJBKRHW-UHFFFAOYSA-O 1 0 391.507 4.488 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000022850324 818867200 /nfs/dbraw/zinc/86/72/00/818867200.db2.gz LHOBJNKKVIFDKM-UHFFFAOYSA-N 1 0 384.321 4.029 20 30 GIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000023257254 818917513 /nfs/dbraw/zinc/91/75/13/818917513.db2.gz CBWMJYXOERUMJT-QKDPSFTKSA-N 1 0 395.572 4.115 20 30 GIEDRO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460394038 823374505 /nfs/dbraw/zinc/37/45/05/823374505.db2.gz LMGIRRUOUGPJJV-UHFFFAOYSA-N 1 0 387.959 4.343 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(C)cc1 ZINC000024566591 819071955 /nfs/dbraw/zinc/07/19/55/819071955.db2.gz UIZUVAUPYRKIAW-UHFFFAOYSA-O 1 0 377.489 4.233 20 30 GIEDRO CC(C)[N@H+](CC(=O)NCCCSc1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397219 823385735 /nfs/dbraw/zinc/38/57/35/823385735.db2.gz YOERSKWKLYOYCE-UHFFFAOYSA-N 1 0 381.545 4.067 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000177159968 823386874 /nfs/dbraw/zinc/38/68/74/823386874.db2.gz VKLLNFPLQVRATQ-VQIMIIECSA-N 1 0 391.540 4.206 20 30 GIEDRO N#CC1(NC(=O)C[NH+]2CCC(c3cccc4ccccc43)CC2)CCCCC1 ZINC000058525286 823403732 /nfs/dbraw/zinc/40/37/32/823403732.db2.gz QEUZEGRFBZAYND-UHFFFAOYSA-N 1 0 375.516 4.362 20 30 GIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(C#N)ccc3Cl)C2)s1 ZINC000572888422 823414396 /nfs/dbraw/zinc/41/43/96/823414396.db2.gz SIOFGNBZYPJATP-INIZCTEOSA-N 1 0 387.936 4.176 20 30 GIEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000572890861 823414912 /nfs/dbraw/zinc/41/49/12/823414912.db2.gz OHLMEABAGFZZPS-SFHVURJKSA-N 1 0 391.943 4.175 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460544721 823426020 /nfs/dbraw/zinc/42/60/20/823426020.db2.gz PGAMKXFGGXBNFT-HKUYNNGSSA-N 1 0 383.515 4.032 20 30 GIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573037218 823437793 /nfs/dbraw/zinc/43/77/93/823437793.db2.gz BINPCPOGKWNQKV-RDJZCZTQSA-N 1 0 382.439 4.234 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000025867008 820032623 /nfs/dbraw/zinc/03/26/23/820032623.db2.gz NDAKMXNWNSFVEK-CJNGLKHVSA-N 1 0 379.287 4.150 20 30 GIEDRO C=CCn1c(SCC[NH+](C)C)nc2scc(-c3cccs3)c2c1=O ZINC000058805220 823455485 /nfs/dbraw/zinc/45/54/85/823455485.db2.gz GVWVTYIBIZAATL-UHFFFAOYSA-N 1 0 377.560 4.026 20 30 GIEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000573149297 823455943 /nfs/dbraw/zinc/45/59/43/823455943.db2.gz KTHYADUHQVWHKX-UHFFFAOYSA-N 1 0 379.479 4.271 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NCc1ccccc1)[n+]1ccc(C)cc1 ZINC000027199991 820209116 /nfs/dbraw/zinc/20/91/16/820209116.db2.gz ZARXIKFFJPACOE-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(C)cc2)c1 ZINC000027329103 820225239 /nfs/dbraw/zinc/22/52/39/820225239.db2.gz MDVGODWYHAJMDD-UHFFFAOYSA-O 1 0 383.537 4.152 20 30 GIEDRO CC(C)[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027449837 820246288 /nfs/dbraw/zinc/24/62/88/820246288.db2.gz ZOCZEUCHIOXPNC-OAQYLSRUSA-N 1 0 388.433 4.160 20 30 GIEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000123160315 823471982 /nfs/dbraw/zinc/47/19/82/823471982.db2.gz MFPITSZEWSZJKQ-UHFFFAOYSA-N 1 0 381.277 4.105 20 30 GIEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000123161333 823472106 /nfs/dbraw/zinc/47/21/06/823472106.db2.gz WISBGIHUAJAJHK-RLLQIKCJSA-N 1 0 387.524 4.036 20 30 GIEDRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000028918265 820372811 /nfs/dbraw/zinc/37/28/11/820372811.db2.gz UXADBAMFBNRSPM-RHSMWYFYSA-N 1 0 393.314 4.492 20 30 GIEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000028918266 820373006 /nfs/dbraw/zinc/37/30/06/820373006.db2.gz UXADBAMFBNRSPM-WMLDXEAASA-N 1 0 393.314 4.492 20 30 GIEDRO Cc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1I ZINC000573292131 823477046 /nfs/dbraw/zinc/47/70/46/823477046.db2.gz PDGYPXSMJTWFTB-SFHVURJKSA-N 1 0 388.252 4.248 20 30 GIEDRO CCC(CC)c1cc[n+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000029461701 820458584 /nfs/dbraw/zinc/45/85/84/820458584.db2.gz AXYQLNNIPNBEEH-NRFANRHFSA-N 1 0 395.523 4.013 20 30 GIEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)c1 ZINC000573348331 823482707 /nfs/dbraw/zinc/48/27/07/823482707.db2.gz AAAYHAIOZUGUOO-UHFFFAOYSA-N 1 0 391.490 4.031 20 30 GIEDRO C=CCC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000190003716 823524339 /nfs/dbraw/zinc/52/43/39/823524339.db2.gz JHDBRKDJIKZADL-XMMPIXPASA-N 1 0 392.543 4.010 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000177821322 823530783 /nfs/dbraw/zinc/53/07/83/823530783.db2.gz VJJWXMMVSIPRFP-INIZCTEOSA-N 1 0 381.501 4.099 20 30 GIEDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042958783 821349346 /nfs/dbraw/zinc/34/93/46/821349346.db2.gz QMGFJPHQSQMHIY-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)ccc1OC ZINC000180814042 821475119 /nfs/dbraw/zinc/47/51/19/821475119.db2.gz ALTWFPYXBZWCFG-QAPCUYQASA-N 1 0 385.483 4.432 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000180964594 821559658 /nfs/dbraw/zinc/55/96/58/821559658.db2.gz KVJLXFTZYUTDBR-WMZHIEFXSA-N 1 0 387.527 4.367 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000180964627 821559672 /nfs/dbraw/zinc/55/96/72/821559672.db2.gz KVJLXFTZYUTDBR-CVDCTZTESA-N 1 0 387.527 4.367 20 30 GIEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1OCCCC#N ZINC000181027379 821600554 /nfs/dbraw/zinc/60/05/54/821600554.db2.gz RLYLCECXRBLGFH-LJQANCHMSA-N 1 0 399.922 4.400 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181294051 821740042 /nfs/dbraw/zinc/74/00/42/821740042.db2.gz KEFUGKCGINVQGA-GOSISDBHSA-N 1 0 376.504 4.084 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1OCC ZINC000181390015 821801525 /nfs/dbraw/zinc/80/15/25/821801525.db2.gz ZJYRLUANVQDOSV-MRXNPFEDSA-N 1 0 381.476 4.035 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OC4CCCC4)nc3)CC2)cc1 ZINC000181524900 821866451 /nfs/dbraw/zinc/86/64/51/821866451.db2.gz PTJZZFHSYNORLQ-UHFFFAOYSA-N 1 0 390.531 4.029 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524852 821866656 /nfs/dbraw/zinc/86/66/56/821866656.db2.gz AUCDCXXBSHUYHN-BBRMVZONSA-N 1 0 390.833 4.022 20 30 GIEDRO CCCOCc1ccccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181529993 821868000 /nfs/dbraw/zinc/86/80/00/821868000.db2.gz DSXWZXCCBGGQDN-UHFFFAOYSA-N 1 0 377.532 4.239 20 30 GIEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc(OCC#N)cc1 ZINC000181547441 821876068 /nfs/dbraw/zinc/87/60/68/821876068.db2.gz HTRFLWHHASHKKF-QGZVFWFLSA-N 1 0 386.455 4.087 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000181570924 821884570 /nfs/dbraw/zinc/88/45/70/821884570.db2.gz KRQQIBPNZMQQPO-PGRDOPGGSA-N 1 0 399.560 4.413 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000181596916 821896716 /nfs/dbraw/zinc/89/67/16/821896716.db2.gz ZVBZCYPUXDEYNA-NRFANRHFSA-N 1 0 381.520 4.488 20 30 GIEDRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000181638139 821916995 /nfs/dbraw/zinc/91/69/95/821916995.db2.gz ZLKJKNQASZFHGW-JPYJTQIMSA-N 1 0 375.516 4.394 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)c3cccnc3)CC2)cc1 ZINC000181680758 821940454 /nfs/dbraw/zinc/94/04/54/821940454.db2.gz PETZBVRXZXFZFT-RUZDIDTESA-N 1 0 382.511 4.297 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181810965 822002334 /nfs/dbraw/zinc/00/23/34/822002334.db2.gz WNDAWKPFNUYFDF-UHFFFAOYSA-N 1 0 381.545 4.287 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1OCCCC#N ZINC000181826622 822008569 /nfs/dbraw/zinc/00/85/69/822008569.db2.gz YNXYNGLIODLNGF-UHFFFAOYSA-N 1 0 390.487 4.068 20 30 GIEDRO CC(C)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872837 822022284 /nfs/dbraw/zinc/02/22/84/822022284.db2.gz MVSNGMBGDRKVRQ-HKUYNNGSSA-N 1 0 381.442 4.191 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000181886140 822026771 /nfs/dbraw/zinc/02/67/71/822026771.db2.gz GKLNPOUOYQUIQP-FQEVSTJZSA-N 1 0 388.559 4.474 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887493 822027128 /nfs/dbraw/zinc/02/71/28/822027128.db2.gz OLEDWVLDUQIILV-CVEARBPZSA-N 1 0 380.492 4.046 20 30 GIEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000181904711 822032908 /nfs/dbraw/zinc/03/29/08/822032908.db2.gz HGQRKNGFELTSNT-LJQANCHMSA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(F)c1F ZINC000181956280 822045135 /nfs/dbraw/zinc/04/51/35/822045135.db2.gz KFNNPXDQDYCVRK-LBPRGKRZSA-N 1 0 389.471 4.456 20 30 GIEDRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(OCC#N)cc1 ZINC000181960192 822046255 /nfs/dbraw/zinc/04/62/55/822046255.db2.gz NOTQJRKHQDPWMA-MRXNPFEDSA-N 1 0 378.501 4.391 20 30 GIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181974931 822049660 /nfs/dbraw/zinc/04/96/60/822049660.db2.gz DIHPAILRUYZHQY-SFHVURJKSA-N 1 0 387.531 4.243 20 30 GIEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000181996511 822057335 /nfs/dbraw/zinc/05/73/35/822057335.db2.gz NRWWKPRIHLKGGC-QGZVFWFLSA-N 1 0 383.923 4.233 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1F ZINC000182012241 822062236 /nfs/dbraw/zinc/06/22/36/822062236.db2.gz AMJITDYZAHLVGZ-QGZVFWFLSA-N 1 0 383.467 4.049 20 30 GIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000182099237 822093085 /nfs/dbraw/zinc/09/30/85/822093085.db2.gz SZPMKNLXUAUHQO-MRXNPFEDSA-N 1 0 388.558 4.183 20 30 GIEDRO O=C1[C@@H]([n+]2ccc(Cc3ccccc3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000182241470 822163424 /nfs/dbraw/zinc/16/34/24/822163424.db2.gz BLOIJPQLCMWBSK-NRFANRHFSA-N 1 0 381.858 4.335 20 30 GIEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182374690 822219879 /nfs/dbraw/zinc/21/98/79/822219879.db2.gz VUAAABDWBONMTK-UHFFFAOYSA-N 1 0 379.504 4.034 20 30 GIEDRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045150043 822366025 /nfs/dbraw/zinc/36/60/25/822366025.db2.gz JQBHXHVWXOYDLJ-JOCHJYFZSA-N 1 0 378.520 4.029 20 30 GIEDRO CC(C)(CNC(=[NH2+])Nc1ccccn1)Sc1ccc(Br)cc1 ZINC000178587032 822394468 /nfs/dbraw/zinc/39/44/68/822394468.db2.gz YAWPZZMZXCMGOT-UHFFFAOYSA-N 1 0 379.327 4.142 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178687783 822402993 /nfs/dbraw/zinc/40/29/93/822402993.db2.gz ZPGCQEUMFXUXCZ-CHWSQXEVSA-N 1 0 386.839 4.106 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000183222392 822443827 /nfs/dbraw/zinc/44/38/27/822443827.db2.gz BXKNMOQJFRZYSJ-UHFFFAOYSA-N 1 0 390.503 4.094 20 30 GIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C1 ZINC000454329550 822458661 /nfs/dbraw/zinc/45/86/61/822458661.db2.gz SMLKQMFUJQXVLO-IWQHBPENSA-N 1 0 382.552 4.046 20 30 GIEDRO N#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1F ZINC000454540458 822493992 /nfs/dbraw/zinc/49/39/92/822493992.db2.gz AHECWJZSDGKUCL-UHFFFAOYSA-N 1 0 380.467 4.047 20 30 GIEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594359 822509144 /nfs/dbraw/zinc/50/91/44/822509144.db2.gz DSCUQSFYWVUVCM-ORFBVSJDSA-N 1 0 397.494 4.020 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000046817613 822520978 /nfs/dbraw/zinc/52/09/78/822520978.db2.gz QVYYQJDUEWXIOO-QWHCGFSZSA-N 1 0 377.366 4.135 20 30 GIEDRO C=CCC[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000454711977 822521975 /nfs/dbraw/zinc/52/19/75/822521975.db2.gz RHYITCSMRJMNRW-NXHRZFHOSA-N 1 0 381.442 4.058 20 30 GIEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000454768157 822530370 /nfs/dbraw/zinc/53/03/70/822530370.db2.gz SCMSMVCHHVLCKW-UHFFFAOYSA-N 1 0 378.476 4.346 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179717718 822534056 /nfs/dbraw/zinc/53/40/56/822534056.db2.gz QANRVSMZVLGQFQ-INIZCTEOSA-N 1 0 379.451 4.014 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000047053044 822540843 /nfs/dbraw/zinc/54/08/43/822540843.db2.gz RKHZFRHTJFOVSD-QGZVFWFLSA-N 1 0 384.549 4.234 20 30 GIEDRO COc1ccc(OC(C)C)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179796407 822554627 /nfs/dbraw/zinc/55/46/27/822554627.db2.gz IWBJPYFEOQULFT-UHFFFAOYSA-N 1 0 379.504 4.431 20 30 GIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000179872657 822569140 /nfs/dbraw/zinc/56/91/40/822569140.db2.gz HLJXWZXBYWPRRO-WZONZLPQSA-N 1 0 390.531 4.097 20 30 GIEDRO Cn1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179949818 822583939 /nfs/dbraw/zinc/58/39/39/822583939.db2.gz GZBGQAAFAKFOSO-UHFFFAOYSA-N 1 0 389.478 4.174 20 30 GIEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(-c2ccccc2)n1 ZINC000184137243 822584303 /nfs/dbraw/zinc/58/43/03/822584303.db2.gz DVCYWGRGPQOWEX-UHFFFAOYSA-N 1 0 392.890 4.342 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCN3CCCCCC3=O)c2)c1 ZINC000047688414 822599817 /nfs/dbraw/zinc/59/98/17/822599817.db2.gz CDFRPXJIFDMTPX-UHFFFAOYSA-N 1 0 391.515 4.020 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCCO4)c2)c1 ZINC000047688404 822599898 /nfs/dbraw/zinc/59/98/98/822599898.db2.gz GFOIRKCYQSEENI-UHFFFAOYSA-N 1 0 386.451 4.198 20 30 GIEDRO Cn1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180041603 822602895 /nfs/dbraw/zinc/60/28/95/822602895.db2.gz RJYJHGUAFJVKIN-LJQANCHMSA-N 1 0 378.476 4.425 20 30 GIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180174789 822632515 /nfs/dbraw/zinc/63/25/15/822632515.db2.gz HVHYRVQOBSUDIH-HSZRJFAPSA-N 1 0 385.515 4.362 20 30 GIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180174809 822632557 /nfs/dbraw/zinc/63/25/57/822632557.db2.gz HVHYRVQOBSUDIH-QHCPKHFHSA-N 1 0 385.515 4.362 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000180221454 822642004 /nfs/dbraw/zinc/64/20/04/822642004.db2.gz GPUHOMXWDOZAQU-QGZVFWFLSA-N 1 0 390.508 4.480 20 30 GIEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000184844292 822698976 /nfs/dbraw/zinc/69/89/76/822698976.db2.gz SOWRWTKTOMUVNH-OAQYLSRUSA-N 1 0 381.545 4.189 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180562017 822702902 /nfs/dbraw/zinc/70/29/02/822702902.db2.gz CEJUIUABOLWMMW-KRWDZBQOSA-N 1 0 379.357 4.309 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000455696286 822704831 /nfs/dbraw/zinc/70/48/31/822704831.db2.gz BZFGPNCUDXYVSB-QAPCUYQASA-N 1 0 382.895 4.191 20 30 GIEDRO C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455696904 822705061 /nfs/dbraw/zinc/70/50/61/822705061.db2.gz DCEUBNHNSFPMEM-LPHOPBHVSA-N 1 0 396.922 4.438 20 30 GIEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455710022 822709463 /nfs/dbraw/zinc/70/94/63/822709463.db2.gz WKFJVYCQQLDHJJ-UHFFFAOYSA-N 1 0 397.910 4.181 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(C#N)ccc1OC ZINC000050107986 822718629 /nfs/dbraw/zinc/71/86/29/822718629.db2.gz KCXLQIFCGZXDDC-UHFFFAOYSA-N 1 0 386.521 4.004 20 30 GIEDRO N#CCc1cccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000455901319 822745016 /nfs/dbraw/zinc/74/50/16/822745016.db2.gz DWVWMARGMLUINQ-UHFFFAOYSA-N 1 0 388.515 4.273 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185201391 822748890 /nfs/dbraw/zinc/74/88/90/822748890.db2.gz OINACRJWWMCZQU-RDJZCZTQSA-N 1 0 389.421 4.365 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185201407 822748910 /nfs/dbraw/zinc/74/89/10/822748910.db2.gz OINACRJWWMCZQU-WBVHZDCISA-N 1 0 389.421 4.365 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000185358622 822770915 /nfs/dbraw/zinc/77/09/15/822770915.db2.gz PLBDTNGWBGTJMY-SFHVURJKSA-N 1 0 390.409 4.196 20 30 GIEDRO CC#CCCCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185371006 822773550 /nfs/dbraw/zinc/77/35/50/822773550.db2.gz QNOKVNKZVBASIH-UHFFFAOYSA-N 1 0 380.454 4.322 20 30 GIEDRO C#CCC(C)(C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185370946 822773595 /nfs/dbraw/zinc/77/35/95/822773595.db2.gz ZMXVNKUNOUWJQP-UHFFFAOYSA-N 1 0 380.454 4.178 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185577436 822798386 /nfs/dbraw/zinc/79/83/86/822798386.db2.gz KBKHUWSITDTYPZ-UHFFFAOYSA-O 1 0 380.537 4.082 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000174528911 822801634 /nfs/dbraw/zinc/80/16/34/822801634.db2.gz IDKVAIWFYHELRF-RDTXWAMCSA-N 1 0 388.924 4.478 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1Cl ZINC000185641629 822805875 /nfs/dbraw/zinc/80/58/75/822805875.db2.gz UHKKJAFKXQUQDO-LPHOPBHVSA-N 1 0 397.906 4.049 20 30 GIEDRO C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720446 822814158 /nfs/dbraw/zinc/81/41/58/822814158.db2.gz GTZBUOFMEKBQOA-ZWKOTPCHSA-N 1 0 387.593 4.146 20 30 GIEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000457089247 822852221 /nfs/dbraw/zinc/85/22/21/822852221.db2.gz SRMCDGWNHVBACG-FQEVSTJZSA-N 1 0 393.556 4.405 20 30 GIEDRO C[N@H+](CCCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000457172951 822858927 /nfs/dbraw/zinc/85/89/27/822858927.db2.gz UUYHZUSGDIIZCY-UHFFFAOYSA-N 1 0 379.529 4.314 20 30 GIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000186286085 822870685 /nfs/dbraw/zinc/87/06/85/822870685.db2.gz ANRTXMPXJXLVQT-LJQANCHMSA-N 1 0 376.435 4.435 20 30 GIEDRO N#Cc1csc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1 ZINC000569175298 822888824 /nfs/dbraw/zinc/88/88/24/822888824.db2.gz GJWYMOMZNYCNGL-UHFFFAOYSA-N 1 0 378.379 4.064 20 30 GIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000569190942 822890956 /nfs/dbraw/zinc/89/09/56/822890956.db2.gz SZVWXLSGKYWCDP-UHFFFAOYSA-N 1 0 398.429 4.041 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccc(O)cc3)CC1)CCC2 ZINC000055103430 822938517 /nfs/dbraw/zinc/93/85/17/822938517.db2.gz RPXFWINTJKEWSK-UHFFFAOYSA-N 1 0 395.528 4.022 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000186709328 822941962 /nfs/dbraw/zinc/94/19/62/822941962.db2.gz VFCDRGVTSNNCKR-IUODEOHRSA-N 1 0 393.350 4.477 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747410 822962679 /nfs/dbraw/zinc/96/26/79/822962679.db2.gz WONQQGFLVTURJI-LOSJGSFVSA-N 1 0 395.506 4.063 20 30 GIEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000458168330 822964598 /nfs/dbraw/zinc/96/45/98/822964598.db2.gz NKZJPMLKTQXNNO-LJQANCHMSA-N 1 0 377.488 4.007 20 30 GIEDRO Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1C[NH+](C)C ZINC000458255593 822974209 /nfs/dbraw/zinc/97/42/09/822974209.db2.gz BOXKJIVAPZECEA-UHFFFAOYSA-N 1 0 387.487 4.086 20 30 GIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000570015588 822997215 /nfs/dbraw/zinc/99/72/15/822997215.db2.gz YCHKLNHGWOIRRR-RBUKOAKNSA-N 1 0 395.375 4.390 20 30 GIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000570065406 823002331 /nfs/dbraw/zinc/00/23/31/823002331.db2.gz YQDPIQHFIALNKJ-PBHICJAKSA-N 1 0 375.456 4.127 20 30 GIEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175684961 823020035 /nfs/dbraw/zinc/02/00/35/823020035.db2.gz XQWXDHOVQFZSBU-QGZVFWFLSA-N 1 0 379.529 4.123 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000570369540 823030257 /nfs/dbraw/zinc/03/02/57/823030257.db2.gz RSWVSAAPPBEFLE-SFHVURJKSA-N 1 0 398.304 4.235 20 30 GIEDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000570430973 823037253 /nfs/dbraw/zinc/03/72/53/823037253.db2.gz RXTWLUNDLHKNMP-UHFFFAOYSA-N 1 0 384.524 4.457 20 30 GIEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000570437928 823038335 /nfs/dbraw/zinc/03/83/35/823038335.db2.gz IRJGWTHJYFNLAA-ZFWWWQNUSA-N 1 0 392.334 4.111 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123937151 823553296 /nfs/dbraw/zinc/55/32/96/823553296.db2.gz WUBFADRYBGSOHQ-AVRDEDQJSA-N 1 0 399.897 4.093 20 30 GIEDRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c1 ZINC000411363147 823566532 /nfs/dbraw/zinc/56/65/32/823566532.db2.gz XHCBWRNIMZIQKT-UHFFFAOYSA-N 1 0 384.483 4.266 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](Cc3ccncc3)C3CC3)sc2C1 ZINC000411422017 823572228 /nfs/dbraw/zinc/57/22/28/823572228.db2.gz SDOPYARXVZSURL-HNNXBMFYSA-N 1 0 394.544 4.133 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000411471456 823578764 /nfs/dbraw/zinc/57/87/64/823578764.db2.gz FGBZZUYRMDUXDO-CYBMUJFWSA-N 1 0 377.366 4.136 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000411475352 823579174 /nfs/dbraw/zinc/57/91/74/823579174.db2.gz NAEIGBAOLNRNCS-KKSFZXQISA-N 1 0 397.906 4.298 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H](c3cccnc3)C3CC3)sc2C1 ZINC000411508530 823582446 /nfs/dbraw/zinc/58/24/46/823582446.db2.gz UYXCRRGJEKAPID-LHSJRXKWSA-N 1 0 394.544 4.209 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623227 823592774 /nfs/dbraw/zinc/59/27/74/823592774.db2.gz IHNAACNWVRRQQH-BEFAXECRSA-N 1 0 375.497 4.225 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000190625120 823592948 /nfs/dbraw/zinc/59/29/48/823592948.db2.gz RBTUGAFOXWDNCR-IFXJQAMLSA-N 1 0 393.874 4.410 20 30 GIEDRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411774568 823604036 /nfs/dbraw/zinc/60/40/36/823604036.db2.gz PDKNEQZWPNEVOR-UHFFFAOYSA-N 1 0 396.531 4.379 20 30 GIEDRO N#CCc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061748168 823611594 /nfs/dbraw/zinc/61/15/94/823611594.db2.gz CLVZABPMAWSJRC-UHFFFAOYSA-N 1 0 376.504 4.450 20 30 GIEDRO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(C#N)cc1 ZINC000061790879 823614658 /nfs/dbraw/zinc/61/46/58/823614658.db2.gz WLGFYXMDROFIPU-QGZVFWFLSA-N 1 0 394.544 4.032 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000411990370 823618567 /nfs/dbraw/zinc/61/85/67/823618567.db2.gz VXGRIKCGBKSRLZ-SFHVURJKSA-N 1 0 388.508 4.070 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000190893829 823620770 /nfs/dbraw/zinc/62/07/70/823620770.db2.gz KJNOOIGCQUYWSG-UHFFFAOYSA-N 1 0 384.293 4.059 20 30 GIEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000125354721 823670193 /nfs/dbraw/zinc/67/01/93/823670193.db2.gz MSXLYFFHFIPJNM-GOSISDBHSA-N 1 0 381.545 4.181 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125424892 823675142 /nfs/dbraw/zinc/67/51/42/823675142.db2.gz XKAXLGRHUFSAIG-SFHVURJKSA-N 1 0 381.545 4.447 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000125425088 823675158 /nfs/dbraw/zinc/67/51/58/823675158.db2.gz XKAXLGRHUFSAIG-GOSISDBHSA-N 1 0 381.545 4.447 20 30 GIEDRO N#Cc1ccc(N2CC[C@@H]([N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000063492247 823675919 /nfs/dbraw/zinc/67/59/19/823675919.db2.gz DSHLPWGNGNOQFN-LOSJGSFVSA-N 1 0 393.490 4.311 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1Cl ZINC000063508005 823676888 /nfs/dbraw/zinc/67/68/88/823676888.db2.gz BHLONBLAMVEUFG-IBGZPJMESA-N 1 0 385.870 4.386 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000191366269 823677120 /nfs/dbraw/zinc/67/71/20/823677120.db2.gz BGXLBISYZQCZJE-UHFFFAOYSA-N 1 0 393.409 4.049 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000125471526 823678785 /nfs/dbraw/zinc/67/87/85/823678785.db2.gz GMOOGFPYXHBNLO-VXKWHMMOSA-N 1 0 382.939 4.225 20 30 GIEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461698901 823683344 /nfs/dbraw/zinc/68/33/44/823683344.db2.gz UGRZAXJKXZGNOM-IBGZPJMESA-N 1 0 394.494 4.370 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000063667797 823687869 /nfs/dbraw/zinc/68/78/69/823687869.db2.gz SMWJWUIPRVBYIG-JOCHJYFZSA-N 1 0 393.506 4.347 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063750362 823693501 /nfs/dbraw/zinc/69/35/01/823693501.db2.gz LWLWKKWFOVCMIZ-LJQANCHMSA-N 1 0 392.421 4.227 20 30 GIEDRO O=C(C1CC[NH+](CC#Cc2ccc(F)cc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000125665519 823694797 /nfs/dbraw/zinc/69/47/97/823694797.db2.gz CLJJRBRTOPGCPU-UHFFFAOYSA-N 1 0 390.502 4.080 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc4ccccc43)CC2)cc1 ZINC000063798059 823697799 /nfs/dbraw/zinc/69/77/99/823697799.db2.gz QQPMGBMDEXGOJR-UHFFFAOYSA-N 1 0 398.510 4.129 20 30 GIEDRO N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cnc12 ZINC000574324325 823702913 /nfs/dbraw/zinc/70/29/13/823702913.db2.gz FPEAHMZEROYQGO-SFHVURJKSA-N 1 0 385.393 4.347 20 30 GIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N ZINC000191618858 823714967 /nfs/dbraw/zinc/71/49/67/823714967.db2.gz AAEIUCGUVIQLJC-HXUWFJFHSA-N 1 0 380.492 4.411 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000191662904 823726827 /nfs/dbraw/zinc/72/68/27/823726827.db2.gz WHIYQYUBBQTPFL-QGZVFWFLSA-N 1 0 376.426 4.369 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000461908269 823749322 /nfs/dbraw/zinc/74/93/22/823749322.db2.gz DGUYZUPVWYDGIG-MOPGFXCFSA-N 1 0 375.516 4.353 20 30 GIEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129710 823752434 /nfs/dbraw/zinc/75/24/34/823752434.db2.gz RFKSMEJDHQRIFV-UHFFFAOYSA-N 1 0 387.593 4.101 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c4cc(Cl)ccc43)CC2)cc1 ZINC000064354406 823799692 /nfs/dbraw/zinc/79/96/92/823799692.db2.gz FXFFZETZJAZYNP-UHFFFAOYSA-N 1 0 392.890 4.041 20 30 GIEDRO CC(C)c1ccc(-c2nc(C(=O)N(CCC#N)CCC[NH+](C)C)cs2)cc1 ZINC000064361322 823800759 /nfs/dbraw/zinc/80/07/59/823800759.db2.gz JSGJVOLGZVDAJH-UHFFFAOYSA-N 1 0 384.549 4.241 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462034255 823804661 /nfs/dbraw/zinc/80/46/61/823804661.db2.gz VOAKRKDVIVFMCE-QGZVFWFLSA-N 1 0 379.529 4.158 20 30 GIEDRO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000462051482 823813260 /nfs/dbraw/zinc/81/32/60/823813260.db2.gz FWWFSYLZOYZMML-QGZVFWFLSA-N 1 0 395.934 4.344 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC000574782164 823825344 /nfs/dbraw/zinc/82/53/44/823825344.db2.gz VRJIXMNJNMUIFL-MBOZVWFJSA-N 1 0 394.906 4.069 20 30 GIEDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000126281230 823828674 /nfs/dbraw/zinc/82/86/74/823828674.db2.gz SUPYPUZYTWNHDS-CQSZACIVSA-N 1 0 376.570 4.104 20 30 GIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2 ZINC000126285784 823830120 /nfs/dbraw/zinc/83/01/20/823830120.db2.gz PIFFWSYYNWQXTA-GOSISDBHSA-N 1 0 392.532 4.111 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C2CC2)sc2c1CCC2 ZINC000165292922 823842690 /nfs/dbraw/zinc/84/26/90/823842690.db2.gz GOSVFBCJHOTIMO-UHFFFAOYSA-N 1 0 383.492 4.241 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413843106 823849516 /nfs/dbraw/zinc/84/95/16/823849516.db2.gz ZCSNKEYCLAYCSX-SFHVURJKSA-N 1 0 397.485 4.232 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175789 823854847 /nfs/dbraw/zinc/85/48/47/823854847.db2.gz AIYOHTHWIFTSCM-KBMIEXCESA-N 1 0 395.506 4.476 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)sc2c1CCC2 ZINC000165627875 823855930 /nfs/dbraw/zinc/85/59/30/823855930.db2.gz DVNBMLJFILOEFE-GOSISDBHSA-N 1 0 383.492 4.413 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2cccc(F)c2)sc2c1CCC2 ZINC000165627751 823855948 /nfs/dbraw/zinc/85/59/48/823855948.db2.gz DVNBMLJFILOEFE-SFHVURJKSA-N 1 0 383.492 4.413 20 30 GIEDRO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc(C#N)c1 ZINC000462180553 823857148 /nfs/dbraw/zinc/85/71/48/823857148.db2.gz MUAXICRNWNCWDE-NBGIEHNGSA-N 1 0 387.527 4.176 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000574934012 823863545 /nfs/dbraw/zinc/86/35/45/823863545.db2.gz UGCWMUDEYWJQKC-UHFFFAOYSA-N 1 0 393.922 4.208 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000064742945 823877766 /nfs/dbraw/zinc/87/77/66/823877766.db2.gz NUKUZZWXIVLDKE-QGZVFWFLSA-N 1 0 392.503 4.120 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000575004258 823884445 /nfs/dbraw/zinc/88/44/45/823884445.db2.gz OWDGBHRRAMEKAD-FQEVSTJZSA-N 1 0 381.907 4.242 20 30 GIEDRO C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462232562 823885879 /nfs/dbraw/zinc/88/58/79/823885879.db2.gz MOJLRPHWVZDAKY-DXIQSLLYSA-N 1 0 375.516 4.079 20 30 GIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CC3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000575027226 823892614 /nfs/dbraw/zinc/89/26/14/823892614.db2.gz WARKQZCFGQKXMG-BOYUCYPVSA-N 1 0 387.527 4.223 20 30 GIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000126578960 823904349 /nfs/dbraw/zinc/90/43/49/823904349.db2.gz AHGMGCJYYWFBSE-KRWDZBQOSA-N 1 0 396.922 4.190 20 30 GIEDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462279397 823910582 /nfs/dbraw/zinc/91/05/82/823910582.db2.gz YMXVZXXNIBFFLF-FIKMYACPSA-N 1 0 399.897 4.263 20 30 GIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1nccs1 ZINC000575224857 823945902 /nfs/dbraw/zinc/94/59/02/823945902.db2.gz UYYGKQYEPIURLZ-OAHLLOKOSA-N 1 0 396.438 4.177 20 30 GIEDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1 ZINC000462407635 823962533 /nfs/dbraw/zinc/96/25/33/823962533.db2.gz LMXOVLNOFRTNRT-GCJKJVERSA-N 1 0 375.516 4.079 20 30 GIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414349562 823962938 /nfs/dbraw/zinc/96/29/38/823962938.db2.gz KGMMSGXEZBUMIK-HNAYVOBHSA-N 1 0 376.342 4.085 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414899826 824047523 /nfs/dbraw/zinc/04/75/23/824047523.db2.gz GIIVZVZOUYTZST-FRQCXROJSA-N 1 0 382.895 4.387 20 30 GIEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414902064 824048012 /nfs/dbraw/zinc/04/80/12/824048012.db2.gz JKWSSNOULXLIEX-ZRGWGRIASA-N 1 0 382.895 4.196 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1Cl ZINC000414911706 824048945 /nfs/dbraw/zinc/04/89/45/824048945.db2.gz SVISUBQSKKCYDL-LJQANCHMSA-N 1 0 382.895 4.259 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000414914937 824049484 /nfs/dbraw/zinc/04/94/84/824049484.db2.gz YMULREBSCDJGON-URLQWDBASA-N 1 0 382.895 4.244 20 30 GIEDRO CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000414914902 824049531 /nfs/dbraw/zinc/04/95/31/824049531.db2.gz YFCBLRIFZVRZPD-ICSRJNTNSA-N 1 0 382.895 4.196 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1Cl ZINC000414915712 824049543 /nfs/dbraw/zinc/04/95/43/824049543.db2.gz ZNAXBLZTSRDSEA-IBGZPJMESA-N 1 0 382.895 4.198 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)cc2Cl)cc1 ZINC000414958551 824053667 /nfs/dbraw/zinc/05/36/67/824053667.db2.gz DHLILMHTHDUICI-OAHLLOKOSA-N 1 0 384.867 4.125 20 30 GIEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969242 824055701 /nfs/dbraw/zinc/05/57/01/824055701.db2.gz SQZSEJFUQIFJKU-HIFRSBDPSA-N 1 0 384.867 4.205 20 30 GIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627247 719078127 /nfs/dbraw/zinc/07/81/27/719078127.db2.gz QAVHIMBXAOZRCJ-CRAIPNDOSA-N 1 0 387.314 4.361 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)cc2C#N)CC3)cs1 ZINC001164694024 719812096 /nfs/dbraw/zinc/81/20/96/719812096.db2.gz ZSHNCTODBRWTAW-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726123 720339693 /nfs/dbraw/zinc/33/96/93/720339693.db2.gz PUQHOQRRBAMJCW-PKTZIBPZSA-N 1 0 399.473 4.008 20 30 GIEDRO N#Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726935 720471791 /nfs/dbraw/zinc/47/17/91/720471791.db2.gz MZSHKVDKWJONAI-SFTDATJTSA-N 1 0 389.890 4.008 20 30 GIEDRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001165054416 722007300 /nfs/dbraw/zinc/00/73/00/722007300.db2.gz MEOUNQPMFKJJEO-UHFFFAOYSA-N 1 0 385.899 4.105 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120802529 823067195 /nfs/dbraw/zinc/06/71/95/823067195.db2.gz BJJFAGCHUGJGKT-PZJWPPBQSA-N 1 0 378.520 4.321 20 30 GIEDRO C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000458779640 823084629 /nfs/dbraw/zinc/08/46/29/823084629.db2.gz RQENMLBOQOGAPB-VLCRHTCISA-N 1 0 378.520 4.412 20 30 GIEDRO Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000120995330 823099339 /nfs/dbraw/zinc/09/93/39/823099339.db2.gz WZKNDTIXQNTYNA-IBGZPJMESA-N 1 0 380.492 4.102 20 30 GIEDRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056216213 823105640 /nfs/dbraw/zinc/10/56/40/823105640.db2.gz JEPPGRWQPRUSPE-GOSISDBHSA-N 1 0 376.504 4.026 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176099603 823119942 /nfs/dbraw/zinc/11/99/42/823119942.db2.gz CVWXFPCTBSWZJW-FXAWDEMLSA-N 1 0 379.529 4.085 20 30 GIEDRO C=C(C)[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187785142 823132663 /nfs/dbraw/zinc/13/26/63/823132663.db2.gz YCHSBOWTAVVODS-HXUWFJFHSA-N 1 0 395.471 4.044 20 30 GIEDRO C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176192199 823149376 /nfs/dbraw/zinc/14/93/76/823149376.db2.gz ZGYJGBRKCBMVRN-UHFFFAOYSA-N 1 0 393.531 4.057 20 30 GIEDRO C=CCC[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000121343390 823166815 /nfs/dbraw/zinc/16/68/15/823166815.db2.gz PKVKLKXAEZFICE-FQEVSTJZSA-N 1 0 386.517 4.112 20 30 GIEDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000571605155 823207215 /nfs/dbraw/zinc/20/72/15/823207215.db2.gz XJAXCZJKLLPNBK-MGPUTAFESA-N 1 0 376.422 4.296 20 30 GIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459515430 823208916 /nfs/dbraw/zinc/20/89/16/823208916.db2.gz ACQNXPCHLGSQOR-OAQYLSRUSA-N 1 0 397.906 4.034 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000571613407 823209124 /nfs/dbraw/zinc/20/91/24/823209124.db2.gz JVMTYOXELYJKQI-JTJFMMGNSA-N 1 0 381.545 4.163 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)C(C)C ZINC000459547318 823217459 /nfs/dbraw/zinc/21/74/59/823217459.db2.gz VJPZLNMEKBFTNI-GOSISDBHSA-N 1 0 385.537 4.025 20 30 GIEDRO C=CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)c1ccccc1 ZINC000188354210 823224408 /nfs/dbraw/zinc/22/44/08/823224408.db2.gz FIWFCUDTSJFURG-NRFANRHFSA-N 1 0 393.531 4.136 20 30 GIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)CC1 ZINC000409462820 823225469 /nfs/dbraw/zinc/22/54/69/823225469.db2.gz BZRYMPGZDWTCKE-UHFFFAOYSA-N 1 0 399.498 4.228 20 30 GIEDRO COc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1OCCCC#N ZINC000459630695 823233068 /nfs/dbraw/zinc/23/30/68/823233068.db2.gz PVHKEQSJJWGCJB-UHFFFAOYSA-N 1 0 386.442 4.330 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)ccc1Cl ZINC000459632303 823233286 /nfs/dbraw/zinc/23/32/86/823233286.db2.gz CJADRTRLWLNIMA-SFHVURJKSA-N 1 0 398.938 4.291 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000176555237 823236022 /nfs/dbraw/zinc/23/60/22/823236022.db2.gz JXERBWCWDGLFTJ-UHFFFAOYSA-N 1 0 398.482 4.104 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188433122 823240215 /nfs/dbraw/zinc/24/02/15/823240215.db2.gz NXZPFIRYDDSJPP-UHFFFAOYSA-N 1 0 391.540 4.086 20 30 GIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459683877 823250047 /nfs/dbraw/zinc/25/00/47/823250047.db2.gz BKVYMRDOZIJHFE-DLBZAZTESA-N 1 0 383.467 4.129 20 30 GIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057154756 823256393 /nfs/dbraw/zinc/25/63/93/823256393.db2.gz GYZFOIMDQSSPFV-UHFFFAOYSA-N 1 0 395.506 4.332 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409652226 823274286 /nfs/dbraw/zinc/27/42/86/823274286.db2.gz LCNPZWXAPHOLEX-UHFFFAOYSA-N 1 0 376.544 4.245 20 30 GIEDRO N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)cc1 ZINC000188648490 823279974 /nfs/dbraw/zinc/27/99/74/823279974.db2.gz FGLPFZDHQRKWIK-UPVQGACJSA-N 1 0 399.538 4.103 20 30 GIEDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000057286438 823276257 /nfs/dbraw/zinc/27/62/57/823276257.db2.gz XOGCYJCKDGHLHY-UHFFFAOYSA-N 1 0 390.531 4.322 20 30 GIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cc1 ZINC000006367189 817684150 /nfs/dbraw/zinc/68/41/50/817684150.db2.gz ZGWKYYLFNFHTNJ-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572171807 823294313 /nfs/dbraw/zinc/29/43/13/823294313.db2.gz LZSSVGSZKITGLA-IAGOWNOFSA-N 1 0 393.491 4.130 20 30 GIEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)Nc2ccccc2)cc1 ZINC000007611280 817879155 /nfs/dbraw/zinc/87/91/55/817879155.db2.gz XJROVDBAFADNLI-UHFFFAOYSA-O 1 0 394.495 4.230 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC000572260340 823308871 /nfs/dbraw/zinc/30/88/71/823308871.db2.gz ZAQIKQUQQXNIRB-INIZCTEOSA-N 1 0 380.879 4.118 20 30 GIEDRO CCc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000015246716 818302209 /nfs/dbraw/zinc/30/22/09/818302209.db2.gz HFHIXXCEZRZRDR-UHFFFAOYSA-O 1 0 391.516 4.080 20 30 GIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000015247376 818302755 /nfs/dbraw/zinc/30/27/55/818302755.db2.gz TZIXFJMXQNSKPS-UHFFFAOYSA-O 1 0 391.516 4.080 20 30 GIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000176960113 823335143 /nfs/dbraw/zinc/33/51/43/823335143.db2.gz KXLLXPNOIZTTOX-HXUWFJFHSA-N 1 0 382.533 4.117 20 30 GIEDRO C=CC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(Cl)s1 ZINC000016341648 818426831 /nfs/dbraw/zinc/42/68/31/818426831.db2.gz NFXFQQVPWQPDCD-UHFFFAOYSA-N 1 0 377.897 4.128 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473386 823346263 /nfs/dbraw/zinc/34/62/63/823346263.db2.gz RYIKTDNXDREJNA-UTKZUKDTSA-N 1 0 394.494 4.022 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(C)c1 ZINC000020887759 818635837 /nfs/dbraw/zinc/63/58/37/818635837.db2.gz WPVIISGFZZWYJB-UHFFFAOYSA-O 1 0 380.320 4.304 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2Cn2cccn2)ccc1OC ZINC000057960198 823350413 /nfs/dbraw/zinc/35/04/13/823350413.db2.gz WXVMVIYCBCMPHE-UHFFFAOYSA-N 1 0 377.488 4.185 20 30 GIEDRO CCCCN(C)C(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177036264 823356023 /nfs/dbraw/zinc/35/60/23/823356023.db2.gz IXXHEJGUXJCVPB-UHFFFAOYSA-N 1 0 380.454 4.027 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000022014975 818763640 /nfs/dbraw/zinc/76/36/40/818763640.db2.gz DZVWSXFGGAFFBW-UHFFFAOYSA-N 1 0 397.500 4.122 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189149156 823365307 /nfs/dbraw/zinc/36/53/07/823365307.db2.gz NJOXIMYZSSNRER-UHFFFAOYSA-N 1 0 391.540 4.086 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1CC ZINC000022686208 818843602 /nfs/dbraw/zinc/84/36/02/818843602.db2.gz SBOABJDEWCDYJS-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccccc2)cc1 ZINC000022693047 818845411 /nfs/dbraw/zinc/84/54/11/818845411.db2.gz QOFDPFMUFKCANI-UHFFFAOYSA-O 1 0 397.545 4.081 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)c(C)s1 ZINC000022730833 818851924 /nfs/dbraw/zinc/85/19/24/818851924.db2.gz WYCYNQFHTUPIAZ-UHFFFAOYSA-O 1 0 381.546 4.381 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1C ZINC000022735206 818853177 /nfs/dbraw/zinc/85/31/77/818853177.db2.gz YIAXQBRLBVTSBG-UHFFFAOYSA-O 1 0 389.544 4.362 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022798880 818862548 /nfs/dbraw/zinc/86/25/48/818862548.db2.gz BLEQEXAJMJCICC-UHFFFAOYSA-O 1 0 397.564 4.385 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc4ccccc4c(Cl)n3)CC2)cc1 ZINC000022977708 818882693 /nfs/dbraw/zinc/88/26/93/818882693.db2.gz DEHRKFYVIFQRCX-UHFFFAOYSA-N 1 0 376.891 4.472 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000058452414 823393370 /nfs/dbraw/zinc/39/33/70/823393370.db2.gz MGNHDPQXHSNSLU-UHFFFAOYSA-N 1 0 376.504 4.420 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000058563651 823410041 /nfs/dbraw/zinc/41/00/41/823410041.db2.gz UUXFELBDYSDTNL-IHLLOCCUSA-N 1 0 375.516 4.077 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460555821 823430995 /nfs/dbraw/zinc/43/09/95/823430995.db2.gz ROEQUEGVWOJOFC-TZIWHRDSSA-N 1 0 381.568 4.062 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460565739 823435428 /nfs/dbraw/zinc/43/54/28/823435428.db2.gz ZPOZVJFOQVAIAR-UHFFFAOYSA-N 1 0 397.542 4.039 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000025288203 819955733 /nfs/dbraw/zinc/95/57/33/819955733.db2.gz VENQMZCTDGEFLR-OZXSUGGESA-N 1 0 398.506 4.140 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000027072751 820189339 /nfs/dbraw/zinc/18/93/39/820189339.db2.gz JDUBSGIMUANFCF-HXUWFJFHSA-O 1 0 397.564 4.113 20 30 GIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1 ZINC000027092920 820193239 /nfs/dbraw/zinc/19/32/39/820193239.db2.gz ADXVWSNXJOZLMB-UHFFFAOYSA-O 1 0 389.500 4.268 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC2CCCCC2)cc1 ZINC000027327948 820224723 /nfs/dbraw/zinc/22/47/23/820224723.db2.gz PFBIHKLCYOQGNS-UHFFFAOYSA-O 1 0 395.548 4.079 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(N(C)C)cc1 ZINC000027327579 820224733 /nfs/dbraw/zinc/22/47/33/820224733.db2.gz GKSMVKMWRCCJNM-UHFFFAOYSA-O 1 0 398.596 4.294 20 30 GIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)CC1 ZINC000027370574 820232460 /nfs/dbraw/zinc/23/24/60/820232460.db2.gz QNZAOTVWJJFUCZ-UHFFFAOYSA-N 1 0 390.531 4.132 20 30 GIEDRO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)C(C)C)cc1OCC ZINC000027379446 820235257 /nfs/dbraw/zinc/23/52/57/820235257.db2.gz ROCQSGWQWFDYLQ-HSZRJFAPSA-N 1 0 395.503 4.281 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C)cc2)c1 ZINC000027485413 820251123 /nfs/dbraw/zinc/25/11/23/820251123.db2.gz NAGFBWPQHRPVTD-YLJYHZDGSA-O 1 0 397.564 4.398 20 30 GIEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000027486576 820251720 /nfs/dbraw/zinc/25/17/20/820251720.db2.gz GMTKAZIDNDSLER-KBXCAEBGSA-O 1 0 389.491 4.359 20 30 GIEDRO C=CCN1CC[C@H]([N@@H+](CC)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349547 823469970 /nfs/dbraw/zinc/46/99/70/823469970.db2.gz QFOOSHQTBKEGKO-HOTGVXAUSA-N 1 0 395.366 4.095 20 30 GIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000123165892 823472919 /nfs/dbraw/zinc/47/29/19/823472919.db2.gz ULYQXGWLSNNQBH-AVRDEDQJSA-N 1 0 390.487 4.299 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000410358785 823473539 /nfs/dbraw/zinc/47/35/39/823473539.db2.gz IOZLEJBWCKCSDM-RBUKOAKNSA-N 1 0 390.531 4.351 20 30 GIEDRO N#CC1(CCC[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCOCC1 ZINC000410420909 823492265 /nfs/dbraw/zinc/49/22/65/823492265.db2.gz KTRCHBKBICUXTL-OAQYLSRUSA-N 1 0 377.488 4.057 20 30 GIEDRO C[C@H]1CCC[C@](CNC(=O)c2ccccc2-c2ccccc2C#N)([NH+](C)C)C1 ZINC000059891327 823501994 /nfs/dbraw/zinc/50/19/94/823501994.db2.gz MOMKXPAFTCVLIX-UUOWRZLLSA-N 1 0 375.516 4.466 20 30 GIEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000410666354 823508399 /nfs/dbraw/zinc/50/83/99/823508399.db2.gz ZJCIOLFKHGOQAZ-UHFFFAOYSA-N 1 0 379.382 4.159 20 30 GIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2C1 ZINC000123571975 823522656 /nfs/dbraw/zinc/52/26/56/823522656.db2.gz DZTYKBTVAXFTMM-UHFFFAOYSA-N 1 0 377.488 4.132 20 30 GIEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000033221802 821050721 /nfs/dbraw/zinc/05/07/21/821050721.db2.gz DQIABGLCFBFXRN-UHFFFAOYSA-N 1 0 399.494 4.129 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000177777984 823524967 /nfs/dbraw/zinc/52/49/67/823524967.db2.gz UOGGGPISEXLMMW-QGZVFWFLSA-N 1 0 382.895 4.309 20 30 GIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000041465882 821194564 /nfs/dbraw/zinc/19/45/64/821194564.db2.gz IWLSNLINQYTQMH-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(C(CC)CC)cc1 ZINC000041465530 821194593 /nfs/dbraw/zinc/19/45/93/821194593.db2.gz MZQMCUKLSVTNMU-UHFFFAOYSA-O 1 0 385.553 4.435 20 30 GIEDRO C[N@H+](CCCCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190508580 823582180 /nfs/dbraw/zinc/58/21/80/823582180.db2.gz LWRWSXDGOCSQLI-INIZCTEOSA-N 1 0 381.314 4.133 20 30 GIEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177860792 823537710 /nfs/dbraw/zinc/53/77/10/823537710.db2.gz PRHCPAKVEWNVFX-LBPRGKRZSA-N 1 0 395.356 4.103 20 30 GIEDRO Cc1cc(Cl)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043173036 821373511 /nfs/dbraw/zinc/37/35/11/821373511.db2.gz PQQUGCVCJDXHSK-UHFFFAOYSA-N 1 0 382.895 4.260 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CSCCc3ccccc32)ccc1OC ZINC000180817318 821477890 /nfs/dbraw/zinc/47/78/90/821477890.db2.gz OPKQAJRMWUAUJC-ICSRJNTNSA-N 1 0 382.529 4.496 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180894015 821520616 /nfs/dbraw/zinc/52/06/16/821520616.db2.gz WRBZYPKDYFVMNI-QZTJIDSGSA-N 1 0 376.504 4.130 20 30 GIEDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214237 821701368 /nfs/dbraw/zinc/70/13/68/821701368.db2.gz RMZKBOGLTHVOQT-CYBMUJFWSA-N 1 0 395.812 4.112 20 30 GIEDRO Cc1ccc(OCCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181522216 821865247 /nfs/dbraw/zinc/86/52/47/821865247.db2.gz KXOPSVQUJRKEGP-UHFFFAOYSA-N 1 0 377.532 4.280 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000181532212 821869861 /nfs/dbraw/zinc/86/98/61/821869861.db2.gz LXMYMDIRPRKEDT-UHFFFAOYSA-N 1 0 381.495 4.357 20 30 GIEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000181534814 821871339 /nfs/dbraw/zinc/87/13/39/821871339.db2.gz YHIFGWZKWSKIND-SFHVURJKSA-N 1 0 377.488 4.201 20 30 GIEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000181574330 821885886 /nfs/dbraw/zinc/88/58/86/821885886.db2.gz JOEBTLLIRNUDMF-QFBILLFUSA-N 1 0 381.476 4.056 20 30 GIEDRO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000181578285 821886895 /nfs/dbraw/zinc/88/68/95/821886895.db2.gz WWBFORDMZXYFPZ-HSZRJFAPSA-N 1 0 387.531 4.386 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(C3CC3)nc3sccn23)ccc1OC ZINC000181796871 821996238 /nfs/dbraw/zinc/99/62/38/821996238.db2.gz XAEAVVVTTZACOH-INIZCTEOSA-N 1 0 396.516 4.253 20 30 GIEDRO COc1ccc([C@H](C)CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181813457 822003487 /nfs/dbraw/zinc/00/34/87/822003487.db2.gz IUJMPCNYOKFINO-LJQANCHMSA-N 1 0 377.532 4.315 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821122 822005945 /nfs/dbraw/zinc/00/59/45/822005945.db2.gz MQDABMAMMASKLO-GOSISDBHSA-N 1 0 394.475 4.118 20 30 GIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845569 822015614 /nfs/dbraw/zinc/01/56/14/822015614.db2.gz JUSMSUDRXMHUIP-AUSJPIAWSA-N 1 0 379.460 4.110 20 30 GIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000181855931 822017850 /nfs/dbraw/zinc/01/78/50/822017850.db2.gz OJEDKCUCVYBCKP-UHFFFAOYSA-N 1 0 396.491 4.163 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCCC2)c1 ZINC000181872466 822022456 /nfs/dbraw/zinc/02/24/56/822022456.db2.gz SACXSOVGJYKWSQ-HNNXBMFYSA-N 1 0 382.895 4.101 20 30 GIEDRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2c(OC)c1 ZINC000181875741 822023230 /nfs/dbraw/zinc/02/32/30/822023230.db2.gz QBOBUDHAOGPPHL-MRXNPFEDSA-N 1 0 393.487 4.371 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1OC ZINC000453576002 822386895 /nfs/dbraw/zinc/38/68/95/822386895.db2.gz OYFGKMCYPXWCRN-UHFFFAOYSA-N 1 0 379.500 4.324 20 30 GIEDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178515042 822386955 /nfs/dbraw/zinc/38/69/55/822386955.db2.gz LOFLGVVOUCRMKV-UHFFFAOYSA-N 1 0 391.515 4.347 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)C2CCCCC2)c1C#N ZINC000182936203 822395927 /nfs/dbraw/zinc/39/59/27/822395927.db2.gz HXVCCVXVHTZPQD-MRXNPFEDSA-N 1 0 382.508 4.115 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680119 822402135 /nfs/dbraw/zinc/40/21/35/822402135.db2.gz FGABRTARFBABTP-HZPDHXFCSA-N 1 0 387.505 4.219 20 30 GIEDRO N#Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000454356494 822461311 /nfs/dbraw/zinc/46/13/11/822461311.db2.gz GZZTWAHATZZNGN-HSZRJFAPSA-N 1 0 390.531 4.183 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454445653 822476961 /nfs/dbraw/zinc/47/69/61/822476961.db2.gz MGYHRMQDVJUWGY-IBGZPJMESA-N 1 0 390.531 4.474 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000046526740 822481166 /nfs/dbraw/zinc/48/11/66/822481166.db2.gz KFUNFTVSCDKEJA-UHFFFAOYSA-N 1 0 392.528 4.221 20 30 GIEDRO N#CC[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000454496394 822484958 /nfs/dbraw/zinc/48/49/58/822484958.db2.gz ZFHSPNGIPJYWNL-GMAHTHKFSA-N 1 0 396.579 4.103 20 30 GIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000179547360 822501108 /nfs/dbraw/zinc/50/11/08/822501108.db2.gz SNWCJVYRBBQVPI-UHFFFAOYSA-N 1 0 397.219 4.243 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000179628605 822515589 /nfs/dbraw/zinc/51/55/89/822515589.db2.gz HUCKOHYPJYVHTH-UHFFFAOYSA-N 1 0 377.488 4.060 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000183731561 822518197 /nfs/dbraw/zinc/51/81/97/822518197.db2.gz MRWMKNCWYMVFGM-CQSZACIVSA-N 1 0 376.485 4.280 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000046858158 822524898 /nfs/dbraw/zinc/52/48/98/822524898.db2.gz WANGUZLJGFUXRB-QGZVFWFLSA-N 1 0 379.529 4.314 20 30 GIEDRO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179716002 822533628 /nfs/dbraw/zinc/53/36/28/822533628.db2.gz CEQQKFCAJQWMGO-ZBFHGGJFSA-N 1 0 379.451 4.060 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C3(c4ccc(F)cc4F)CCC3)CC2)cc1 ZINC000179755329 822543846 /nfs/dbraw/zinc/54/38/46/822543846.db2.gz KDSCGWNNNLCLGK-UHFFFAOYSA-N 1 0 381.470 4.470 20 30 GIEDRO CCc1noc(C2CCC([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000183906483 822543984 /nfs/dbraw/zinc/54/39/84/822543984.db2.gz GHOVYPPQKLMUQI-UHFFFAOYSA-N 1 0 377.410 4.318 20 30 GIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961448 822563642 /nfs/dbraw/zinc/56/36/42/822563642.db2.gz ZOGHGQDZYJFUJC-GCJKJVERSA-N 1 0 375.516 4.079 20 30 GIEDRO Cn1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179890694 822572282 /nfs/dbraw/zinc/57/22/82/822572282.db2.gz OFZWTZMHNDXMQM-UHFFFAOYSA-N 1 0 385.515 4.191 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964293 822586737 /nfs/dbraw/zinc/58/67/37/822586737.db2.gz VEINMTHMOLVTLJ-IVZQSRNASA-N 1 0 381.451 4.077 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001368 822593438 /nfs/dbraw/zinc/59/34/38/822593438.db2.gz MTFACXWJHSLBCC-MBSDFSHPSA-N 1 0 388.515 4.005 20 30 GIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OCCCC#N ZINC000180030689 822600744 /nfs/dbraw/zinc/60/07/44/822600744.db2.gz GHJVSJWIAYHNPG-UHFFFAOYSA-N 1 0 375.472 4.414 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000455196946 822605968 /nfs/dbraw/zinc/60/59/68/822605968.db2.gz IPDIABWOGBUSIR-HXUWFJFHSA-N 1 0 395.572 4.217 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000455196945 822605973 /nfs/dbraw/zinc/60/59/73/822605973.db2.gz IPDIABWOGBUSIR-FQEVSTJZSA-N 1 0 395.572 4.217 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000184301736 822611011 /nfs/dbraw/zinc/61/10/11/822611011.db2.gz IOJFZMTZGYJECW-HBFSDRIKSA-N 1 0 392.503 4.152 20 30 GIEDRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000184317638 822613694 /nfs/dbraw/zinc/61/36/94/822613694.db2.gz NUSWDROXIVYGPI-KRWDZBQOSA-N 1 0 387.524 4.277 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 ZINC000184328967 822615861 /nfs/dbraw/zinc/61/58/61/822615861.db2.gz MTGWZCKYZFCARO-HOTGVXAUSA-N 1 0 383.492 4.132 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)c(C)c2c1 ZINC000184329847 822616342 /nfs/dbraw/zinc/61/63/42/822616342.db2.gz YRSUCURFPGASMA-ZDUSSCGKSA-N 1 0 381.432 4.121 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000184357506 822621487 /nfs/dbraw/zinc/62/14/87/822621487.db2.gz DDACGAQGCNTOMP-GOSISDBHSA-N 1 0 392.503 4.011 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)Cc1ccccc1 ZINC000184361304 822622150 /nfs/dbraw/zinc/62/21/50/822622150.db2.gz IQZKWEOUZQJEDI-QUCCMNQESA-N 1 0 394.519 4.052 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)Cc1ccccc1 ZINC000184361284 822622243 /nfs/dbraw/zinc/62/22/43/822622243.db2.gz IQZKWEOUZQJEDI-AZUAARDMSA-N 1 0 394.519 4.052 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180221810 822642246 /nfs/dbraw/zinc/64/22/46/822642246.db2.gz LQCQMNHQLKAXBW-KRWDZBQOSA-N 1 0 380.455 4.052 20 30 GIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184548082 822655188 /nfs/dbraw/zinc/65/51/88/822655188.db2.gz BYYRALQFGBBRDB-HZPDHXFCSA-N 1 0 384.549 4.086 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542942 822699118 /nfs/dbraw/zinc/69/91/18/822699118.db2.gz VWLBYMQCICDQIH-CVEARBPZSA-N 1 0 378.476 4.285 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180554723 822701472 /nfs/dbraw/zinc/70/14/72/822701472.db2.gz YIPKDKHBZZMJKN-AWEZNQCLSA-N 1 0 385.386 4.371 20 30 GIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455697146 822705225 /nfs/dbraw/zinc/70/52/25/822705225.db2.gz DGZXOFHKNWPLJR-OAHLLOKOSA-N 1 0 397.910 4.148 20 30 GIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455702952 822707081 /nfs/dbraw/zinc/70/70/81/822707081.db2.gz LROFWEBYCPWTEC-UHFFFAOYSA-N 1 0 384.911 4.438 20 30 GIEDRO C[C@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000455733660 822716510 /nfs/dbraw/zinc/71/65/10/822716510.db2.gz NVOLVZVCTSISBO-HNAYVOBHSA-N 1 0 382.895 4.191 20 30 GIEDRO CN(C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1Cl ZINC000455749747 822719438 /nfs/dbraw/zinc/71/94/38/822719438.db2.gz KMOCOJYTWOHRRK-GOSISDBHSA-N 1 0 391.302 4.484 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000455776722 822724527 /nfs/dbraw/zinc/72/45/27/822724527.db2.gz SIIBRVJNVUSHBQ-MRXNPFEDSA-N 1 0 384.524 4.074 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000455908763 822746857 /nfs/dbraw/zinc/74/68/57/822746857.db2.gz RIPPOEIHGZHCEW-SFHVURJKSA-N 1 0 390.409 4.196 20 30 GIEDRO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133650 822747732 /nfs/dbraw/zinc/74/77/32/822747732.db2.gz BCMLSNPDLCHEPV-XMSQKQJNSA-N 1 0 397.906 4.250 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133509 822747764 /nfs/dbraw/zinc/74/77/64/822747764.db2.gz BSILAGZWKLQQAI-AZUAARDMSA-N 1 0 383.517 4.048 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000455941068 822754088 /nfs/dbraw/zinc/75/40/88/822754088.db2.gz IMNIRVQMJWWMNZ-KXBFYZLASA-N 1 0 380.517 4.123 20 30 GIEDRO N#CCc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000455941326 822754098 /nfs/dbraw/zinc/75/40/98/822754098.db2.gz HJZJVPRAEUNXCZ-UHFFFAOYSA-N 1 0 382.895 4.192 20 30 GIEDRO C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456001147 822764818 /nfs/dbraw/zinc/76/48/18/822764818.db2.gz UPSNJFAMDLRCAT-WMZHIEFXSA-N 1 0 389.543 4.154 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000185335175 822767635 /nfs/dbraw/zinc/76/76/35/822767635.db2.gz HCXYDYSPNNLYKX-QGZVFWFLSA-N 1 0 378.426 4.226 20 30 GIEDRO C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456308058 822796766 /nfs/dbraw/zinc/79/67/66/822796766.db2.gz ONMXGGKDOZNYFM-FQEVSTJZSA-N 1 0 389.543 4.107 20 30 GIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174527191 822801440 /nfs/dbraw/zinc/80/14/40/822801440.db2.gz SGPRPBOCUUGOQG-QGZVFWFLSA-N 1 0 382.895 4.197 20 30 GIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2)cc1 ZINC000174552931 822804227 /nfs/dbraw/zinc/80/42/27/822804227.db2.gz SICMRSUMABNHSO-FQEVSTJZSA-N 1 0 389.499 4.299 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000174602592 822810876 /nfs/dbraw/zinc/81/08/76/822810876.db2.gz FINKIZZPAZDXDW-UHFFFAOYSA-N 1 0 378.451 4.026 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000052876879 822813819 /nfs/dbraw/zinc/81/38/19/822813819.db2.gz YJUXVGRZVNVEJN-UHFFFAOYSA-N 1 0 375.497 4.303 20 30 GIEDRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1OCCCC#N ZINC000174645162 822816977 /nfs/dbraw/zinc/81/69/77/822816977.db2.gz AMAHXINQULTNNG-UHFFFAOYSA-N 1 0 398.478 4.312 20 30 GIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053421910 822834157 /nfs/dbraw/zinc/83/41/57/822834157.db2.gz OJNWZZVBTOHOHR-XUZZJYLKSA-N 1 0 394.515 4.118 20 30 GIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174878112 822849745 /nfs/dbraw/zinc/84/97/45/822849745.db2.gz BVFRFOUBENODGB-GOSISDBHSA-N 1 0 389.499 4.309 20 30 GIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174903663 822853275 /nfs/dbraw/zinc/85/32/75/822853275.db2.gz RBMLUDWVEJSWGU-FQEVSTJZSA-N 1 0 390.531 4.474 20 30 GIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCCCC#N ZINC000175057093 822875065 /nfs/dbraw/zinc/87/50/65/822875065.db2.gz ILXOZMLHEDCKRA-MRXNPFEDSA-N 1 0 383.448 4.445 20 30 GIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCCCC#N ZINC000175057110 822875168 /nfs/dbraw/zinc/87/51/68/822875168.db2.gz ILXOZMLHEDCKRA-INIZCTEOSA-N 1 0 383.448 4.445 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccccc2)c(C)[nH]1 ZINC000055013490 822931200 /nfs/dbraw/zinc/93/12/00/822931200.db2.gz GZPPPGXOVTUVAH-INIZCTEOSA-O 1 0 378.521 4.209 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccccc2CC)cc1 ZINC000055014196 822931384 /nfs/dbraw/zinc/93/13/84/822931384.db2.gz VIIVWWZBPWFLCN-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO N#Cc1ccccc1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000055013910 822931452 /nfs/dbraw/zinc/93/14/52/822931452.db2.gz KFPIPMLNKBARGT-UHFFFAOYSA-O 1 0 394.426 4.175 20 30 GIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027874 822932323 /nfs/dbraw/zinc/93/23/23/822932323.db2.gz PCJULIFEFDVTPN-UHFFFAOYSA-O 1 0 393.557 4.253 20 30 GIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000458092481 822957571 /nfs/dbraw/zinc/95/75/71/822957571.db2.gz AHXSARZLOWVSSG-JOCHJYFZSA-N 1 0 378.520 4.373 20 30 GIEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000569805756 822971466 /nfs/dbraw/zinc/97/14/66/822971466.db2.gz ORUHZQXGJNFJCJ-OSFYOIPJSA-N 1 0 382.552 4.304 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(C)cc1C)[n+]1ccccc1 ZINC000186955226 822986390 /nfs/dbraw/zinc/98/63/90/822986390.db2.gz RTCYLQLZQPFCAF-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO CC[C@H](C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186964857 822988581 /nfs/dbraw/zinc/98/85/81/822988581.db2.gz NGBFNVVAFVUATE-ZDUSSCGKSA-O 1 0 388.557 4.203 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C)cc1 ZINC000186971430 822989826 /nfs/dbraw/zinc/98/98/26/822989826.db2.gz DGXCGLNCMHIXDA-UHFFFAOYSA-O 1 0 377.480 4.278 20 30 GIEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570203893 823014925 /nfs/dbraw/zinc/01/49/25/823014925.db2.gz NNOWNQWBCHQLEO-GHTZIAJQSA-N 1 0 391.519 4.213 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000175708309 823024802 /nfs/dbraw/zinc/02/48/02/823024802.db2.gz HTSXLOJUPALFEU-STQMWFEESA-N 1 0 377.366 4.135 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175764175 823034342 /nfs/dbraw/zinc/03/43/42/823034342.db2.gz SEGFBUHJHAMCOV-LPHOPBHVSA-N 1 0 379.529 4.264 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000177912182 823545465 /nfs/dbraw/zinc/54/54/65/823545465.db2.gz LLDAZQUGCKKVIC-LBPRGKRZSA-N 1 0 376.394 4.190 20 30 GIEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460963601 823551731 /nfs/dbraw/zinc/55/17/31/823551731.db2.gz YWTRCXLQIHSRHR-LJQANCHMSA-N 1 0 379.552 4.223 20 30 GIEDRO C=CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000190223689 823552453 /nfs/dbraw/zinc/55/24/53/823552453.db2.gz FMKNBHBRBSZXHE-HSZRJFAPSA-N 1 0 378.516 4.189 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCCC[C@@H]1C ZINC000060976030 823570649 /nfs/dbraw/zinc/57/06/49/823570649.db2.gz NGYQWDUDAHMYNQ-PMACEKPBSA-N 1 0 377.532 4.490 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000124179980 823574994 /nfs/dbraw/zinc/57/49/94/823574994.db2.gz OSXZFWUAHCIKLK-UHFFFAOYSA-N 1 0 387.527 4.450 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000411460739 823577351 /nfs/dbraw/zinc/57/73/51/823577351.db2.gz SBXJLLMQUYKYMB-CQSZACIVSA-N 1 0 391.393 4.179 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000124246818 823580797 /nfs/dbraw/zinc/58/07/97/823580797.db2.gz ITOZPEHSEOCJHG-SFHVURJKSA-N 1 0 379.287 4.499 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H](c3cccnc3)C3CC3)sc2C1 ZINC000411508533 823582482 /nfs/dbraw/zinc/58/24/82/823582482.db2.gz UYXCRRGJEKAPID-QKKBWIMNSA-N 1 0 394.544 4.209 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000061194388 823583509 /nfs/dbraw/zinc/58/35/09/823583509.db2.gz ZNBOAAZXQSDORL-FQEVSTJZSA-N 1 0 384.911 4.094 20 30 GIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCSc4ccc(Cl)cc43)C2=O)cc1 ZINC000190617071 823592112 /nfs/dbraw/zinc/59/21/12/823592112.db2.gz SVWKAFURXPXRTQ-MOPGFXCFSA-N 1 0 397.931 4.139 20 30 GIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190620914 823592610 /nfs/dbraw/zinc/59/26/10/823592610.db2.gz XHCOEWPUQMADLU-RBUKOAKNSA-N 1 0 399.441 4.001 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000190632579 823593735 /nfs/dbraw/zinc/59/37/35/823593735.db2.gz SABDACIFQZJWJD-KUHUBIRLSA-N 1 0 387.405 4.029 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cccc(F)c2)cc1OC ZINC000061581002 823605532 /nfs/dbraw/zinc/60/55/32/823605532.db2.gz FRMSRNAVQBHCOA-UHFFFAOYSA-N 1 0 394.284 4.494 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000461272255 823610083 /nfs/dbraw/zinc/61/00/83/823610083.db2.gz OPBUCJXLNLVJSO-HXUWFJFHSA-N 1 0 377.488 4.297 20 30 GIEDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411957626 823616771 /nfs/dbraw/zinc/61/67/71/823616771.db2.gz WKVXSPQIHCZMFZ-SZNDQCEHSA-N 1 0 389.565 4.010 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000411984954 823618122 /nfs/dbraw/zinc/61/81/22/823618122.db2.gz NJJBIJLXYNZVIB-SFHVURJKSA-N 1 0 388.508 4.070 20 30 GIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)C1 ZINC000412149893 823630790 /nfs/dbraw/zinc/63/07/90/823630790.db2.gz CLGGCJZUWKEKMA-PDIWNELESA-N 1 0 389.499 4.021 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000412188432 823633954 /nfs/dbraw/zinc/63/39/54/823633954.db2.gz BPUUKXKFBXNHPH-YFXJRYMSSA-N 1 0 379.548 4.165 20 30 GIEDRO CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461427039 823634522 /nfs/dbraw/zinc/63/45/22/823634522.db2.gz GCICCIFAAGASIM-YADHBBJMSA-N 1 0 387.527 4.082 20 30 GIEDRO CCC[NH+](CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063493649 823675901 /nfs/dbraw/zinc/67/59/01/823675901.db2.gz KBOZZJDYXIPNOU-UHFFFAOYSA-N 1 0 384.499 4.225 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccncc1)CCCCC2 ZINC000125482357 823679696 /nfs/dbraw/zinc/67/96/96/823679696.db2.gz MGMRQOPYORBUFG-IBGZPJMESA-N 1 0 394.544 4.449 20 30 GIEDRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739952 823689856 /nfs/dbraw/zinc/68/98/56/823689856.db2.gz ZFFHOKVUGPORLY-FXAWDEMLSA-N 1 0 381.545 4.313 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000191495634 823691415 /nfs/dbraw/zinc/69/14/15/823691415.db2.gz DYNFDVCJTCTQDP-UHFFFAOYSA-N 1 0 396.535 4.196 20 30 GIEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751238 823693470 /nfs/dbraw/zinc/69/34/70/823693470.db2.gz YPVBUBSXOAMMIR-UHFFFAOYSA-N 1 0 380.448 4.014 20 30 GIEDRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(O[C@H](C)C#N)cc3)c2)CC1 ZINC000125687032 823696766 /nfs/dbraw/zinc/69/67/66/823696766.db2.gz OJNUMQSVDBKCIN-LJQANCHMSA-N 1 0 378.520 4.120 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccncc3)CC1)CCCC2 ZINC000191635351 823720623 /nfs/dbraw/zinc/72/06/23/823720623.db2.gz BLUDKBQYEVUGRF-UHFFFAOYSA-N 1 0 394.544 4.102 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125849356 823728381 /nfs/dbraw/zinc/72/83/81/823728381.db2.gz ZSXLGOQHDHLPHX-INIZCTEOSA-N 1 0 393.936 4.213 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000461908271 823749211 /nfs/dbraw/zinc/74/92/11/823749211.db2.gz DGUYZUPVWYDGIG-RBUKOAKNSA-N 1 0 375.516 4.353 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000461910132 823750342 /nfs/dbraw/zinc/75/03/42/823750342.db2.gz TVOPBQTVGXASRV-MOPGFXCFSA-N 1 0 375.516 4.210 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000461910594 823750443 /nfs/dbraw/zinc/75/04/43/823750443.db2.gz NWWXLONLXAEUHQ-VAMGGRTRSA-N 1 0 389.543 4.456 20 30 GIEDRO COc1ccccc1-c1csc(C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191836162 823791364 /nfs/dbraw/zinc/79/13/64/823791364.db2.gz WERWMXPTNAMEQW-UHFFFAOYSA-N 1 0 392.528 4.408 20 30 GIEDRO N#Cc1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000413570960 823798407 /nfs/dbraw/zinc/79/84/07/823798407.db2.gz CNYSIBQWCZBACQ-UHFFFAOYSA-N 1 0 389.421 4.016 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3sccc3Br)CC2)cc1 ZINC000164369810 823798350 /nfs/dbraw/zinc/79/83/50/823798350.db2.gz LGICPQXZODMLGT-UHFFFAOYSA-N 1 0 390.350 4.090 20 30 GIEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000462034173 823804432 /nfs/dbraw/zinc/80/44/32/823804432.db2.gz ZHQDHQAXFVOMEM-IBGZPJMESA-N 1 0 375.516 4.354 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462045038 823810077 /nfs/dbraw/zinc/81/00/77/823810077.db2.gz AWZVXBASNQQATP-UHFFFAOYSA-N 1 0 393.409 4.131 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000064412380 823813789 /nfs/dbraw/zinc/81/37/89/823813789.db2.gz OLINEXXYRRQAMQ-UHFFFAOYSA-N 1 0 390.409 4.173 20 30 GIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000462081574 823822802 /nfs/dbraw/zinc/82/28/02/823822802.db2.gz CPYPMZBBDQFFRN-RTBURBONSA-N 1 0 375.516 4.442 20 30 GIEDRO COCCC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574778108 823824316 /nfs/dbraw/zinc/82/43/16/823824316.db2.gz LXXSYMSAMFCFFP-HSZRJFAPSA-N 1 0 377.532 4.155 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1OCCCC#N ZINC000064613831 823852904 /nfs/dbraw/zinc/85/29/04/823852904.db2.gz RHFIZNJABVDZGW-UHFFFAOYSA-N 1 0 395.322 4.492 20 30 GIEDRO C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000462246242 823895155 /nfs/dbraw/zinc/89/51/55/823895155.db2.gz KSNSCGAVLAMJIX-GOSISDBHSA-N 1 0 377.488 4.165 20 30 GIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccnn2C)c1 ZINC000575140961 823921760 /nfs/dbraw/zinc/92/17/60/823921760.db2.gz COJCNFSZRGMHCX-UHFFFAOYSA-N 1 0 386.499 4.311 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121996 823947727 /nfs/dbraw/zinc/94/77/27/823947727.db2.gz AZCPBUFLBBKVDM-IBGZPJMESA-N 1 0 389.421 4.390 20 30 GIEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cc1 ZINC000192509446 824016016 /nfs/dbraw/zinc/01/60/16/824016016.db2.gz JTRNWYBCKQIATM-JOCHJYFZSA-N 1 0 397.906 4.336 20 30 GIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127140397 824025028 /nfs/dbraw/zinc/02/50/28/824025028.db2.gz SDUYVNXMDGSSMZ-QGZVFWFLSA-N 1 0 378.476 4.034 20 30 GIEDRO CC1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]CC1 ZINC000414965891 824054709 /nfs/dbraw/zinc/05/47/09/824054709.db2.gz NZDVLAIUUHCWHG-UHFFFAOYSA-N 1 0 384.867 4.268 20 30 GIEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1C[NH3+] ZINC000414965129 824054805 /nfs/dbraw/zinc/05/48/05/824054805.db2.gz NCLOZGFUXXFINL-GOEBONIOSA-N 1 0 398.894 4.453 20 30 GIEDRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025871 721801493 /nfs/dbraw/zinc/80/14/93/721801493.db2.gz PSTWJNJKZFEXMQ-VDGAXYAQSA-N 1 0 395.938 4.047 20 30 GIEDRO CC[NH+](CC)C1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001165054076 722006056 /nfs/dbraw/zinc/00/60/56/722006056.db2.gz YRTCIZMYHTYIRQ-UHFFFAOYSA-N 1 0 378.520 4.037 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458803068 823088536 /nfs/dbraw/zinc/08/85/36/823088536.db2.gz QRMNNDINQAYDBH-JOCHJYFZSA-N 1 0 396.510 4.334 20 30 GIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c(C(F)(F)F)c1 ZINC000570862346 823097712 /nfs/dbraw/zinc/09/77/12/823097712.db2.gz MIVFFIFNZDOSAG-UHFFFAOYSA-N 1 0 389.299 4.203 20 30 GIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182871 823097527 /nfs/dbraw/zinc/09/75/27/823097527.db2.gz OEKUNRCCYOEYJY-SJORKVTESA-N 1 0 395.503 4.424 20 30 GIEDRO CC(C)(CC#N)CNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459230255 823148861 /nfs/dbraw/zinc/14/88/61/823148861.db2.gz FRDLEWIWJXTFFH-OAQYLSRUSA-N 1 0 396.579 4.258 20 30 GIEDRO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCCc4cc(C#N)ccc43)nc2)CC1 ZINC000571227582 823151877 /nfs/dbraw/zinc/15/18/77/823151877.db2.gz GGTWLVUSGSTWOC-HSZRJFAPSA-N 1 0 389.547 4.363 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000571329796 823166361 /nfs/dbraw/zinc/16/63/61/823166361.db2.gz CPNRUNQVYMSOMB-CQSZACIVSA-N 1 0 384.442 4.073 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000056561928 823170354 /nfs/dbraw/zinc/17/03/54/823170354.db2.gz PNBFSPNPDUEUPG-UHFFFAOYSA-N 1 0 396.510 4.106 20 30 GIEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000188119740 823189433 /nfs/dbraw/zinc/18/94/33/823189433.db2.gz XPZFHQJZCDPYRP-UHFFFAOYSA-N 1 0 391.515 4.085 20 30 GIEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000459453014 823195247 /nfs/dbraw/zinc/19/52/47/823195247.db2.gz ZPRYALDYOONPKH-UHFFFAOYSA-N 1 0 396.438 4.234 20 30 GIEDRO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)ccc1Br ZINC000571638192 823213327 /nfs/dbraw/zinc/21/33/27/823213327.db2.gz NQLJEUGWNAAHMT-CQSZACIVSA-N 1 0 378.314 4.100 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1OC ZINC000571665280 823216108 /nfs/dbraw/zinc/21/61/08/823216108.db2.gz YCULKHDICOHWPK-IBGZPJMESA-N 1 0 377.488 4.274 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176491563 823219922 /nfs/dbraw/zinc/21/99/22/823219922.db2.gz PBJKJHUWEZWWCV-UHFFFAOYSA-N 1 0 382.552 4.275 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459566657 823221569 /nfs/dbraw/zinc/22/15/69/823221569.db2.gz HTGUAWXGLFRFAV-GGAORHGYSA-N 1 0 376.500 4.110 20 30 GIEDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056985779 823237909 /nfs/dbraw/zinc/23/79/09/823237909.db2.gz SQIGWHZYRQFZCK-UHFFFAOYSA-N 1 0 391.515 4.082 20 30 GIEDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056985835 823237877 /nfs/dbraw/zinc/23/78/77/823237877.db2.gz OMKLLIFQFSBQHJ-UHFFFAOYSA-N 1 0 391.515 4.084 20 30 GIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000459777617 823263718 /nfs/dbraw/zinc/26/37/18/823263718.db2.gz XDSODYCOYCFODQ-KRWDZBQOSA-N 1 0 377.467 4.061 20 30 GIEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000571994902 823267237 /nfs/dbraw/zinc/26/72/37/823267237.db2.gz RANPANQAIJPGAZ-JXFKEZNVSA-N 1 0 392.528 4.267 20 30 GIEDRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000572052793 823274895 /nfs/dbraw/zinc/27/48/95/823274895.db2.gz JCULLAZHERUKEF-UHFFFAOYSA-N 1 0 396.560 4.446 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000176715728 823275553 /nfs/dbraw/zinc/27/55/53/823275553.db2.gz CGDCDJZXUSAFBA-NHYWBVRUSA-N 1 0 379.407 4.095 20 30 GIEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000572068449 823277259 /nfs/dbraw/zinc/27/72/59/823277259.db2.gz XFYXDBWEQXXVIY-UHFFFAOYSA-N 1 0 378.501 4.029 20 30 GIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1 ZINC000007449747 817844187 /nfs/dbraw/zinc/84/41/87/817844187.db2.gz GYUUKVZSZKLGAD-UHFFFAOYSA-N 1 0 390.487 4.079 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)Nc2ccccc2)c1 ZINC000007611294 817879208 /nfs/dbraw/zinc/87/92/08/817879208.db2.gz DPWSOGKXIWNDDZ-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000122086904 823304454 /nfs/dbraw/zinc/30/44/54/823304454.db2.gz ZDSCMEXVBOAXPU-UHFFFAOYSA-O 1 0 379.908 4.404 20 30 GIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000122317089 823337037 /nfs/dbraw/zinc/33/70/37/823337037.db2.gz CJAUZDRHJIRHBJ-VGOFRKELSA-N 1 0 377.488 4.153 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000572493343 823349137 /nfs/dbraw/zinc/34/91/37/823349137.db2.gz OGKOUISVRYSSOM-KXBFYZLASA-N 1 0 386.565 4.323 20 30 GIEDRO C#CCOc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000057980107 823352604 /nfs/dbraw/zinc/35/26/04/823352604.db2.gz IDZQJCOILKQMKN-UHFFFAOYSA-N 1 0 394.478 4.236 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000057967567 823351289 /nfs/dbraw/zinc/35/12/89/823351289.db2.gz WVEAJEGNXJUFAN-IBGZPJMESA-N 1 0 396.531 4.338 20 30 GIEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000572565675 823362070 /nfs/dbraw/zinc/36/20/70/823362070.db2.gz CXTSWHVZXIEYNZ-YLJYHZDGSA-N 1 0 395.469 4.061 20 30 GIEDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)n(-c2ccccc2)n1 ZINC000122488735 823362135 /nfs/dbraw/zinc/36/21/35/823362135.db2.gz VEJCAQKVDKJRLH-IBGZPJMESA-N 1 0 387.531 4.251 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000022197826 818782101 /nfs/dbraw/zinc/78/21/01/818782101.db2.gz VBQKVGTWOOQIQO-UHFFFAOYSA-N 1 0 393.556 4.392 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000022686346 818843703 /nfs/dbraw/zinc/84/37/03/818843703.db2.gz QXNGPWBOHIRULU-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022687997 818844487 /nfs/dbraw/zinc/84/44/87/818844487.db2.gz SRDRCFUBQIUWNS-UHFFFAOYSA-O 1 0 385.578 4.246 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460374741 823368536 /nfs/dbraw/zinc/36/85/36/823368536.db2.gz MLMWANFXBBXZQN-NRFANRHFSA-N 1 0 397.542 4.039 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3Br)CC2)cc1 ZINC000022850318 818867120 /nfs/dbraw/zinc/86/71/20/818867120.db2.gz IMGLPVKHGYWZET-UHFFFAOYSA-N 1 0 384.321 4.029 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022850336 818867433 /nfs/dbraw/zinc/86/74/33/818867433.db2.gz FDPGNKRLBUDGJI-UHFFFAOYSA-N 1 0 388.540 4.390 20 30 GIEDRO COc1cc(Br)ccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000189185295 823371917 /nfs/dbraw/zinc/37/19/17/823371917.db2.gz OYMVWPBYGRJLKW-UHFFFAOYSA-N 1 0 389.293 4.430 20 30 GIEDRO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177115125 823374630 /nfs/dbraw/zinc/37/46/30/823374630.db2.gz LZXQKGARBPHTJY-UHFFFAOYSA-N 1 0 388.433 4.281 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccccc1 ZINC000024565889 819071973 /nfs/dbraw/zinc/07/19/73/819071973.db2.gz RWJKDRQCEIAQAP-UHFFFAOYSA-O 1 0 389.500 4.481 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000058452923 823393710 /nfs/dbraw/zinc/39/37/10/823393710.db2.gz OXIGSASKPXKDPL-FQEVSTJZSA-N 1 0 382.895 4.479 20 30 GIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000189391913 823407200 /nfs/dbraw/zinc/40/72/00/823407200.db2.gz UJPINYAQILDWSF-GFCCVEGCSA-N 1 0 381.398 4.253 20 30 GIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460544743 823426364 /nfs/dbraw/zinc/42/63/64/823426364.db2.gz PIDHVWXCXNDNQS-IFMALSPDSA-N 1 0 393.579 4.093 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460547180 823427343 /nfs/dbraw/zinc/42/73/43/823427343.db2.gz WYNWWIAWIOGYRQ-FQEVSTJZSA-N 1 0 397.542 4.423 20 30 GIEDRO C=CCC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000189524804 823437124 /nfs/dbraw/zinc/43/71/24/823437124.db2.gz WTXFTNOWDRIGKB-XMMPIXPASA-N 1 0 392.543 4.010 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460571463 823438713 /nfs/dbraw/zinc/43/87/13/823438713.db2.gz HUIMGMPAUWGBFT-MJGOQNOKSA-N 1 0 399.970 4.161 20 30 GIEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460580075 823442942 /nfs/dbraw/zinc/44/29/42/823442942.db2.gz VINPJHRJLOCCLB-LJQANCHMSA-N 1 0 394.567 4.032 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000026135045 820063513 /nfs/dbraw/zinc/06/35/13/820063513.db2.gz LMORLIXSHJOTAA-QHCPKHFHSA-N 1 0 385.467 4.099 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000027183625 820207061 /nfs/dbraw/zinc/20/70/61/820207061.db2.gz JNJULACTRYYTEY-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)c1 ZINC000027199838 820209195 /nfs/dbraw/zinc/20/91/95/820209195.db2.gz KKZTVARAIYDXDJ-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123098387 823462013 /nfs/dbraw/zinc/46/20/13/823462013.db2.gz ITULIBGLKAZGMT-UHFFFAOYSA-N 1 0 387.524 4.249 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1cccc(CO)c1 ZINC000027323310 820224150 /nfs/dbraw/zinc/22/41/50/820224150.db2.gz AMZFTQBBVWSDCV-UHFFFAOYSA-O 1 0 399.580 4.029 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC2CCCCC2)c1 ZINC000027327907 820224784 /nfs/dbraw/zinc/22/47/84/820224784.db2.gz RRZVCWFGCYWUMT-UHFFFAOYSA-O 1 0 395.548 4.079 20 30 GIEDRO N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027345196 820228338 /nfs/dbraw/zinc/22/83/38/820228338.db2.gz APQUMWHLRIEUJJ-NRFANRHFSA-N 1 0 381.907 4.098 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2CCCCC2)c1 ZINC000027460927 820247511 /nfs/dbraw/zinc/24/75/11/820247511.db2.gz ODAUKWOKQDFFCM-UHFFFAOYSA-O 1 0 398.508 4.052 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@H]2CCCC[C@@H]2C)[n+]2ccccc2)c1 ZINC000027485339 820251093 /nfs/dbraw/zinc/25/10/93/820251093.db2.gz IEMRZXKPTMIURL-LPHOPBHVSA-O 1 0 383.537 4.090 20 30 GIEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000027486574 820251656 /nfs/dbraw/zinc/25/16/56/820251656.db2.gz GMTKAZIDNDSLER-RDTXWAMCSA-O 1 0 389.491 4.359 20 30 GIEDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027738431 820281694 /nfs/dbraw/zinc/28/16/94/820281694.db2.gz VAJCEKGCFZVBCL-UHFFFAOYSA-N 1 0 392.286 4.334 20 30 GIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)n1 ZINC000573254561 823471523 /nfs/dbraw/zinc/47/15/23/823471523.db2.gz MNNSEZGZQGKETI-UHFFFAOYSA-N 1 0 382.316 4.160 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1Cl ZINC000029754500 820511334 /nfs/dbraw/zinc/51/13/34/820511334.db2.gz HYIIZLNQFKWORF-OXJNMPFZSA-N 1 0 399.922 4.178 20 30 GIEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000177553836 823489492 /nfs/dbraw/zinc/48/94/92/823489492.db2.gz JWYIZACEDCJICH-UXHICEINSA-N 1 0 393.556 4.453 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000031121657 820746163 /nfs/dbraw/zinc/74/61/63/820746163.db2.gz MIVPXYKRUNZPEI-LJQANCHMSA-N 1 0 390.531 4.351 20 30 GIEDRO CC(C)(C)c1ccc(N2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000123427026 823508169 /nfs/dbraw/zinc/50/81/69/823508169.db2.gz KFAJKMDWJWYJCX-UHFFFAOYSA-N 1 0 387.531 4.262 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460782927 823511247 /nfs/dbraw/zinc/51/12/47/823511247.db2.gz CEHYKRJAJPOSCI-XLIONFOSSA-N 1 0 399.970 4.161 20 30 GIEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032737369 821001362 /nfs/dbraw/zinc/00/13/62/821001362.db2.gz PJRQIEPGBKYILG-OALUTQOASA-N 1 0 391.515 4.130 20 30 GIEDRO CC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469415 823531550 /nfs/dbraw/zinc/53/15/50/823531550.db2.gz GWRPZPKWHUCGKK-GOSISDBHSA-N 1 0 379.504 4.045 20 30 GIEDRO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469536 823531771 /nfs/dbraw/zinc/53/17/71/823531771.db2.gz QOBHNRMRVCQMJZ-QZTJIDSGSA-N 1 0 379.504 4.169 20 30 GIEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177860803 823537752 /nfs/dbraw/zinc/53/77/52/823537752.db2.gz PRHCPAKVEWNVFX-GFCCVEGCSA-N 1 0 395.356 4.103 20 30 GIEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123786450 823540678 /nfs/dbraw/zinc/54/06/78/823540678.db2.gz XXSQRMAIOYKVQQ-OXQOHEQNSA-N 1 0 385.870 4.082 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043522805 821421967 /nfs/dbraw/zinc/42/19/67/821421967.db2.gz QGLFVJWMMSQBNC-UHFFFAOYSA-N 1 0 398.576 4.419 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)ccc1OC ZINC000180815565 821475691 /nfs/dbraw/zinc/47/56/91/821475691.db2.gz TVAVQPFCZAYVCP-DNVCBOLYSA-N 1 0 399.466 4.022 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000043993330 821499294 /nfs/dbraw/zinc/49/92/94/821499294.db2.gz QXCUNHAUDBOGHI-QGZVFWFLSA-N 1 0 380.492 4.162 20 30 GIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C3)cs1 ZINC000180880398 821510000 /nfs/dbraw/zinc/51/00/00/821510000.db2.gz CWBBNLXDMRFCGZ-SFHVURJKSA-N 1 0 381.526 4.143 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180893998 821520494 /nfs/dbraw/zinc/52/04/94/821520494.db2.gz WRBZYPKDYFVMNI-ZWKOTPCHSA-N 1 0 376.504 4.130 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000180905548 821528303 /nfs/dbraw/zinc/52/83/03/821528303.db2.gz IMGGXIOJDXAAJE-IBGZPJMESA-N 1 0 384.483 4.346 20 30 GIEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946525 821551793 /nfs/dbraw/zinc/55/17/93/821551793.db2.gz BRRPMNBOAXJPDZ-FQEVSTJZSA-N 1 0 393.936 4.015 20 30 GIEDRO COc1ccc(C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000181154148 821667196 /nfs/dbraw/zinc/66/71/96/821667196.db2.gz MNFVQYUNJAHUDG-FDDCHVKYSA-N 1 0 382.504 4.005 20 30 GIEDRO O=C1Nc2ccccc2C12CCC([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000181214022 821700920 /nfs/dbraw/zinc/70/09/20/821700920.db2.gz OPFQDMKEYUKCSE-UHFFFAOYSA-N 1 0 398.428 4.479 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000181388540 821800337 /nfs/dbraw/zinc/80/03/37/821800337.db2.gz WPNQRAIHABTAQU-JOCHJYFZSA-N 1 0 394.588 4.011 20 30 GIEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000181397080 821805636 /nfs/dbraw/zinc/80/56/36/821805636.db2.gz WTENTQKNPIHTCB-GCJKJVERSA-N 1 0 379.504 4.085 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000181429798 821822472 /nfs/dbraw/zinc/82/24/72/821822472.db2.gz VSNZLFHQMIYMFD-MRXNPFEDSA-N 1 0 385.458 4.475 20 30 GIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000181538097 821872267 /nfs/dbraw/zinc/87/22/67/821872267.db2.gz OSLAODJHVGPSFP-CVDCTZTESA-N 1 0 393.531 4.475 20 30 GIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000181648039 821921543 /nfs/dbraw/zinc/92/15/43/821921543.db2.gz UQCYQYNXBXRHBB-MRXNPFEDSA-N 1 0 379.508 4.166 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181734775 821968407 /nfs/dbraw/zinc/96/84/07/821968407.db2.gz SYCWUPYIHDRETP-SJLPKXTDSA-N 1 0 385.458 4.182 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)cc1 ZINC000181823600 822007305 /nfs/dbraw/zinc/00/73/05/822007305.db2.gz BNAMXSAVOVDZTC-OAQYLSRUSA-N 1 0 379.504 4.300 20 30 GIEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000181996494 822057307 /nfs/dbraw/zinc/05/73/07/822057307.db2.gz NRWWKPRIHLKGGC-KRWDZBQOSA-N 1 0 383.923 4.233 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136598 822111212 /nfs/dbraw/zinc/11/12/12/822111212.db2.gz CLMXYSFSGRWPGS-QRWLVFNGSA-N 1 0 381.476 4.185 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000182459968 822251065 /nfs/dbraw/zinc/25/10/65/822251065.db2.gz PBLZZZYBKNQEJO-NWDGAFQWSA-N 1 0 379.382 4.465 20 30 GIEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000182567036 822305920 /nfs/dbraw/zinc/30/59/20/822305920.db2.gz VJZRNAQLTPHBTQ-IBGZPJMESA-N 1 0 378.520 4.212 20 30 GIEDRO C=CC[NH+]1CCC(N[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000182640314 822335126 /nfs/dbraw/zinc/33/51/26/822335126.db2.gz FZSQFRJDBLNYAQ-IBGZPJMESA-N 1 0 375.310 4.372 20 30 GIEDRO Fc1ccc(C#CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000178513211 822386796 /nfs/dbraw/zinc/38/67/96/822386796.db2.gz QBHOYKJQEQWJIC-UHFFFAOYSA-N 1 0 388.280 4.235 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c(C)c1)C(=S)NCCSC ZINC000178904392 822420484 /nfs/dbraw/zinc/42/04/84/822420484.db2.gz YUMMBRBQKYXVDH-UHFFFAOYSA-O 1 0 387.594 4.045 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)ccc1C)C(=S)NCCSC ZINC000178904351 822420532 /nfs/dbraw/zinc/42/05/32/822420532.db2.gz CTWQDTWZTTVYNP-UHFFFAOYSA-O 1 0 387.594 4.045 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110168 822425914 /nfs/dbraw/zinc/42/59/14/822425914.db2.gz QLYAUQPJLIEXCQ-UUOWRZLLSA-N 1 0 396.494 4.466 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454259029 822445057 /nfs/dbraw/zinc/44/50/57/822445057.db2.gz CZAFKIYZYRGZAC-KRWDZBQOSA-N 1 0 394.494 4.071 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226439 822452508 /nfs/dbraw/zinc/45/25/08/822452508.db2.gz MXZQNLDLYDGUGK-OAQYLSRUSA-N 1 0 396.922 4.190 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000454392380 822467728 /nfs/dbraw/zinc/46/77/28/822467728.db2.gz VJKBIDPNHZVKSI-QFIPXVFZSA-N 1 0 375.516 4.080 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183398579 822468274 /nfs/dbraw/zinc/46/82/74/822468274.db2.gz CBSQDHOGKQWXJP-UTKZUKDTSA-N 1 0 393.556 4.488 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179363276 822471575 /nfs/dbraw/zinc/47/15/75/822471575.db2.gz ZEUPAYYMEAEWKM-UHFFFAOYSA-N 1 0 394.519 4.417 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179365664 822472040 /nfs/dbraw/zinc/47/20/40/822472040.db2.gz XUDRAEMCYDNRSY-UHFFFAOYSA-N 1 0 377.492 4.032 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000183534771 822491491 /nfs/dbraw/zinc/49/14/91/822491491.db2.gz LSECPHZNADGTRQ-IAGOWNOFSA-N 1 0 384.524 4.120 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000183534782 822491512 /nfs/dbraw/zinc/49/15/12/822491512.db2.gz LSECPHZNADGTRQ-IRXDYDNUSA-N 1 0 384.524 4.120 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000454535371 822492825 /nfs/dbraw/zinc/49/28/25/822492825.db2.gz ADBYEGZZRAVIPY-OAHLLOKOSA-N 1 0 384.867 4.077 20 30 GIEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 ZINC000454596917 822503539 /nfs/dbraw/zinc/50/35/39/822503539.db2.gz DMCLVFDIGYSOKO-UHFFFAOYSA-N 1 0 378.476 4.346 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC(F)F)cc1 ZINC000179606857 822511577 /nfs/dbraw/zinc/51/15/77/822511577.db2.gz CXPYYARFPWFOEC-NSHDSACASA-N 1 0 379.794 4.102 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000183724579 822517328 /nfs/dbraw/zinc/51/73/28/822517328.db2.gz VRGCXWDXNZMINB-CYBMUJFWSA-N 1 0 394.500 4.489 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183727856 822517476 /nfs/dbraw/zinc/51/74/76/822517476.db2.gz JGDORNITJQOJJO-DNVCBOLYSA-N 1 0 393.512 4.081 20 30 GIEDRO C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454725003 822523965 /nfs/dbraw/zinc/52/39/65/822523965.db2.gz UUMHOIMWKRJCER-OFNKIYASSA-N 1 0 390.531 4.195 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000046886794 822526872 /nfs/dbraw/zinc/52/68/72/822526872.db2.gz VKZZVLXGAPTXTO-FQEVSTJZSA-N 1 0 396.560 4.234 20 30 GIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1)C(C)C ZINC000183963711 822554648 /nfs/dbraw/zinc/55/46/48/822554648.db2.gz SXANJFBJRKEAOX-XMMPIXPASA-N 1 0 375.516 4.098 20 30 GIEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000179843438 822564657 /nfs/dbraw/zinc/56/46/57/822564657.db2.gz GSAOJNFKKNCYLI-VQIMIIECSA-N 1 0 376.460 4.051 20 30 GIEDRO CCOCc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)ccc1OC ZINC000179842791 822564757 /nfs/dbraw/zinc/56/47/57/822564757.db2.gz OKUACTMBWQMTQJ-UHFFFAOYSA-N 1 0 380.488 4.147 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000455000994 822568258 /nfs/dbraw/zinc/56/82/58/822568258.db2.gz YXWKMQRUBNJROC-INIZCTEOSA-N 1 0 382.895 4.197 20 30 GIEDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179874999 822569511 /nfs/dbraw/zinc/56/95/11/822569511.db2.gz BYTPMLTYDFVFLG-UHFFFAOYSA-N 1 0 390.531 4.241 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000455010166 822570023 /nfs/dbraw/zinc/57/00/23/822570023.db2.gz FCDCGMRHLJJVCW-UHFFFAOYSA-N 1 0 389.543 4.155 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969685 822587669 /nfs/dbraw/zinc/58/76/69/822587669.db2.gz POEPJSDBJKRRAY-KUHUBIRLSA-N 1 0 385.414 4.006 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180016386 822597302 /nfs/dbraw/zinc/59/73/02/822597302.db2.gz SJGLTESNKGWYRN-QUCCMNQESA-N 1 0 392.503 4.106 20 30 GIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180022717 822598491 /nfs/dbraw/zinc/59/84/91/822598491.db2.gz WBQQDNSYPAWBAZ-GOSISDBHSA-N 1 0 392.503 4.072 20 30 GIEDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1Cl ZINC000180030768 822600773 /nfs/dbraw/zinc/60/07/73/822600773.db2.gz QNIIQYDJZVVJGU-OAQYLSRUSA-N 1 0 393.922 4.005 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180052011 822604836 /nfs/dbraw/zinc/60/48/36/822604836.db2.gz IRJVVAOJZFMAJK-UHFFFAOYSA-N 1 0 388.368 4.406 20 30 GIEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCCC1 ZINC000180058948 822606074 /nfs/dbraw/zinc/60/60/74/822606074.db2.gz NQKWRCVHULAECP-GOSISDBHSA-N 1 0 379.426 4.089 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180067993 822608473 /nfs/dbraw/zinc/60/84/73/822608473.db2.gz XECITVITSPEFHA-HXUWFJFHSA-N 1 0 386.455 4.025 20 30 GIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C2)CC1 ZINC000455227938 822612784 /nfs/dbraw/zinc/61/27/84/822612784.db2.gz WSJLZUQWHYUQNC-QFIPXVFZSA-N 1 0 381.564 4.097 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000184320004 822614316 /nfs/dbraw/zinc/61/43/16/822614316.db2.gz BKKUBCHBWMMSOR-CABCVRRESA-N 1 0 377.444 4.299 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N(CCC#N)c3ccccc3)c(C)c2c1 ZINC000184332597 822617092 /nfs/dbraw/zinc/61/70/92/822617092.db2.gz UMGIWGZIBJACNA-KRWDZBQOSA-N 1 0 391.471 4.347 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000184355032 822621154 /nfs/dbraw/zinc/62/11/54/822621154.db2.gz NZJXTMRPPQSJMO-MRXNPFEDSA-N 1 0 398.532 4.073 20 30 GIEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000180156457 822628843 /nfs/dbraw/zinc/62/88/43/822628843.db2.gz CMDNMZLLBMNJEP-DEOSSOPVSA-N 1 0 399.542 4.194 20 30 GIEDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(OCC#N)cc1 ZINC000180160345 822629602 /nfs/dbraw/zinc/62/96/02/822629602.db2.gz BXMKZUAWSLSSJS-IBGZPJMESA-N 1 0 390.531 4.294 20 30 GIEDRO CC[C@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000184434894 822634537 /nfs/dbraw/zinc/63/45/37/822634537.db2.gz VSWTWJVZGGPJNC-ICSRJNTNSA-N 1 0 392.503 4.106 20 30 GIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184548046 822655261 /nfs/dbraw/zinc/65/52/61/822655261.db2.gz BYYRALQFGBBRDB-CVEARBPZSA-N 1 0 384.549 4.086 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180425715 822679529 /nfs/dbraw/zinc/67/95/29/822679529.db2.gz SZLZEAFBPLALIW-CABCVRRESA-N 1 0 398.488 4.136 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000184756372 822686615 /nfs/dbraw/zinc/68/66/15/822686615.db2.gz XRBPGRPSDHDQFN-JSGCOSHPSA-N 1 0 399.564 4.046 20 30 GIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455703872 822707425 /nfs/dbraw/zinc/70/74/25/822707425.db2.gz NDMQJNFPDQNTFU-UHFFFAOYSA-N 1 0 376.913 4.063 20 30 GIEDRO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000455705956 822708182 /nfs/dbraw/zinc/70/81/82/822708182.db2.gz PIAJGBIDWIRRMO-SFHVURJKSA-N 1 0 382.895 4.192 20 30 GIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455709853 822709425 /nfs/dbraw/zinc/70/94/25/822709425.db2.gz VRNTVYFQSRHGNC-IYBDPMFKSA-N 1 0 376.932 4.286 20 30 GIEDRO C=CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050059262 822716669 /nfs/dbraw/zinc/71/66/69/822716669.db2.gz IZJZSCVNFFGYSP-QGZVFWFLSA-N 1 0 385.533 4.347 20 30 GIEDRO N#CCc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)c1 ZINC000455744282 822718425 /nfs/dbraw/zinc/71/84/25/822718425.db2.gz FDMWGQJKWJWBGC-FQEVSTJZSA-N 1 0 382.895 4.365 20 30 GIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455834303 822733749 /nfs/dbraw/zinc/73/37/49/822733749.db2.gz BAIAEYLRFPUFQY-QHCPKHFHSA-N 1 0 389.543 4.107 20 30 GIEDRO CCSCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000455867596 822739606 /nfs/dbraw/zinc/73/96/06/822739606.db2.gz UUSYHYCFLDXCGI-UHFFFAOYSA-N 1 0 396.560 4.407 20 30 GIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCSCc3ccccc3C#N)ccc21 ZINC000455905396 822746082 /nfs/dbraw/zinc/74/60/82/822746082.db2.gz HLUXPMRQEQVMHG-OAQYLSRUSA-N 1 0 394.544 4.162 20 30 GIEDRO C[NH+]1CCC(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000455948655 822756359 /nfs/dbraw/zinc/75/63/59/822756359.db2.gz UMNOFJBXSNRCLL-UHFFFAOYSA-N 1 0 380.517 4.173 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cc1C#N ZINC000174310047 822768992 /nfs/dbraw/zinc/76/89/92/822768992.db2.gz TYWUUBWGIIUBNG-UHFFFAOYSA-N 1 0 377.488 4.375 20 30 GIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000174346916 822775911 /nfs/dbraw/zinc/77/59/11/822775911.db2.gz OSMSQEUOPJUJIB-LJQANCHMSA-N 1 0 377.960 4.411 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000174481192 822795407 /nfs/dbraw/zinc/79/54/07/822795407.db2.gz JVRJCNJYXVQOJG-INIZCTEOSA-N 1 0 397.906 4.418 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174494653 822796516 /nfs/dbraw/zinc/79/65/16/822796516.db2.gz OWPBXSWQEUIWJC-UHFFFAOYSA-N 1 0 394.450 4.262 20 30 GIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000052464001 822800580 /nfs/dbraw/zinc/80/05/80/822800580.db2.gz TWMXMGDQEGAQOR-SBUREZEXSA-N 1 0 380.536 4.099 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000174579501 822807596 /nfs/dbraw/zinc/80/75/96/822807596.db2.gz BXAYGTOWVDMTHP-DYESRHJHSA-N 1 0 395.503 4.333 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000174657281 822819299 /nfs/dbraw/zinc/81/92/99/822819299.db2.gz PUFMCYSQLWATPR-INIZCTEOSA-N 1 0 381.476 4.035 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1 ZINC000174707614 822826386 /nfs/dbraw/zinc/82/63/86/822826386.db2.gz BXZKSWCKNLBLKX-UHFFFAOYSA-N 1 0 394.924 4.436 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000174776196 822835529 /nfs/dbraw/zinc/83/55/29/822835529.db2.gz QQIRCIDYODEJJZ-UHFFFAOYSA-N 1 0 381.442 4.034 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000174793945 822837734 /nfs/dbraw/zinc/83/77/34/822837734.db2.gz SKZSPYQCVAMZIH-RBUKOAKNSA-N 1 0 390.487 4.359 20 30 GIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000174843678 822845283 /nfs/dbraw/zinc/84/52/83/822845283.db2.gz YVCOYISKATYNOS-UHFFFAOYSA-N 1 0 384.402 4.066 20 30 GIEDRO N#Cc1ccc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000457197776 822860348 /nfs/dbraw/zinc/86/03/48/822860348.db2.gz VWUMNGMSHFGIMD-QFIPXVFZSA-N 1 0 391.515 4.448 20 30 GIEDRO C=C[C@H](CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186269085 822867557 /nfs/dbraw/zinc/86/75/57/822867557.db2.gz REHWVCLFNJVJQX-GOSISDBHSA-N 1 0 379.504 4.184 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000055009731 822930537 /nfs/dbraw/zinc/93/05/37/822930537.db2.gz RAOUMBILJWWQEP-UHFFFAOYSA-O 1 0 389.491 4.068 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055009775 822930548 /nfs/dbraw/zinc/93/05/48/822930548.db2.gz ZSNZFZZMQKYOSW-UHFFFAOYSA-O 1 0 384.569 4.100 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000186713570 822942889 /nfs/dbraw/zinc/94/28/89/822942889.db2.gz HOAUYQAZMMZXPY-XHDPSFHLSA-N 1 0 381.339 4.469 20 30 GIEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000569627733 822947118 /nfs/dbraw/zinc/94/71/18/822947118.db2.gz UIOQVUVETNJVOY-UHFFFAOYSA-N 1 0 387.959 4.019 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1ccc(C)cc1 ZINC000175381641 822952927 /nfs/dbraw/zinc/95/29/27/822952927.db2.gz IPSWBMHZNFPXQH-UHFFFAOYSA-O 1 0 391.557 4.012 20 30 GIEDRO CCSCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000055388380 822956585 /nfs/dbraw/zinc/95/65/85/822956585.db2.gz RRIGOQDWIUXUJH-UHFFFAOYSA-N 1 0 381.545 4.015 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cccc(C)c1)[n+]1cccc(C)c1 ZINC000186955043 822986170 /nfs/dbraw/zinc/98/61/70/822986170.db2.gz LDXDUQXKHLLSLI-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NC(C)C)cc1 ZINC000186959845 822987183 /nfs/dbraw/zinc/98/71/83/822987183.db2.gz IADTUOIYUISROI-UHFFFAOYSA-O 1 0 388.557 4.419 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186961218 822987864 /nfs/dbraw/zinc/98/78/64/822987864.db2.gz BHVKIUGTSFDRBM-UHFFFAOYSA-O 1 0 388.557 4.205 20 30 GIEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1 ZINC000175518688 822989548 /nfs/dbraw/zinc/98/95/48/822989548.db2.gz WQBVIRLZQRQIHO-DEOSSOPVSA-N 1 0 391.515 4.300 20 30 GIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000569978983 822992464 /nfs/dbraw/zinc/99/24/64/822992464.db2.gz OSDSERSUAGBGIR-HXUWFJFHSA-N 1 0 394.567 4.009 20 30 GIEDRO N#CCc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000570039857 822999853 /nfs/dbraw/zinc/99/98/53/822999853.db2.gz CIBPLJQMBXXIHM-UHFFFAOYSA-N 1 0 390.531 4.128 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175617895 823007457 /nfs/dbraw/zinc/00/74/57/823007457.db2.gz WKHGQWKMRRDOTR-IBGZPJMESA-N 1 0 388.471 4.137 20 30 GIEDRO C[N@H+]([C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570123984 823007885 /nfs/dbraw/zinc/00/78/85/823007885.db2.gz PRTRHPWHIKZBAN-SOLBZPMBSA-N 1 0 379.426 4.107 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187162732 823019467 /nfs/dbraw/zinc/01/94/67/823019467.db2.gz DSYFYDSEJWAXIV-XXBNENTESA-N 1 0 387.527 4.101 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175708291 823024722 /nfs/dbraw/zinc/02/47/22/823024722.db2.gz GEQIBWPPWSSVOA-UHFFFAOYSA-N 1 0 397.569 4.412 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175764157 823034301 /nfs/dbraw/zinc/03/43/01/823034301.db2.gz SEGFBUHJHAMCOV-APWZRJJASA-N 1 0 379.529 4.264 20 30 GIEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570437391 823038195 /nfs/dbraw/zinc/03/81/95/823038195.db2.gz VNTJWCJMYUKWPB-XXBNENTESA-N 1 0 375.516 4.196 20 30 GIEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570437388 823038368 /nfs/dbraw/zinc/03/83/68/823038368.db2.gz VNTJWCJMYUKWPB-AUSIDOKSSA-N 1 0 375.516 4.196 20 30 GIEDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000187326776 823043958 /nfs/dbraw/zinc/04/39/58/823043958.db2.gz ULCAXCDAINXUPM-ZDUSSCGKSA-N 1 0 375.266 4.216 20 30 GIEDRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177895696 823543159 /nfs/dbraw/zinc/54/31/59/823543159.db2.gz RDWAYDWOGUQALC-UHFFFAOYSA-N 1 0 390.531 4.106 20 30 GIEDRO CC(C)CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060575786 823543987 /nfs/dbraw/zinc/54/39/87/823543987.db2.gz KVIIPRMIMQIURF-UHFFFAOYSA-N 1 0 393.531 4.187 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000177907710 823544720 /nfs/dbraw/zinc/54/47/20/823544720.db2.gz QINWVWTVBKMLDL-XMMPIXPASA-N 1 0 380.532 4.228 20 30 GIEDRO CC[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+](CC)CC ZINC000460978833 823554967 /nfs/dbraw/zinc/55/49/67/823554967.db2.gz KRPJUVXETRWDLF-QFIPXVFZSA-N 1 0 379.504 4.391 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123965370 823556165 /nfs/dbraw/zinc/55/61/65/823556165.db2.gz HXOAFHXBBGTIOI-YJBOKZPZSA-N 1 0 377.891 4.062 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)ccc1OC ZINC000060949638 823568835 /nfs/dbraw/zinc/56/88/35/823568835.db2.gz RUGDNGNWHLJZFQ-UHFFFAOYSA-N 1 0 394.515 4.176 20 30 GIEDRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)sc1C ZINC000411392835 823569440 /nfs/dbraw/zinc/56/94/40/823569440.db2.gz VHVUAJDXGWQYAN-UHFFFAOYSA-N 1 0 376.913 4.139 20 30 GIEDRO COc1ccccc1OCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060959615 823569650 /nfs/dbraw/zinc/56/96/50/823569650.db2.gz NYTAAEAYTHJYHJ-UHFFFAOYSA-N 1 0 388.467 4.314 20 30 GIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCC[C@H](C)C1 ZINC000060976500 823570693 /nfs/dbraw/zinc/57/06/93/823570693.db2.gz GDICQXZHBRTWQE-VQTJNVASSA-N 1 0 377.532 4.347 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(O)c1 ZINC000411450815 823575932 /nfs/dbraw/zinc/57/59/32/823575932.db2.gz GRNBDRDQHIBTRJ-KBPBESRZSA-N 1 0 383.517 4.130 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000411460703 823577414 /nfs/dbraw/zinc/57/74/14/823577414.db2.gz SBXJLLMQUYKYMB-AWEZNQCLSA-N 1 0 391.393 4.179 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000461110601 823579328 /nfs/dbraw/zinc/57/93/28/823579328.db2.gz GLUUTCMFKOAOIQ-UHFFFAOYSA-N 1 0 380.454 4.284 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000190604217 823590613 /nfs/dbraw/zinc/59/06/13/823590613.db2.gz KQGNWMMWRRPTGS-IFXJQAMLSA-N 1 0 387.405 4.029 20 30 GIEDRO CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190612311 823591582 /nfs/dbraw/zinc/59/15/82/823591582.db2.gz BECIWYXMOAYPRQ-UZLBHIALSA-N 1 0 379.529 4.122 20 30 GIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190621528 823592729 /nfs/dbraw/zinc/59/27/29/823592729.db2.gz UBLMKTCHTIWWOA-AVRDEDQJSA-N 1 0 375.516 4.005 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628789 823593381 /nfs/dbraw/zinc/59/33/81/823593381.db2.gz RGBISQCOFUTGMO-JTSKRJEESA-N 1 0 391.515 4.187 20 30 GIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503810 823600143 /nfs/dbraw/zinc/60/01/43/823600143.db2.gz LTOCYMOTVWDEEL-LJQANCHMSA-N 1 0 391.515 4.018 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000190706208 823600427 /nfs/dbraw/zinc/60/04/27/823600427.db2.gz HJWAFJLWEZRIMO-UHFFFAOYSA-N 1 0 393.409 4.336 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000124538451 823604550 /nfs/dbraw/zinc/60/45/50/823604550.db2.gz WBIUNKODZVKZFM-DEOSSOPVSA-N 1 0 399.494 4.025 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461256328 823605999 /nfs/dbraw/zinc/60/59/99/823605999.db2.gz HWFLFJYUNIDYIS-INIZCTEOSA-N 1 0 384.442 4.217 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000461269083 823609481 /nfs/dbraw/zinc/60/94/81/823609481.db2.gz WVQSQGGCYCFZAY-QFIPXVFZSA-N 1 0 376.504 4.248 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1C#N ZINC000190949144 823629091 /nfs/dbraw/zinc/62/90/91/823629091.db2.gz OCSQQLHEWYTRJF-UHFFFAOYSA-N 1 0 381.483 4.098 20 30 GIEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461395737 823629168 /nfs/dbraw/zinc/62/91/68/823629168.db2.gz WZPJJMNAYVDNFU-UHFFFAOYSA-N 1 0 378.426 4.366 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000461455046 823641090 /nfs/dbraw/zinc/64/10/90/823641090.db2.gz BFTKZZPEYRUWOX-UHFFFAOYSA-N 1 0 376.891 4.472 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000461461863 823642382 /nfs/dbraw/zinc/64/23/82/823642382.db2.gz FQBPOIAZCSHZBN-UHFFFAOYSA-N 1 0 376.891 4.258 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000063549418 823678825 /nfs/dbraw/zinc/67/88/25/823678825.db2.gz VGUQSHDRNAUTEJ-LJQANCHMSA-N 1 0 398.304 4.486 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC3CCCCC3)CC2)cc1Cl ZINC000125501379 823681070 /nfs/dbraw/zinc/68/10/70/823681070.db2.gz LBRMMNPHBFXAAY-UHFFFAOYSA-N 1 0 389.927 4.354 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000191421532 823683398 /nfs/dbraw/zinc/68/33/98/823683398.db2.gz IUAZFSDSWICAPM-FGZHOGPDSA-N 1 0 399.579 4.428 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191470843 823688625 /nfs/dbraw/zinc/68/86/25/823688625.db2.gz MQGYHOOGLPMAKC-SFHVURJKSA-N 1 0 385.552 4.256 20 30 GIEDRO COc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 ZINC000063750758 823693589 /nfs/dbraw/zinc/69/35/89/823693589.db2.gz SNSNLESVEKMLFM-XMMPIXPASA-N 1 0 391.515 4.045 20 30 GIEDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000461905534 823747978 /nfs/dbraw/zinc/74/79/78/823747978.db2.gz BAVVVUJOJWLGRS-IBGZPJMESA-N 1 0 375.516 4.210 20 30 GIEDRO N#CCCN(C(=O)C[N@@H+](CCc1ccc(F)cc1)C1CC1)c1cccc(Cl)c1 ZINC000574579007 823770867 /nfs/dbraw/zinc/77/08/67/823770867.db2.gz SHNCHOSCADDBDX-UHFFFAOYSA-N 1 0 399.897 4.433 20 30 GIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc1OCCCC#N ZINC000064614604 823853133 /nfs/dbraw/zinc/85/31/33/823853133.db2.gz HJDPJJGROPPVOG-UHFFFAOYSA-N 1 0 396.487 4.174 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462192405 823863047 /nfs/dbraw/zinc/86/30/47/823863047.db2.gz BUBLMYHAYNTQLW-DENIHFKCSA-N 1 0 375.516 4.032 20 30 GIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000064738809 823876994 /nfs/dbraw/zinc/87/69/94/823876994.db2.gz XAWWISDLPQUYNA-UHFFFAOYSA-N 1 0 375.516 4.418 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000064743561 823877802 /nfs/dbraw/zinc/87/78/02/823877802.db2.gz KHNNLIARRQHJFH-GOSISDBHSA-N 1 0 398.532 4.223 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1scc(C)c1C#N ZINC000574986857 823879756 /nfs/dbraw/zinc/87/97/56/823879756.db2.gz JARRAFYVQIQGTM-UHFFFAOYSA-N 1 0 376.551 4.366 20 30 GIEDRO CC[NH+]1CCC(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000575020603 823889964 /nfs/dbraw/zinc/88/99/64/823889964.db2.gz XQKFSTYZXOMHBM-UHFFFAOYSA-N 1 0 397.906 4.466 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792829 823895684 /nfs/dbraw/zinc/89/56/84/823895684.db2.gz XNAIBURQUQDVEG-ZWKOTPCHSA-N 1 0 396.506 4.211 20 30 GIEDRO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000575039786 823897900 /nfs/dbraw/zinc/89/79/00/823897900.db2.gz DIOJHSHXCKTCNL-VJBMBRPKSA-N 1 0 392.543 4.424 20 30 GIEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000414133224 823916625 /nfs/dbraw/zinc/91/66/25/823916625.db2.gz GKMRCTWVEDNLQF-YJBOKZPZSA-N 1 0 388.309 4.024 20 30 GIEDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2=O)ccc1Br ZINC000462335315 823929094 /nfs/dbraw/zinc/92/90/94/823929094.db2.gz BINPCWRCGJTVFQ-KUHUBIRLSA-N 1 0 398.304 4.085 20 30 GIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)no1 ZINC000192340283 823952436 /nfs/dbraw/zinc/95/24/36/823952436.db2.gz VYIWROWUIFAAGX-UHFFFAOYSA-N 1 0 388.471 4.305 20 30 GIEDRO CC(C)[N@@H+]1CCc2nc(CNc3cccc(OC(F)(F)F)c3C#N)sc2C1 ZINC000414294793 823953275 /nfs/dbraw/zinc/95/32/75/823953275.db2.gz DVHTYFSSJGKGLL-UHFFFAOYSA-N 1 0 396.438 4.292 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192351662 823956160 /nfs/dbraw/zinc/95/61/60/823956160.db2.gz QNTDTTFFMJMNNP-YJBOKZPZSA-N 1 0 395.528 4.392 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c2ccccc21 ZINC000575504853 823974882 /nfs/dbraw/zinc/97/48/82/823974882.db2.gz OBVREPUPAXAYPI-WMZOPIPTSA-N 1 0 378.447 4.135 20 30 GIEDRO C=CCOc1ccccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000170849784 823989969 /nfs/dbraw/zinc/98/99/69/823989969.db2.gz MYXDPJUJHWWABY-UHFFFAOYSA-N 1 0 397.494 4.173 20 30 GIEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000126982568 823994516 /nfs/dbraw/zinc/99/45/16/823994516.db2.gz XLXZXSMNIAMKAC-MRXNPFEDSA-N 1 0 398.894 4.419 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCC(COC)CC2)cc1OC ZINC000414512933 823999052 /nfs/dbraw/zinc/99/90/52/823999052.db2.gz OEEKCRGHRGNAKM-UHFFFAOYSA-N 1 0 398.341 4.317 20 30 GIEDRO C[C@@H](NC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000170907496 824003501 /nfs/dbraw/zinc/00/35/01/824003501.db2.gz QARFDKDSWOLCDH-ABAIWWIYSA-N 1 0 391.302 4.085 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000170909122 824004028 /nfs/dbraw/zinc/00/40/28/824004028.db2.gz RQLATWHAAPTGAX-XMSQKQJNSA-N 1 0 397.519 4.379 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000127082595 824013828 /nfs/dbraw/zinc/01/38/28/824013828.db2.gz QRDQKISXUMUQAC-HXOBKFHXSA-N 1 0 385.467 4.195 20 30 GIEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cc1 ZINC000192509455 824015856 /nfs/dbraw/zinc/01/58/56/824015856.db2.gz JTRNWYBCKQIATM-QFIPXVFZSA-N 1 0 397.906 4.336 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1OC ZINC000414583778 824015965 /nfs/dbraw/zinc/01/59/65/824015965.db2.gz MFCMNYDCRJNSGL-UKRRQHHQSA-N 1 0 378.266 4.261 20 30 GIEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414902057 824047979 /nfs/dbraw/zinc/04/79/79/824047979.db2.gz JKWSSNOULXLIEX-SPYBWZPUSA-N 1 0 382.895 4.196 20 30 GIEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903048 824048126 /nfs/dbraw/zinc/04/81/26/824048126.db2.gz KYUVMHYWZQLHIL-PKOBYXMFSA-N 1 0 382.895 4.211 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2)cn1 ZINC000171063804 824053022 /nfs/dbraw/zinc/05/30/22/824053022.db2.gz QYDYKUBOJJNCMV-UHFFFAOYSA-O 1 0 392.504 4.045 20 30 GIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328607531 206231743 /nfs/dbraw/zinc/23/17/43/206231743.db2.gz WFTHDAWEHNOGSM-LERMDLETSA-N 1 0 385.471 4.118 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C(F)(F)F)C2)sc2c1CCCC2 ZINC000011218953 221113370 /nfs/dbraw/zinc/11/33/70/221113370.db2.gz BJKJHWAQGDCMBH-LBPRGKRZSA-N 1 0 385.455 4.101 20 30 GIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC ZINC001164702710 719824572 /nfs/dbraw/zinc/82/45/72/719824572.db2.gz SZVDAEKDDWSHSK-UTKZUKDTSA-N 1 0 375.944 4.392 20 30 GIEDRO COc1cc(C#N)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759972 721044530 /nfs/dbraw/zinc/04/45/30/721044530.db2.gz SCWXJKLDSACAEM-UHFFFAOYSA-N 1 0 390.531 4.153 20 30 GIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164775243 721303786 /nfs/dbraw/zinc/30/37/86/721303786.db2.gz UDTAFFIDCXYKQL-UHFFFAOYSA-N 1 0 384.886 4.130 20 30 GIEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)cc1C#N ZINC001165018763 721830817 /nfs/dbraw/zinc/83/08/17/721830817.db2.gz AEVDWKAVZFSIDB-SCWSEQNSSA-N 1 0 395.938 4.047 20 30 GIEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995500 722191954 /nfs/dbraw/zinc/19/19/54/722191954.db2.gz VFHOIUNOIGCDHF-HXUWFJFHSA-N 1 0 388.849 4.130 20 30 GIEDRO N#Cc1ccc2ccnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164993698 722198005 /nfs/dbraw/zinc/19/80/05/722198005.db2.gz HXMNHZJUMBYWLR-XMMPIXPASA-N 1 0 386.474 4.490 20 30 GIEDRO N#Cc1cc2c(nc1N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCCC2 ZINC001164996349 722207874 /nfs/dbraw/zinc/20/78/74/722207874.db2.gz UFPLTZJTYRFYJE-DEOSSOPVSA-N 1 0 390.506 4.216 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000187343657 823046541 /nfs/dbraw/zinc/04/65/41/823046541.db2.gz QJZIDSGYBCBQBD-QGZVFWFLSA-N 1 0 389.565 4.036 20 30 GIEDRO CC(C)(CCC#N)C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000187381018 823052959 /nfs/dbraw/zinc/05/29/59/823052959.db2.gz FPTMCWXIRRPEHY-UHFFFAOYSA-N 1 0 381.442 4.230 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120807923 823068285 /nfs/dbraw/zinc/06/82/85/823068285.db2.gz SRCFDTUDDQJQMS-NQIIRXRSSA-N 1 0 394.519 4.021 20 30 GIEDRO N#Cc1ccc(CSCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000056042514 823081441 /nfs/dbraw/zinc/08/14/41/823081441.db2.gz PDKCDYHHUBXOFZ-UHFFFAOYSA-N 1 0 393.556 4.459 20 30 GIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458801186 823087940 /nfs/dbraw/zinc/08/79/40/823087940.db2.gz MYUUALDTXIHIOK-JOCHJYFZSA-N 1 0 378.520 4.195 20 30 GIEDRO N#CCCC[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000458801823 823088049 /nfs/dbraw/zinc/08/80/49/823088049.db2.gz OBKIGTUUBGQDHE-JOCHJYFZSA-N 1 0 382.552 4.329 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803070 823088417 /nfs/dbraw/zinc/08/84/17/823088417.db2.gz QRMNNDINQAYDBH-QFIPXVFZSA-N 1 0 396.510 4.334 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175992518 823090481 /nfs/dbraw/zinc/09/04/81/823090481.db2.gz DPCOIMFYOZNZPJ-RXVVDRJESA-N 1 0 393.556 4.427 20 30 GIEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(SCC#N)c3)cc21 ZINC000175992962 823090619 /nfs/dbraw/zinc/09/06/19/823090619.db2.gz XUFYDAXHNRFACH-UHFFFAOYSA-N 1 0 378.501 4.071 20 30 GIEDRO N#CCSc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000175997623 823091766 /nfs/dbraw/zinc/09/17/66/823091766.db2.gz CGLRBSSXHAEDPR-UHFFFAOYSA-N 1 0 399.947 4.350 20 30 GIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056161999 823093280 /nfs/dbraw/zinc/09/32/80/823093280.db2.gz PKMCIJBVHWNTPK-CVEARBPZSA-N 1 0 381.476 4.033 20 30 GIEDRO C[NH+](C)C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855424 823098238 /nfs/dbraw/zinc/09/82/38/823098238.db2.gz YBMINXQIJYLYHG-NHCUHLMSSA-N 1 0 382.483 4.163 20 30 GIEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000570873827 823099935 /nfs/dbraw/zinc/09/99/35/823099935.db2.gz JVHKMQQOPFONMH-AWEZNQCLSA-N 1 0 378.369 4.203 20 30 GIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000187716210 823119230 /nfs/dbraw/zinc/11/92/30/823119230.db2.gz VRTUTFGWSHWCJX-AWEZNQCLSA-N 1 0 383.879 4.329 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(C#N)cc1 ZINC000571156798 823142027 /nfs/dbraw/zinc/14/20/27/823142027.db2.gz WPNUDVYSHKHZFS-KDOFPFPSSA-N 1 0 378.426 4.366 20 30 GIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000176206705 823152912 /nfs/dbraw/zinc/15/29/12/823152912.db2.gz SUPQPZBXSPQFEG-OAQYLSRUSA-N 1 0 389.536 4.070 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302374 823162346 /nfs/dbraw/zinc/16/23/46/823162346.db2.gz LKQXXQQKAVYEEA-JTSKRJEESA-N 1 0 382.479 4.232 20 30 GIEDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391288 823176386 /nfs/dbraw/zinc/17/63/86/823176386.db2.gz YXJNNKQKFIBMQW-HRAATJIYSA-N 1 0 380.488 4.320 20 30 GIEDRO COc1cc2c(cc1NC(=O)N(CCC#N)CCC[NH+](C)C)oc1ccccc12 ZINC000176324329 823182223 /nfs/dbraw/zinc/18/22/23/823182223.db2.gz WJDVYDPFFPSCGO-UHFFFAOYSA-N 1 0 394.475 4.294 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)CC1 ZINC000176336821 823185797 /nfs/dbraw/zinc/18/57/97/823185797.db2.gz RFIZEPPIVBXDBY-UHFFFAOYSA-N 1 0 399.560 4.263 20 30 GIEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459456294 823195743 /nfs/dbraw/zinc/19/57/43/823195743.db2.gz FOTVKRDBTXODHX-GOEBONIOSA-N 1 0 378.314 4.067 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000056744859 823205269 /nfs/dbraw/zinc/20/52/69/823205269.db2.gz JSYMBFANVCWUJT-UHFFFAOYSA-N 1 0 390.487 4.443 20 30 GIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)C(C)C ZINC000459547319 823217586 /nfs/dbraw/zinc/21/75/86/823217586.db2.gz VJPZLNMEKBFTNI-SFHVURJKSA-N 1 0 385.537 4.025 20 30 GIEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C2CC2)cc1 ZINC000176500468 823222269 /nfs/dbraw/zinc/22/22/69/823222269.db2.gz GOUIFGIAPOOBKG-UHFFFAOYSA-N 1 0 380.536 4.029 20 30 GIEDRO C=C[C@H](CC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000121704450 823234207 /nfs/dbraw/zinc/23/42/07/823234207.db2.gz BSCXVONVMGUNNM-JAXLGGSGSA-N 1 0 384.564 4.084 20 30 GIEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121753032 823243344 /nfs/dbraw/zinc/24/33/44/823243344.db2.gz DSABPZVZPYTQCC-CYBMUJFWSA-N 1 0 391.422 4.061 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C)c(C)n2)cc1OC ZINC000459666569 823245777 /nfs/dbraw/zinc/24/57/77/823245777.db2.gz LNNKRWVBUPVKFY-UHFFFAOYSA-N 1 0 391.309 4.324 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679690 823266151 /nfs/dbraw/zinc/26/61/51/823266151.db2.gz WXXFTSYZUYIWCF-FDDCHVKYSA-N 1 0 379.504 4.010 20 30 GIEDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc(C(F)(F)F)c(C#N)n2)cc1 ZINC000409731881 823293510 /nfs/dbraw/zinc/29/35/10/823293510.db2.gz AQHJCPCOMPQDBC-GOSISDBHSA-N 1 0 390.409 4.230 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(C)c1 ZINC000122084134 823303840 /nfs/dbraw/zinc/30/38/40/823303840.db2.gz BLDARQIQBJUEBM-UHFFFAOYSA-O 1 0 377.892 4.180 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC000572260341 823308808 /nfs/dbraw/zinc/30/88/08/823308808.db2.gz ZAQIKQUQQXNIRB-MRXNPFEDSA-N 1 0 380.879 4.118 20 30 GIEDRO CSc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000572278124 823311997 /nfs/dbraw/zinc/31/19/97/823311997.db2.gz KHQWYEJUUGJVFL-HXUWFJFHSA-N 1 0 381.545 4.242 20 30 GIEDRO CSc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000572278123 823312122 /nfs/dbraw/zinc/31/21/22/823312122.db2.gz KHQWYEJUUGJVFL-FQEVSTJZSA-N 1 0 381.545 4.242 20 30 GIEDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)cc1 ZINC000176948642 823331712 /nfs/dbraw/zinc/33/17/12/823331712.db2.gz NSKYOSOZTBRETN-UHFFFAOYSA-N 1 0 375.497 4.148 20 30 GIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)s1 ZINC000176951541 823332661 /nfs/dbraw/zinc/33/26/61/823332661.db2.gz DBILYSYYFLSWOX-UHFFFAOYSA-N 1 0 391.334 4.220 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C(F)(F)F)C2)sc2c1CCCCC2 ZINC000016591202 818456918 /nfs/dbraw/zinc/45/69/18/818456918.db2.gz QBYKHQXOVOMCNF-ZDUSSCGKSA-N 1 0 399.482 4.492 20 30 GIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)N3CCCCC3)cc2)c(O)c1 ZINC000016937128 818489208 /nfs/dbraw/zinc/48/92/08/818489208.db2.gz CEHVHJUAEOHXKB-XIEYBQDHSA-N 1 0 393.531 4.484 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000122339217 823340670 /nfs/dbraw/zinc/34/06/70/823340670.db2.gz RXXCFGIJTRRUFF-UHFFFAOYSA-N 1 0 375.497 4.247 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473387 823346099 /nfs/dbraw/zinc/34/60/99/823346099.db2.gz RYIKTDNXDREJNA-UWJYYQICSA-N 1 0 394.494 4.022 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)ccc1OC ZINC000057960050 823350477 /nfs/dbraw/zinc/35/04/77/823350477.db2.gz SRMFCBVRRKYTNV-UHFFFAOYSA-N 1 0 380.488 4.067 20 30 GIEDRO CCOc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000022134781 818775241 /nfs/dbraw/zinc/77/52/41/818775241.db2.gz GMRNUDHQDPXWHY-YADARESESA-N 1 0 399.579 4.173 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(CC)cc1 ZINC000022686197 818843823 /nfs/dbraw/zinc/84/38/23/818843823.db2.gz KXBGRQKUHDKWDV-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000022688632 818844458 /nfs/dbraw/zinc/84/44/58/818844458.db2.gz QUJXKEPLIHHBLI-UHFFFAOYSA-O 1 0 379.549 4.161 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCc2ccccc2)c1 ZINC000022730682 818851850 /nfs/dbraw/zinc/85/18/50/818851850.db2.gz BEIMLRNJPKHOKP-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)s1 ZINC000022730816 818851941 /nfs/dbraw/zinc/85/19/41/818851941.db2.gz KABZHOGCDGNMGJ-UHFFFAOYSA-O 1 0 381.546 4.381 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734159 818852499 /nfs/dbraw/zinc/85/24/99/818852499.db2.gz DIJPQHHNFDMEBY-UHFFFAOYSA-O 1 0 397.470 4.001 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022734177 818852705 /nfs/dbraw/zinc/85/27/05/818852705.db2.gz KZBNHEYIBXCALY-UHFFFAOYSA-O 1 0 381.565 4.309 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734597 818853091 /nfs/dbraw/zinc/85/30/91/818853091.db2.gz ZUKCUNYRFIGYFV-UHFFFAOYSA-O 1 0 381.546 4.093 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(N(C)C)cc1 ZINC000022797123 818861845 /nfs/dbraw/zinc/86/18/45/818861845.db2.gz RPQIOXJVWOUELT-UHFFFAOYSA-O 1 0 396.580 4.070 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000122594582 823378505 /nfs/dbraw/zinc/37/85/05/823378505.db2.gz GOKJSTIIDSVWDY-UHFFFAOYSA-N 1 0 384.483 4.451 20 30 GIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122575199 823375553 /nfs/dbraw/zinc/37/55/53/823375553.db2.gz FAAADKYTYRLVIR-UHFFFAOYSA-N 1 0 394.519 4.023 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1F ZINC000023777634 818983808 /nfs/dbraw/zinc/98/38/08/818983808.db2.gz DCVUBJUYGHVXLK-UHFFFAOYSA-N 1 0 385.508 4.488 20 30 GIEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000177149976 823383586 /nfs/dbraw/zinc/38/35/86/823383586.db2.gz CNSPFWWLXICGCY-VQIMIIECSA-N 1 0 376.460 4.051 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000572902106 823416639 /nfs/dbraw/zinc/41/66/39/823416639.db2.gz HRUGMUIYIRVOMC-IBGZPJMESA-N 1 0 383.495 4.457 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573021102 823434688 /nfs/dbraw/zinc/43/46/88/823434688.db2.gz KRZHOWVZPTUYBH-WIYYLYMNSA-N 1 0 379.552 4.221 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460571462 823438703 /nfs/dbraw/zinc/43/87/03/823438703.db2.gz HUIMGMPAUWGBFT-IEBWSBKVSA-N 1 0 399.970 4.161 20 30 GIEDRO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)n2c3ccccc3nc2c1C#N ZINC000025251913 819950404 /nfs/dbraw/zinc/95/04/04/819950404.db2.gz PZFIVQZMSDPKAV-UHFFFAOYSA-N 1 0 387.512 4.051 20 30 GIEDRO C=CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000189539852 823440135 /nfs/dbraw/zinc/44/01/35/823440135.db2.gz OBHLDCPOCOQBSD-REWPJTCUSA-N 1 0 392.543 4.363 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccccc2)c1C#N ZINC000123030253 823450346 /nfs/dbraw/zinc/45/03/46/823450346.db2.gz BMVYAZZSKBTVLK-UHFFFAOYSA-N 1 0 390.487 4.079 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(CC)cc1 ZINC000027317715 820223843 /nfs/dbraw/zinc/22/38/43/820223843.db2.gz LGRBGIMKMFHJOR-UHFFFAOYSA-O 1 0 381.565 4.354 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(CC)cc1 ZINC000027325122 820224839 /nfs/dbraw/zinc/22/48/39/820224839.db2.gz NEXAYIGKPURUER-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC2CCCCC2)cc1 ZINC000027329135 820225155 /nfs/dbraw/zinc/22/51/55/820225155.db2.gz VLLOLNFNJNMXJF-UHFFFAOYSA-O 1 0 397.564 4.406 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1ccc(C)cc1 ZINC000027329145 820225163 /nfs/dbraw/zinc/22/51/63/820225163.db2.gz WQIMGOHAKCEHKS-UHFFFAOYSA-O 1 0 383.537 4.152 20 30 GIEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1 ZINC000027486801 820251620 /nfs/dbraw/zinc/25/16/20/820251620.db2.gz ZAZBCFGFLJCYHT-KDOFPFPSSA-O 1 0 389.491 4.359 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027578720 820262834 /nfs/dbraw/zinc/26/28/34/820262834.db2.gz DXZKNMZJBDOHOM-KKSFZXQISA-N 1 0 399.922 4.178 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000028620797 820345952 /nfs/dbraw/zinc/34/59/52/820345952.db2.gz FSGZHQNQNZPZLW-UHFFFAOYSA-N 1 0 376.891 4.472 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569879 820477850 /nfs/dbraw/zinc/47/78/50/820477850.db2.gz RJRURPBVYMNMEZ-SIKLNZKXSA-N 1 0 387.527 4.479 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000177540242 823486195 /nfs/dbraw/zinc/48/61/95/823486195.db2.gz ADNINXNSEPNJGL-GOSISDBHSA-N 1 0 378.476 4.156 20 30 GIEDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000029928621 820550290 /nfs/dbraw/zinc/55/02/90/820550290.db2.gz CDRYYXMJKRTHTA-UHFFFAOYSA-N 1 0 375.516 4.354 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531896 820633149 /nfs/dbraw/zinc/63/31/49/820633149.db2.gz JUBSGEIUVUTUPI-AUSIDOKSSA-N 1 0 386.495 4.108 20 30 GIEDRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101881 820742309 /nfs/dbraw/zinc/74/23/09/820742309.db2.gz JFXXTRNDRKYFMC-YLJYHZDGSA-N 1 0 396.560 4.453 20 30 GIEDRO C[NH+](C)C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCCCC1 ZINC000032478028 820954999 /nfs/dbraw/zinc/95/49/99/820954999.db2.gz DKARRCHXWDGJDV-UHFFFAOYSA-N 1 0 391.515 4.132 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2csc(-c3ccco3)n2)c1 ZINC000123614318 823525911 /nfs/dbraw/zinc/52/59/11/823525911.db2.gz PGYWQRPFEFVEHB-UHFFFAOYSA-N 1 0 386.477 4.127 20 30 GIEDRO COc1cc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc(OC)c1OC ZINC000177821696 823531087 /nfs/dbraw/zinc/53/10/87/823531087.db2.gz RDXCSXGABOMFTC-HNNXBMFYSA-N 1 0 386.517 4.168 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1NC(C)=O ZINC000177822670 823531231 /nfs/dbraw/zinc/53/12/31/823531231.db2.gz KBTUIINCZHFICY-OAHLLOKOSA-N 1 0 383.517 4.109 20 30 GIEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000180805935 821468775 /nfs/dbraw/zinc/46/87/75/821468775.db2.gz KREZNXTYXZLVPK-IBGZPJMESA-N 1 0 394.519 4.019 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810898 821472237 /nfs/dbraw/zinc/47/22/37/821472237.db2.gz SMIYDCOSMBKNJD-QFBILLFUSA-N 1 0 396.487 4.388 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000180813514 821474343 /nfs/dbraw/zinc/47/43/43/821474343.db2.gz DFVFGIMCGFBQKB-BEFAXECRSA-N 1 0 399.466 4.022 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CSCCc3ccccc32)ccc1OC ZINC000180817305 821477766 /nfs/dbraw/zinc/47/77/66/821477766.db2.gz OPKQAJRMWUAUJC-UYAOXDASSA-N 1 0 382.529 4.496 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000180950186 821553122 /nfs/dbraw/zinc/55/31/22/821553122.db2.gz NWYWLFYAVFMIRU-GFCCVEGCSA-N 1 0 397.422 4.240 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NCc1cccs1)[n+]1cccc(C)c1 ZINC000044558029 821609079 /nfs/dbraw/zinc/60/90/79/821609079.db2.gz DTSGFFRGBCHECZ-UHFFFAOYSA-O 1 0 397.545 4.081 20 30 GIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000181397099 821805934 /nfs/dbraw/zinc/80/59/34/821805934.db2.gz WTENTQKNPIHTCB-PGRDOPGGSA-N 1 0 379.504 4.085 20 30 GIEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCCC2)cc1 ZINC000181399351 821806959 /nfs/dbraw/zinc/80/69/59/821806959.db2.gz VWRUKTOODOGYMX-DVECYGJZSA-N 1 0 393.531 4.475 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(OC4CCCC4)c3)CC2)cc1 ZINC000181486232 821847794 /nfs/dbraw/zinc/84/77/94/821847794.db2.gz ZTYLPCDYNQVXLW-UHFFFAOYSA-N 1 0 390.531 4.029 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1Br ZINC000181515523 821862954 /nfs/dbraw/zinc/86/29/54/821862954.db2.gz DQLBAYAFBVLPQT-UHFFFAOYSA-N 1 0 392.322 4.236 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(OCC#N)cc1 ZINC000181596328 821895915 /nfs/dbraw/zinc/89/59/15/821895915.db2.gz MUHVCVNQLJGGRI-MRXNPFEDSA-N 1 0 375.428 4.285 20 30 GIEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596927 821896360 /nfs/dbraw/zinc/89/63/60/821896360.db2.gz LGIKUFJPUPJVPE-IRLDBZIGSA-N 1 0 381.907 4.022 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(OCC#N)cc1 ZINC000181635407 821915011 /nfs/dbraw/zinc/91/50/11/821915011.db2.gz SCZLNYXVHADTKJ-QGZVFWFLSA-N 1 0 386.455 4.087 20 30 GIEDRO CC(C)COC[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181644105 821919612 /nfs/dbraw/zinc/91/96/12/821919612.db2.gz MYAMROSLKVQHRE-QFIPXVFZSA-N 1 0 381.520 4.119 20 30 GIEDRO C[C@@H](NC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181748998 821975131 /nfs/dbraw/zinc/97/51/31/821975131.db2.gz PMFKXGLUNFPMTK-HXUWFJFHSA-N 1 0 390.575 4.242 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(-n2cccn2)c1 ZINC000181843593 822014968 /nfs/dbraw/zinc/01/49/68/822014968.db2.gz IBXDMVOZIXZVND-IBGZPJMESA-N 1 0 385.515 4.059 20 30 GIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c(C4CC4)nc4sccn34)CC2)nc1 ZINC000181953932 822044646 /nfs/dbraw/zinc/04/46/46/822044646.db2.gz FQIJPDBHVMIFOL-UHFFFAOYSA-N 1 0 393.516 4.020 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181957829 822045708 /nfs/dbraw/zinc/04/57/08/822045708.db2.gz QVVBGJDJHHSVAN-AWEZNQCLSA-N 1 0 386.293 4.309 20 30 GIEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000182011648 822061765 /nfs/dbraw/zinc/06/17/65/822061765.db2.gz FHKZNRWHKAJFSM-ROUUACIJSA-N 1 0 379.504 4.265 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(OC[C@H]4CCCO4)c3)CC2)cc1 ZINC000182133511 822110391 /nfs/dbraw/zinc/11/03/91/822110391.db2.gz ZNDWLLRIPADFOG-XMMPIXPASA-N 1 0 391.515 4.193 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000182522537 822281491 /nfs/dbraw/zinc/28/14/91/822281491.db2.gz MNXGPDZPWGDXDC-OAHLLOKOSA-N 1 0 383.517 4.212 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000178022242 822287032 /nfs/dbraw/zinc/28/70/32/822287032.db2.gz KOEOKUYJRCFXHI-LJQANCHMSA-N 1 0 392.503 4.465 20 30 GIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066694 822307214 /nfs/dbraw/zinc/30/72/14/822307214.db2.gz OOIMOMBOHAJCDV-QGZVFWFLSA-N 1 0 387.524 4.015 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176684 822343428 /nfs/dbraw/zinc/34/34/28/822343428.db2.gz GZOQJUXRIJUCQY-IAGOWNOFSA-N 1 0 385.533 4.001 20 30 GIEDRO O=C1[C@@H]([n+]2ccc3c(c2)CCCC3)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000182700518 822354563 /nfs/dbraw/zinc/35/45/63/822354563.db2.gz ZGHLOGFYPAKGMF-FQEVSTJZSA-N 1 0 389.441 4.235 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182871259 822383308 /nfs/dbraw/zinc/38/33/08/822383308.db2.gz YBGVWGZBFCHORQ-GHTZIAJQSA-N 1 0 382.552 4.131 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1 ZINC000178529205 822388256 /nfs/dbraw/zinc/38/82/56/822388256.db2.gz VHBDEAMQBWHRPJ-QGZVFWFLSA-N 1 0 388.943 4.419 20 30 GIEDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000453598993 822391041 /nfs/dbraw/zinc/39/10/41/822391041.db2.gz PINQFJFJKJSNHF-KRWDZBQOSA-N 1 0 392.478 4.332 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000178552877 822391118 /nfs/dbraw/zinc/39/11/18/822391118.db2.gz JMADLAGWFOTLTP-UHFFFAOYSA-N 1 0 376.504 4.039 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178604834 822395654 /nfs/dbraw/zinc/39/56/54/822395654.db2.gz HDIGOECTVLMBQQ-UHFFFAOYSA-N 1 0 384.524 4.077 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178687757 822402907 /nfs/dbraw/zinc/40/29/07/822402907.db2.gz ZPGCQEUMFXUXCZ-OLZOCXBDSA-N 1 0 386.839 4.106 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045758045 822411030 /nfs/dbraw/zinc/41/10/30/822411030.db2.gz YKUISAOXRVULLS-UHFFFAOYSA-N 1 0 383.561 4.419 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757518 822411091 /nfs/dbraw/zinc/41/10/91/822411091.db2.gz XXXQNUVMGMKUTI-UHFFFAOYSA-N 1 0 377.532 4.357 20 30 GIEDRO N#CCC[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178800512 822411558 /nfs/dbraw/zinc/41/15/58/822411558.db2.gz BXLRITXPOOAWHM-HSZRJFAPSA-N 1 0 390.531 4.243 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000045780739 822412954 /nfs/dbraw/zinc/41/29/54/822412954.db2.gz KLMWSXMRCPINRK-IBGZPJMESA-N 1 0 390.531 4.274 20 30 GIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000179059302 822434267 /nfs/dbraw/zinc/43/42/67/822434267.db2.gz DGRADRWCNBPZEG-LJQANCHMSA-N 1 0 384.907 4.043 20 30 GIEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454222521 822440568 /nfs/dbraw/zinc/44/05/68/822440568.db2.gz DFBRNNDDRIBZGL-UHFFFAOYSA-N 1 0 388.821 4.092 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226438 822452542 /nfs/dbraw/zinc/45/25/42/822452542.db2.gz MXZQNLDLYDGUGK-NRFANRHFSA-N 1 0 396.922 4.190 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179595173 822509416 /nfs/dbraw/zinc/50/94/16/822509416.db2.gz XLLHRKQIQHCZEY-NWDGAFQWSA-N 1 0 377.391 4.047 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)ccc1OC ZINC000183746248 822521233 /nfs/dbraw/zinc/52/12/33/822521233.db2.gz QOIDOAOJFWLIOK-FQEVSTJZSA-N 1 0 396.535 4.447 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000047010804 822537585 /nfs/dbraw/zinc/53/75/85/822537585.db2.gz LDJWJTSBVPOCRK-UHFFFAOYSA-N 1 0 376.287 4.069 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179776337 822550575 /nfs/dbraw/zinc/55/05/75/822550575.db2.gz PULOJLHCFCDUQH-QGZVFWFLSA-N 1 0 382.895 4.327 20 30 GIEDRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179865576 822568293 /nfs/dbraw/zinc/56/82/93/822568293.db2.gz UVLBCUOBMNBECM-UHFFFAOYSA-N 1 0 390.531 4.099 20 30 GIEDRO Cc1cnn(-c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2F)c1 ZINC000179957890 822585670 /nfs/dbraw/zinc/58/56/70/822585670.db2.gz FNHNSHJPHWNNGF-UHFFFAOYSA-N 1 0 389.478 4.268 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000179967477 822587326 /nfs/dbraw/zinc/58/73/26/822587326.db2.gz WHFIECATJGPBAJ-QFIPXVFZSA-N 1 0 379.479 4.165 20 30 GIEDRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179977743 822589279 /nfs/dbraw/zinc/58/92/79/822589279.db2.gz DEDNABSTYMOAGV-QHCPKHFHSA-N 1 0 386.499 4.140 20 30 GIEDRO COc1cc(Br)cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000180028764 822600426 /nfs/dbraw/zinc/60/04/26/822600426.db2.gz UYZOPRLEBJVEMP-UHFFFAOYSA-N 1 0 387.277 4.200 20 30 GIEDRO COc1ccc(OC)c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000047699448 822600803 /nfs/dbraw/zinc/60/08/03/822600803.db2.gz JKDGIDYFHXEGHG-UHFFFAOYSA-N 1 0 388.467 4.444 20 30 GIEDRO Cn1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180066314 822607896 /nfs/dbraw/zinc/60/78/96/822607896.db2.gz IGSXUTUQZOIXCW-NRFANRHFSA-N 1 0 391.563 4.047 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OCC(C)C ZINC000180091821 822613716 /nfs/dbraw/zinc/61/37/16/822613716.db2.gz MNTNAEUWRJWJPI-OAHLLOKOSA-N 1 0 399.491 4.101 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000184320063 822614326 /nfs/dbraw/zinc/61/43/26/822614326.db2.gz BKKUBCHBWMMSOR-LSDHHAIUSA-N 1 0 377.444 4.299 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000184346010 822619636 /nfs/dbraw/zinc/61/96/36/822619636.db2.gz XJNFYGOFUGLAJI-QGZVFWFLSA-N 1 0 380.492 4.010 20 30 GIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184359444 822621765 /nfs/dbraw/zinc/62/17/65/822621765.db2.gz WIKVZLMRSRDMJC-QGZVFWFLSA-N 1 0 380.492 4.139 20 30 GIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184359425 822621801 /nfs/dbraw/zinc/62/18/01/822621801.db2.gz WIKVZLMRSRDMJC-KRWDZBQOSA-N 1 0 380.492 4.139 20 30 GIEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000180255048 822649032 /nfs/dbraw/zinc/64/90/32/822649032.db2.gz NFAQVVDLAIIEET-OAHLLOKOSA-N 1 0 380.879 4.169 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530216 822651874 /nfs/dbraw/zinc/65/18/74/822651874.db2.gz LMPCYQHDOFPCRJ-MGPUTAFESA-N 1 0 391.437 4.389 20 30 GIEDRO Cn1cc([C@@H]([NH2+]CCSCc2ccccc2C#N)c2cccc(F)c2)cn1 ZINC000180273882 822652479 /nfs/dbraw/zinc/65/24/79/822652479.db2.gz LGNMIIRCNJRWLG-NRFANRHFSA-N 1 0 380.492 4.043 20 30 GIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCC#N)c2ccc(Cl)cc2)c1 ZINC000180429387 822680263 /nfs/dbraw/zinc/68/02/63/822680263.db2.gz RSCVNJDUCXLMTB-LJQANCHMSA-N 1 0 376.909 4.116 20 30 GIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000048748372 822680987 /nfs/dbraw/zinc/68/09/87/822680987.db2.gz VYOGSNGCKIIVBV-UHFFFAOYSA-N 1 0 376.456 4.064 20 30 GIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000048781500 822682864 /nfs/dbraw/zinc/68/28/64/822682864.db2.gz KAKVJNAIXYELCF-UHFFFAOYSA-N 1 0 388.442 4.380 20 30 GIEDRO N#CC1(c2ccc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000180547559 822700059 /nfs/dbraw/zinc/70/00/59/822700059.db2.gz WDWBUPJUOKFKKB-UHFFFAOYSA-N 1 0 389.499 4.359 20 30 GIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)CC1 ZINC000455697335 822705287 /nfs/dbraw/zinc/70/52/87/822705287.db2.gz DUDFEUXKNQBKIH-GOSISDBHSA-N 1 0 388.943 4.382 20 30 GIEDRO C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455808310 822730127 /nfs/dbraw/zinc/73/01/27/822730127.db2.gz AGZQARKOLIDGDO-FQEVSTJZSA-N 1 0 389.543 4.250 20 30 GIEDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000051084799 822746271 /nfs/dbraw/zinc/74/62/71/822746271.db2.gz AGSBFPZYEFECBC-UHFFFAOYSA-N 1 0 375.428 4.044 20 30 GIEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455935519 822752789 /nfs/dbraw/zinc/75/27/89/822752789.db2.gz AZXKHLUGXFDBGB-MRXNPFEDSA-N 1 0 380.517 4.267 20 30 GIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000455944082 822755085 /nfs/dbraw/zinc/75/50/85/822755085.db2.gz MHWMWESPJSXBHY-INIZCTEOSA-N 1 0 380.517 4.125 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)Nc2cccc(CC#N)c2)c2cccs2)CC1 ZINC000455947508 822756067 /nfs/dbraw/zinc/75/60/67/822756067.db2.gz OEOVZYSVGJAWNO-IBGZPJMESA-N 1 0 382.533 4.409 20 30 GIEDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372547 822779800 /nfs/dbraw/zinc/77/98/00/822779800.db2.gz ZPFQRXKQADUMPY-KRWDZBQOSA-N 1 0 383.467 4.079 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374858 822780341 /nfs/dbraw/zinc/78/03/41/822780341.db2.gz CCFGNHZKLRVNSI-LSDHHAIUSA-N 1 0 393.878 4.075 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185577070 822798476 /nfs/dbraw/zinc/79/84/76/822798476.db2.gz BNOAZRKDEAXFPM-UHFFFAOYSA-O 1 0 392.548 4.248 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000185580255 822798681 /nfs/dbraw/zinc/79/86/81/822798681.db2.gz FNHMOSLWJHMYBY-FXAWDEMLSA-O 1 0 392.548 4.261 20 30 GIEDRO COc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1OCCCC#N ZINC000185639076 822805347 /nfs/dbraw/zinc/80/53/47/822805347.db2.gz JAJOKHGKAPGFGC-UHFFFAOYSA-N 1 0 392.503 4.289 20 30 GIEDRO COc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2n1 ZINC000174582210 822808071 /nfs/dbraw/zinc/80/80/71/822808071.db2.gz ZPNCHPKIAXJNOA-UHFFFAOYSA-N 1 0 397.482 4.310 20 30 GIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000185821000 822824281 /nfs/dbraw/zinc/82/42/81/822824281.db2.gz OHPBXQLZHAQONX-UNMCSNQZSA-N 1 0 391.515 4.227 20 30 GIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000186046194 822846878 /nfs/dbraw/zinc/84/68/78/822846878.db2.gz LAIFTNFHQQBYNW-JOCHJYFZSA-N 1 0 379.529 4.338 20 30 GIEDRO N#CCCn1cc(C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c2ccccc21 ZINC000174876493 822849692 /nfs/dbraw/zinc/84/96/92/822849692.db2.gz AXJDQDZXQCMUMD-IBGZPJMESA-N 1 0 379.504 4.161 20 30 GIEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000457103362 822853423 /nfs/dbraw/zinc/85/34/23/822853423.db2.gz ATFWNZRKCICPJB-KRWDZBQOSA-N 1 0 381.451 4.044 20 30 GIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000186286061 822870760 /nfs/dbraw/zinc/87/07/60/822870760.db2.gz ANRTXMPXJXLVQT-IBGZPJMESA-N 1 0 376.435 4.435 20 30 GIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000186288533 822871324 /nfs/dbraw/zinc/87/13/24/822871324.db2.gz XRGPLUGMWTZMKY-SFHVURJKSA-N 1 0 380.467 4.040 20 30 GIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](CCSC)c2nnc3ccccn32)c(O)c1 ZINC000054280307 822872656 /nfs/dbraw/zinc/87/26/56/822872656.db2.gz IUJFMKIWZWIIQW-LUJYGJGBSA-N 1 0 397.548 4.194 20 30 GIEDRO CC1(C#N)CCC([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000569069289 822876588 /nfs/dbraw/zinc/87/65/88/822876588.db2.gz DVOSYUACBQNBPH-UHFFFAOYSA-N 1 0 378.520 4.368 20 30 GIEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340533 822876953 /nfs/dbraw/zinc/87/69/53/822876953.db2.gz OVOGOBQMDMHZMS-AWEZNQCLSA-N 1 0 375.925 4.315 20 30 GIEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340261 822877167 /nfs/dbraw/zinc/87/71/67/822877167.db2.gz QEZRZKXUZWGWFG-QGZVFWFLSA-N 1 0 381.545 4.322 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000175286682 822924798 /nfs/dbraw/zinc/92/47/98/822924798.db2.gz VNLDVNALAGVRAK-OAQYLSRUSA-N 1 0 393.556 4.021 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(CC)cc1 ZINC000055011218 822930832 /nfs/dbraw/zinc/93/08/32/822930832.db2.gz BCXURKQEECQZII-UHFFFAOYSA-O 1 0 381.565 4.449 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC(C)(C)C)cc1 ZINC000055014560 822931435 /nfs/dbraw/zinc/93/14/35/822931435.db2.gz SPFKZMFMJXEWJU-UHFFFAOYSA-O 1 0 377.480 4.142 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000186709362 822941837 /nfs/dbraw/zinc/94/18/37/822941837.db2.gz VFCDRGVTSNNCKR-DOMZBBRYSA-N 1 0 393.350 4.477 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175359674 822945579 /nfs/dbraw/zinc/94/55/79/822945579.db2.gz AQOXHPDCZZSYAW-INIZCTEOSA-N 1 0 386.565 4.467 20 30 GIEDRO CC[C@@H](C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186964841 822988604 /nfs/dbraw/zinc/98/86/04/822988604.db2.gz NGBFNVVAFVUATE-CYBMUJFWSA-O 1 0 388.557 4.203 20 30 GIEDRO CCOc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)c1 ZINC000186968214 822989202 /nfs/dbraw/zinc/98/92/02/822989202.db2.gz VXWCHYRVRXYFLJ-UHFFFAOYSA-O 1 0 396.492 4.029 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NC(C)(C)CC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000186970794 822989778 /nfs/dbraw/zinc/98/97/78/822989778.db2.gz XXRQWXXELUHKAT-UHFFFAOYSA-O 1 0 398.596 4.320 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(C)c1 ZINC000186973152 822990291 /nfs/dbraw/zinc/99/02/91/822990291.db2.gz PQZAFRNOADUBIK-UHFFFAOYSA-O 1 0 377.480 4.278 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC(C)(C)CC)cc1 ZINC000186977472 822991109 /nfs/dbraw/zinc/99/11/09/822991109.db2.gz VYABVTAWOYYZFA-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(C)c1 ZINC000186980258 822991503 /nfs/dbraw/zinc/99/15/03/822991503.db2.gz AWWUJGINQYWACW-UHFFFAOYSA-O 1 0 381.565 4.488 20 30 GIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000175573146 823000249 /nfs/dbraw/zinc/00/02/49/823000249.db2.gz NUGPSMALSKWXOW-IBGZPJMESA-N 1 0 378.476 4.299 20 30 GIEDRO N#Cc1cc(Oc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)cc2)ccn1 ZINC000570068849 823002854 /nfs/dbraw/zinc/00/28/54/823002854.db2.gz YNRGUZVQGJHYAT-UHFFFAOYSA-N 1 0 385.471 4.217 20 30 GIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000175711557 823025335 /nfs/dbraw/zinc/02/53/35/823025335.db2.gz VJUDMNUBSHOMRL-LJQANCHMSA-N 1 0 378.476 4.299 20 30 GIEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460940431 823547108 /nfs/dbraw/zinc/54/71/08/823547108.db2.gz VZFNNESMHVKGMT-GOSISDBHSA-N 1 0 385.581 4.346 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460942108 823547266 /nfs/dbraw/zinc/54/72/66/823547266.db2.gz WJVUMFLVZDBUSW-HXUWFJFHSA-N 1 0 379.552 4.284 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)ccc1OC ZINC000123918560 823551522 /nfs/dbraw/zinc/55/15/22/823551522.db2.gz ADYOXBIGEBHVGL-UHFFFAOYSA-N 1 0 383.467 4.008 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000411168078 823553789 /nfs/dbraw/zinc/55/37/89/823553789.db2.gz PHLMZDLRXWDFTB-HNNXBMFYSA-N 1 0 387.430 4.399 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000411223369 823558507 /nfs/dbraw/zinc/55/85/07/823558507.db2.gz CJGCYZHWFJYCJE-UHFFFAOYSA-N 1 0 375.394 4.431 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)c2)c1 ZINC000060974490 823570462 /nfs/dbraw/zinc/57/04/62/823570462.db2.gz FODFXUPLEKHFLB-UHFFFAOYSA-N 1 0 395.466 4.008 20 30 GIEDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000411447799 823575329 /nfs/dbraw/zinc/57/53/29/823575329.db2.gz KBCMSWWLPWHQKN-ROUUACIJSA-N 1 0 385.414 4.006 20 30 GIEDRO C=C(C)[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000411559451 823587937 /nfs/dbraw/zinc/58/79/37/823587937.db2.gz WBEOHVSFWDKQTP-FQEVSTJZSA-N 1 0 376.472 4.208 20 30 GIEDRO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606222 823590781 /nfs/dbraw/zinc/59/07/81/823590781.db2.gz VBROHRVGZPWOBR-BXKMTCNYSA-N 1 0 399.494 4.172 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614109 823591767 /nfs/dbraw/zinc/59/17/67/823591767.db2.gz HILNVYRKEFMWJY-UZUQRXQVSA-N 1 0 399.494 4.172 20 30 GIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCSc4ccc(Cl)cc43)C2=O)cc1 ZINC000190617095 823592164 /nfs/dbraw/zinc/59/21/64/823592164.db2.gz SVWKAFURXPXRTQ-RTBURBONSA-N 1 0 397.931 4.139 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000190626743 823593033 /nfs/dbraw/zinc/59/30/33/823593033.db2.gz KQOFDRNYKAEIAL-SFHVURJKSA-N 1 0 377.488 4.218 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628748 823593439 /nfs/dbraw/zinc/59/34/39/823593439.db2.gz RGBISQCOFUTGMO-HTAPYJJXSA-N 1 0 391.515 4.187 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000190632385 823593765 /nfs/dbraw/zinc/59/37/65/823593765.db2.gz MTXHQNDCAMKXSQ-DJJJIMSYSA-N 1 0 388.298 4.317 20 30 GIEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411651673 823594369 /nfs/dbraw/zinc/59/43/69/823594369.db2.gz XXBNJYOSILKDIQ-GOSISDBHSA-N 1 0 375.394 4.479 20 30 GIEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000124411911 823594448 /nfs/dbraw/zinc/59/44/48/823594448.db2.gz WHKVARWYMIAPQD-LJQANCHMSA-N 1 0 388.305 4.065 20 30 GIEDRO C=CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061776725 823613596 /nfs/dbraw/zinc/61/35/96/823613596.db2.gz JTACCCSGUYMFON-UHFFFAOYSA-N 1 0 385.533 4.347 20 30 GIEDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411957614 823616566 /nfs/dbraw/zinc/61/65/66/823616566.db2.gz WKVXSPQIHCZMFZ-LHSJRXKWSA-N 1 0 389.565 4.010 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000411977159 823617427 /nfs/dbraw/zinc/61/74/27/823617427.db2.gz AOCMQTCEJSMOCM-SFHVURJKSA-N 1 0 388.508 4.070 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000411990367 823618717 /nfs/dbraw/zinc/61/87/17/823618717.db2.gz VXGRIKCGBKSRLZ-GOSISDBHSA-N 1 0 388.508 4.070 20 30 GIEDRO C=CCc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc(OC)c1O ZINC000124707594 823619529 /nfs/dbraw/zinc/61/95/29/823619529.db2.gz SRIARUOUMZGJCA-UHFFFAOYSA-N 1 0 389.442 4.203 20 30 GIEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000062240460 823625681 /nfs/dbraw/zinc/62/56/81/823625681.db2.gz RCMNWUGBYCHINV-QGZVFWFLSA-N 1 0 387.955 4.473 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000062410340 823633894 /nfs/dbraw/zinc/63/38/94/823633894.db2.gz HCCBTQZPKUCJAM-UHFFFAOYSA-N 1 0 389.446 4.125 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000412194747 823634627 /nfs/dbraw/zinc/63/46/27/823634627.db2.gz ONLXPPUPKFWUPG-ZFFYZDHPSA-N 1 0 399.538 4.175 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000461445838 823639288 /nfs/dbraw/zinc/63/92/88/823639288.db2.gz GYNGEWXWMGKPDV-UHFFFAOYSA-N 1 0 390.918 4.301 20 30 GIEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461466408 823643191 /nfs/dbraw/zinc/64/31/91/823643191.db2.gz IVXXKHCZNDZMJO-IBGZPJMESA-N 1 0 381.907 4.244 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000125016773 823645354 /nfs/dbraw/zinc/64/53/54/823645354.db2.gz GHNLOAWECCXVMN-QGZVFWFLSA-N 1 0 386.565 4.421 20 30 GIEDRO C[NH+](C)Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(F)c1 ZINC000412555590 823661739 /nfs/dbraw/zinc/66/17/39/823661739.db2.gz CBPJJOTXOBIWNG-UHFFFAOYSA-N 1 0 378.451 4.398 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc(C2CC2)n1 ZINC000125322906 823667756 /nfs/dbraw/zinc/66/77/56/823667756.db2.gz HRTJFZYJNGVMFO-UHFFFAOYSA-N 1 0 389.594 4.119 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000063400196 823668001 /nfs/dbraw/zinc/66/80/01/823668001.db2.gz GJNVSMVQYUAINO-OAQYLSRUSA-N 1 0 392.503 4.076 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000063400455 823668012 /nfs/dbraw/zinc/66/80/12/823668012.db2.gz WLBJQGOWXKJKMX-HXUWFJFHSA-N 1 0 394.544 4.154 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000063400883 823668161 /nfs/dbraw/zinc/66/81/61/823668161.db2.gz SWWUZWIWAJDOIK-UHFFFAOYSA-N 1 0 390.531 4.298 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000063401656 823668330 /nfs/dbraw/zinc/66/83/30/823668330.db2.gz KPHOAWOMFYOJMA-UHFFFAOYSA-N 1 0 390.531 4.298 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000125614818 823690051 /nfs/dbraw/zinc/69/00/51/823690051.db2.gz CVPXPIBULKFVFF-QGZVFWFLSA-N 1 0 381.545 4.447 20 30 GIEDRO CC(C)OCc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750511 823693565 /nfs/dbraw/zinc/69/35/65/823693565.db2.gz LTLYUCCZCZOKKK-UHFFFAOYSA-N 1 0 393.531 4.010 20 30 GIEDRO Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(Cl)cc1C#N ZINC000461787738 823695376 /nfs/dbraw/zinc/69/53/76/823695376.db2.gz VCVZOQMDVMXZNL-HUUCEWRRSA-N 1 0 384.911 4.136 20 30 GIEDRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(N(C)CCC#N)cc3)c2)CC1 ZINC000125691056 823697044 /nfs/dbraw/zinc/69/70/44/823697044.db2.gz KTDRRFJVJHOSMR-UHFFFAOYSA-N 1 0 391.563 4.179 20 30 GIEDRO Cc1cccnc1[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000163354514 823703555 /nfs/dbraw/zinc/70/35/55/823703555.db2.gz NBWGQFYOLGDQFX-HXUWFJFHSA-N 1 0 384.911 4.277 20 30 GIEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1 ZINC000461904065 823746910 /nfs/dbraw/zinc/74/69/10/823746910.db2.gz SQCKMMYKHFWHBP-OALUTQOASA-N 1 0 375.516 4.353 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000461910134 823750476 /nfs/dbraw/zinc/75/04/76/823750476.db2.gz TVOPBQTVGXASRV-RBUKOAKNSA-N 1 0 375.516 4.210 20 30 GIEDRO N#CCCn1cc(C[NH2+]CCc2cc3ccccc3s2)c(-c2ccncc2)n1 ZINC000574587514 823772715 /nfs/dbraw/zinc/77/27/15/823772715.db2.gz VSJKASLHWKYLFR-UHFFFAOYSA-N 1 0 387.512 4.406 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000064229302 823775892 /nfs/dbraw/zinc/77/58/92/823775892.db2.gz XEJGLQCKKZYVBQ-UHFFFAOYSA-N 1 0 381.520 4.045 20 30 GIEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000164140604 823780809 /nfs/dbraw/zinc/78/08/09/823780809.db2.gz ZWEQNMHLNLMZHY-QUCCMNQESA-N 1 0 391.540 4.266 20 30 GIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1-n1cccn1 ZINC000191821039 823782144 /nfs/dbraw/zinc/78/21/44/823782144.db2.gz JAYBBVPFUAUVIB-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO COC1CC[NH+](C2(CNc3cccc(Br)c3C#N)CCCC2)CC1 ZINC000574683142 823800298 /nfs/dbraw/zinc/80/02/98/823800298.db2.gz RIOAHFONTAOSOO-UHFFFAOYSA-N 1 0 392.341 4.156 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000574712739 823806415 /nfs/dbraw/zinc/80/64/15/823806415.db2.gz IMCORDYZERDFEC-HNNXBMFYSA-N 1 0 383.805 4.039 20 30 GIEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(CC#N)cc1)[NH+]1CCCCC1 ZINC000126237277 823817913 /nfs/dbraw/zinc/81/79/13/823817913.db2.gz KNTBLZBBAGEUGE-NRFANRHFSA-N 1 0 392.503 4.110 20 30 GIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2 ZINC000126285918 823830168 /nfs/dbraw/zinc/83/01/68/823830168.db2.gz PIFFWSYYNWQXTA-SFHVURJKSA-N 1 0 392.532 4.111 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000413830063 823846785 /nfs/dbraw/zinc/84/67/85/823846785.db2.gz XIFFBPCUJNDVNT-FQEVSTJZSA-N 1 0 381.520 4.073 20 30 GIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccn1 ZINC000165440937 823848828 /nfs/dbraw/zinc/84/88/28/823848828.db2.gz SNOLWASECKQTIH-UHFFFAOYSA-N 1 0 382.533 4.133 20 30 GIEDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000064631641 823854538 /nfs/dbraw/zinc/85/45/38/823854538.db2.gz QGZLLVSJPSIWLE-UHFFFAOYSA-N 1 0 377.488 4.047 20 30 GIEDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000064631587 823854548 /nfs/dbraw/zinc/85/45/48/823854548.db2.gz DBQRXLAAYSSFRC-UHFFFAOYSA-N 1 0 377.488 4.047 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F ZINC000192097331 823859208 /nfs/dbraw/zinc/85/92/08/823859208.db2.gz KQAPKPKIIFSVJQ-KRWDZBQOSA-N 1 0 380.398 4.266 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC000192138367 823875651 /nfs/dbraw/zinc/87/56/51/823875651.db2.gz YMRMKEDCQBGNOA-ZWKOTPCHSA-N 1 0 393.231 4.219 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000064743618 823877779 /nfs/dbraw/zinc/87/77/79/823877779.db2.gz RDNYVMUULOZJCR-UHFFFAOYSA-N 1 0 392.503 4.120 20 30 GIEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(OC)c1 ZINC000575021127 823890105 /nfs/dbraw/zinc/89/01/05/823890105.db2.gz QUWZYIFITYSIBY-HSZRJFAPSA-N 1 0 380.488 4.064 20 30 GIEDRO CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462250029 823897704 /nfs/dbraw/zinc/89/77/04/823897704.db2.gz YHKHGLMECXHKIC-DNVFCKCGSA-N 1 0 375.516 4.346 20 30 GIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414349555 823962833 /nfs/dbraw/zinc/96/28/33/823962833.db2.gz KGMMSGXEZBUMIK-BEFAXECRSA-N 1 0 376.342 4.085 20 30 GIEDRO CCOc1ccc([C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000126920538 823981151 /nfs/dbraw/zinc/98/11/51/823981151.db2.gz UKOLABQBLHPGCE-OFNKIYASSA-N 1 0 382.504 4.376 20 30 GIEDRO CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCc2cccnc21 ZINC000126987307 823995538 /nfs/dbraw/zinc/99/55/38/823995538.db2.gz IKZLNWOXZDUKCP-SFHVURJKSA-N 1 0 382.533 4.379 20 30 GIEDRO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1Cl ZINC000414545711 824007547 /nfs/dbraw/zinc/00/75/47/824007547.db2.gz FTLBFHXUAICEJR-UHFFFAOYSA-N 1 0 395.894 4.153 20 30 GIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000575889823 824020925 /nfs/dbraw/zinc/02/09/25/824020925.db2.gz PUIBSCOIFJIGGT-RPWUZVMVSA-N 1 0 375.516 4.345 20 30 GIEDRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC000127120037 824021645 /nfs/dbraw/zinc/02/16/45/824021645.db2.gz PVCHTPBNMCXBEE-UHFFFAOYSA-N 1 0 396.494 4.072 20 30 GIEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414904303 824048450 /nfs/dbraw/zinc/04/84/50/824048450.db2.gz MRAYDXNVSAMKII-GOSISDBHSA-N 1 0 384.911 4.444 20 30 GIEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000414962477 824054383 /nfs/dbraw/zinc/05/43/83/824054383.db2.gz JSTRDYRQXATPPU-UGSOOPFHSA-N 1 0 384.867 4.205 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000414973281 824055959 /nfs/dbraw/zinc/05/59/59/824055959.db2.gz ZDDFCCQAKVUABE-GOSISDBHSA-N 1 0 384.867 4.205 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029509 721808771 /nfs/dbraw/zinc/80/87/71/721808771.db2.gz ZOCMSSDQLZVGEX-TUACAJSNSA-N 1 0 397.526 4.238 20 30 GIEDRO C[N@H+](CCc1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1)C1CC1 ZINC000570535899 823051140 /nfs/dbraw/zinc/05/11/40/823051140.db2.gz CCNXBRCEEJVXBW-UHFFFAOYSA-N 1 0 379.479 4.250 20 30 GIEDRO C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630570 823067077 /nfs/dbraw/zinc/06/70/77/823067077.db2.gz KKKKOWDSGYCHFY-VCOUNFBDSA-N 1 0 382.552 4.374 20 30 GIEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000120923424 823087236 /nfs/dbraw/zinc/08/72/36/823087236.db2.gz PBVBMCTZXLFRGC-YWZLYKJASA-N 1 0 397.906 4.416 20 30 GIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803777 823088700 /nfs/dbraw/zinc/08/87/00/823088700.db2.gz RMUSBFPRUWVECJ-FQEVSTJZSA-N 1 0 384.549 4.256 20 30 GIEDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000120949789 823091400 /nfs/dbraw/zinc/09/14/00/823091400.db2.gz ZCMSLDDPQKRPOZ-KBXCAEBGSA-N 1 0 382.533 4.126 20 30 GIEDRO N#CCSc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000176001254 823092637 /nfs/dbraw/zinc/09/26/37/823092637.db2.gz NWSXMMNFQCIHDS-UHFFFAOYSA-N 1 0 379.529 4.218 20 30 GIEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056161976 823093293 /nfs/dbraw/zinc/09/32/93/823093293.db2.gz UIWIBWCJRLWXLT-JKSUJKDBSA-N 1 0 381.476 4.033 20 30 GIEDRO Cc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)cc1 ZINC000176033782 823101358 /nfs/dbraw/zinc/10/13/58/823101358.db2.gz FBOZNSXUFKETJX-OAQYLSRUSA-N 1 0 379.529 4.178 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2)c1 ZINC000570893065 823103428 /nfs/dbraw/zinc/10/34/28/823103428.db2.gz PGMIHZQYNVDUIY-NRFANRHFSA-N 1 0 392.890 4.434 20 30 GIEDRO C=C(C)[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782875 823131937 /nfs/dbraw/zinc/13/19/37/823131937.db2.gz TZADVPSPZNBAIW-HXUWFJFHSA-N 1 0 395.471 4.044 20 30 GIEDRO Fc1cc(C(F)(F)F)cc(C2(C[NH2+]C3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC000187991587 823168251 /nfs/dbraw/zinc/16/82/51/823168251.db2.gz SRILFYMPMSYXFQ-UHFFFAOYSA-N 1 0 398.366 4.492 20 30 GIEDRO N#Cc1ccc(C2(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)cc1 ZINC000187991711 823168258 /nfs/dbraw/zinc/16/82/58/823168258.db2.gz QCXGSCQYOJVULM-NRFANRHFSA-N 1 0 393.918 4.197 20 30 GIEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187992000 823168349 /nfs/dbraw/zinc/16/83/49/823168349.db2.gz XKJMEVGNEPJEIM-HSZRJFAPSA-N 1 0 388.515 4.153 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000176285580 823172426 /nfs/dbraw/zinc/17/24/26/823172426.db2.gz IVTZLHZWZZSKEE-CQSZACIVSA-N 1 0 389.952 4.135 20 30 GIEDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391292 823176492 /nfs/dbraw/zinc/17/64/92/823176492.db2.gz YXJNNKQKFIBMQW-IERDGZPVSA-N 1 0 380.488 4.320 20 30 GIEDRO N#CCCC1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000571405207 823178449 /nfs/dbraw/zinc/17/84/49/823178449.db2.gz PKBCKQYQZXZHJR-UHFFFAOYSA-N 1 0 376.426 4.466 20 30 GIEDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121502673 823195952 /nfs/dbraw/zinc/19/59/52/823195952.db2.gz STZXHLIAXBODSK-UHFFFAOYSA-N 1 0 398.514 4.302 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1F ZINC000121540497 823202367 /nfs/dbraw/zinc/20/23/67/823202367.db2.gz RIOLVXMROZTJHY-QGZVFWFLSA-N 1 0 383.467 4.049 20 30 GIEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000056750698 823206981 /nfs/dbraw/zinc/20/69/81/823206981.db2.gz XREBZFPVWYCGEG-INIZCTEOSA-N 1 0 398.894 4.467 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000571613408 823209183 /nfs/dbraw/zinc/20/91/83/823209183.db2.gz JVMTYOXELYJKQI-ZEJGCCENSA-N 1 0 381.545 4.163 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409463043 823225373 /nfs/dbraw/zinc/22/53/73/823225373.db2.gz CFCDZVOUJJAOME-GOSISDBHSA-N 1 0 399.498 4.371 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)CCCc2cccnc2)ccc1Cl ZINC000459632301 823233467 /nfs/dbraw/zinc/23/34/67/823233467.db2.gz CJADRTRLWLNIMA-GOSISDBHSA-N 1 0 398.938 4.291 20 30 GIEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787774 823234409 /nfs/dbraw/zinc/23/44/09/823234409.db2.gz CGUMBKFZQHFABP-DNQXCXABSA-N 1 0 393.531 4.012 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000176555882 823236255 /nfs/dbraw/zinc/23/62/55/823236255.db2.gz DEROZFNVMRHNPZ-UHFFFAOYSA-N 1 0 384.455 4.317 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188432628 823240167 /nfs/dbraw/zinc/24/01/67/823240167.db2.gz LFHZTLBWSAQBDP-UHFFFAOYSA-N 1 0 391.540 4.086 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121790798 823252102 /nfs/dbraw/zinc/25/21/02/823252102.db2.gz DNDBUAOTTSQEHG-LJQANCHMSA-N 1 0 392.503 4.072 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000057177522 823259815 /nfs/dbraw/zinc/25/98/15/823259815.db2.gz GHLOMBWHIPFCPA-KRWDZBQOSA-N 1 0 380.463 4.140 20 30 GIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2C1 ZINC000409643382 823271525 /nfs/dbraw/zinc/27/15/25/823271525.db2.gz GSZPIPZXCIXHME-UHFFFAOYSA-N 1 0 399.498 4.358 20 30 GIEDRO O=C1[C@H]([n+]2ccc(Cc3ccccc3)cc2)CCCN1Cc1ccc(F)cc1F ZINC000188633158 823277017 /nfs/dbraw/zinc/27/70/17/823277017.db2.gz RIAGAVGJJHOQLL-HSZRJFAPSA-N 1 0 393.457 4.207 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OCC ZINC000007266833 817807890 /nfs/dbraw/zinc/80/78/90/817807890.db2.gz NFFFCQHLUYWZFL-JKSUJKDBSA-N 1 0 381.476 4.033 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000057450730 823299032 /nfs/dbraw/zinc/29/90/32/823299032.db2.gz LCVGCHDDAUWHCN-OAHLLOKOSA-N 1 0 382.514 4.395 20 30 GIEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000122089703 823304625 /nfs/dbraw/zinc/30/46/25/823304625.db2.gz GHVBWZYLUDRBQM-CYBMUJFWSA-O 1 0 379.908 4.402 20 30 GIEDRO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000176875980 823315329 /nfs/dbraw/zinc/31/53/29/823315329.db2.gz QQMRZGNQSDVOPU-UHFFFAOYSA-N 1 0 394.544 4.044 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCCCCCC2)c1C#N ZINC000014788125 818265786 /nfs/dbraw/zinc/26/57/86/818265786.db2.gz IZJQCRBIKMNOHW-UHFFFAOYSA-N 1 0 382.508 4.213 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000176919462 823324249 /nfs/dbraw/zinc/32/42/49/823324249.db2.gz GJVXACLDMNLQNB-NRFANRHFSA-N 1 0 394.519 4.165 20 30 GIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000015247770 818302774 /nfs/dbraw/zinc/30/27/74/818302774.db2.gz SFRLJBURUDXTQG-UHFFFAOYSA-O 1 0 391.516 4.080 20 30 GIEDRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000015246899 818302824 /nfs/dbraw/zinc/30/28/24/818302824.db2.gz CITROFNYMYFZBQ-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO COc1cc(C[N@H+](CCOc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000016423786 818441195 /nfs/dbraw/zinc/44/11/95/818441195.db2.gz YTDZKDFFGSBBAX-UHFFFAOYSA-N 1 0 388.414 4.212 20 30 GIEDRO C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1ccccc1Br ZINC000176990886 823344054 /nfs/dbraw/zinc/34/40/54/823344054.db2.gz INZVEOXFNVVKDK-LSDHHAIUSA-N 1 0 389.293 4.297 20 30 GIEDRO N#Cc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000020666522 818628546 /nfs/dbraw/zinc/62/85/46/818628546.db2.gz KFSPJNQVDCSIGZ-UHFFFAOYSA-N 1 0 398.466 4.378 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)ccc1OC ZINC000057965739 823351413 /nfs/dbraw/zinc/35/14/13/823351413.db2.gz LHCALABEJNAEFV-UHFFFAOYSA-N 1 0 397.519 4.470 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC)[n+]2ccc(C(CC)CC)cc2)cc1 ZINC000022734445 818853221 /nfs/dbraw/zinc/85/32/21/818853221.db2.gz GVUJUNDXUBUNHD-UHFFFAOYSA-O 1 0 385.553 4.435 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCOC)cc1 ZINC000022792346 818861370 /nfs/dbraw/zinc/86/13/70/818861370.db2.gz WLRUJLHYTPZERR-UHFFFAOYSA-O 1 0 385.553 4.053 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)sc2c1CCCC2 ZINC000177170357 823390218 /nfs/dbraw/zinc/39/02/18/823390218.db2.gz KQODSZDTDHEQLX-UHFFFAOYSA-N 1 0 399.482 4.492 20 30 GIEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000572737766 823390768 /nfs/dbraw/zinc/39/07/68/823390768.db2.gz SBRMZTGHJZAAIO-HSZRJFAPSA-N 1 0 389.478 4.238 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058452439 823393746 /nfs/dbraw/zinc/39/37/46/823393746.db2.gz NHAJOKPGIAROJA-QGZVFWFLSA-N 1 0 376.504 4.420 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3C[C@H](c4ccc(F)c(Br)c4)C3)n2c1 ZINC000572792469 823399492 /nfs/dbraw/zinc/39/94/92/823399492.db2.gz OSMMWGZJASKAJK-SHTZXODSSA-N 1 0 399.267 4.143 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000122824907 823418660 /nfs/dbraw/zinc/41/86/60/823418660.db2.gz DLZDOGYHXZABPM-OAQYLSRUSA-N 1 0 384.882 4.030 20 30 GIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460570258 823438004 /nfs/dbraw/zinc/43/80/04/823438004.db2.gz FSTHEMBPFJYWJD-RTBURBONSA-N 1 0 399.608 4.154 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000025233016 819946971 /nfs/dbraw/zinc/94/69/71/819946971.db2.gz LJXCLPMGSGKIOX-DENIHFKCSA-N 1 0 397.515 4.009 20 30 GIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000573056974 823441635 /nfs/dbraw/zinc/44/16/35/823441635.db2.gz UANVRLRHYTYFHN-XMMPIXPASA-N 1 0 383.495 4.326 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000025865896 820032353 /nfs/dbraw/zinc/03/23/53/820032353.db2.gz AVTQJDNNHVYVMD-DEOSSOPVSA-N 1 0 386.495 4.195 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1C#N ZINC000026472705 820101447 /nfs/dbraw/zinc/10/14/47/820101447.db2.gz QJEBMEXKLBDPED-QAPCUYQASA-N 1 0 382.508 4.067 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(C)cc1 ZINC000027054894 820186368 /nfs/dbraw/zinc/18/63/68/820186368.db2.gz DFRWCUDAPSEXQF-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO C[C@H](c1ccccc1Cl)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410311947 823459982 /nfs/dbraw/zinc/45/99/82/823459982.db2.gz KWFFRJXVNRFCLN-GOSISDBHSA-N 1 0 375.944 4.119 20 30 GIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)CCO3)[n+]2ccccc2)c1 ZINC000027172322 820205485 /nfs/dbraw/zinc/20/54/85/820205485.db2.gz FRFDRFUAHPYCEG-UHFFFAOYSA-O 1 0 389.500 4.268 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)c1 ZINC000027293428 820222274 /nfs/dbraw/zinc/22/22/74/820222274.db2.gz MBAZTIUAXCBDCS-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1OC)C(=S)NC1CCCCC1 ZINC000027329144 820225192 /nfs/dbraw/zinc/22/51/92/820225192.db2.gz AGOFFSHLIIHAHK-UHFFFAOYSA-O 1 0 397.564 4.406 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccccc1 ZINC000027482429 820250689 /nfs/dbraw/zinc/25/06/89/820250689.db2.gz ZMPJNTGLDJDJQV-UHFFFAOYSA-O 1 0 387.594 4.181 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000027485656 820251084 /nfs/dbraw/zinc/25/10/84/820251084.db2.gz ARTWUXQIJRRYNJ-DNVCBOLYSA-O 1 0 384.569 4.335 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1cccc(C)c1 ZINC000027485425 820251217 /nfs/dbraw/zinc/25/12/17/820251217.db2.gz WICIBDUVOXSPRA-PKOBYXMFSA-O 1 0 397.564 4.398 20 30 GIEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1 ZINC000027486805 820251684 /nfs/dbraw/zinc/25/16/84/820251684.db2.gz ZAZBCFGFLJCYHT-RDTXWAMCSA-O 1 0 389.491 4.359 20 30 GIEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000027486572 820251785 /nfs/dbraw/zinc/25/17/85/820251785.db2.gz GMTKAZIDNDSLER-KSSFIOAISA-O 1 0 389.491 4.359 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573296005 823477465 /nfs/dbraw/zinc/47/74/65/823477465.db2.gz BPHNARNHSYGNSG-JTJFMMGNSA-N 1 0 381.545 4.021 20 30 GIEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000177508039 823479391 /nfs/dbraw/zinc/47/93/91/823479391.db2.gz DSUJBXHKAJSWLQ-QZTJIDSGSA-N 1 0 379.529 4.312 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000123217525 823480253 /nfs/dbraw/zinc/48/02/53/823480253.db2.gz ASTNYQQNVDWTBS-WBVHZDCISA-N 1 0 381.451 4.044 20 30 GIEDRO CCc1cccc[n+]1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000029576584 820479031 /nfs/dbraw/zinc/47/90/31/820479031.db2.gz HSGSXHMBPXHCKY-OAQYLSRUSA-N 1 0 375.517 4.417 20 30 GIEDRO N#CC1CCC(C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000573358969 823483926 /nfs/dbraw/zinc/48/39/26/823483926.db2.gz PKHXMOGGAKAJCL-YABDQXBESA-N 1 0 378.516 4.073 20 30 GIEDRO Cc1ccc(-c2cc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000029712143 820503668 /nfs/dbraw/zinc/50/36/68/820503668.db2.gz FSHLAEWZAMPJHG-UHFFFAOYSA-N 1 0 386.499 4.230 20 30 GIEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000177553806 823489559 /nfs/dbraw/zinc/48/95/59/823489559.db2.gz JWYIZACEDCJICH-PMACEKPBSA-N 1 0 393.556 4.453 20 30 GIEDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000030273634 820593891 /nfs/dbraw/zinc/59/38/91/820593891.db2.gz DMDZPHDYXOZUMR-UHFFFAOYSA-N 1 0 375.516 4.304 20 30 GIEDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573410367 823490231 /nfs/dbraw/zinc/49/02/31/823490231.db2.gz JSKDRGFGWJCUOC-INIZCTEOSA-N 1 0 381.545 4.309 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(C)C ZINC000030454961 820618651 /nfs/dbraw/zinc/61/86/51/820618651.db2.gz XQIHCTNVRJLQDA-CVEARBPZSA-N 1 0 381.476 4.032 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531900 820633224 /nfs/dbraw/zinc/63/32/24/820633224.db2.gz JUBSGEIUVUTUPI-XXBNENTESA-N 1 0 386.495 4.108 20 30 GIEDRO N#CCCn1cc(CNC2CC[NH+](C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000177582943 823496146 /nfs/dbraw/zinc/49/61/46/823496146.db2.gz XPLDRBDVPWLINN-UHFFFAOYSA-N 1 0 391.563 4.350 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410507722 823500515 /nfs/dbraw/zinc/50/05/15/823500515.db2.gz IODWXMOGGLKMHJ-FQEVSTJZSA-N 1 0 389.543 4.250 20 30 GIEDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)cc1 ZINC000177685885 823513535 /nfs/dbraw/zinc/51/35/35/823513535.db2.gz IULAOEVVRVXSBD-UHFFFAOYSA-N 1 0 375.497 4.148 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177717417 823516170 /nfs/dbraw/zinc/51/61/70/823516170.db2.gz IRLSJECOBNAJTE-UHFFFAOYSA-N 1 0 377.469 4.267 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460806190 823517554 /nfs/dbraw/zinc/51/75/54/823517554.db2.gz WBGBGLCPIHJQJF-UTKZUKDTSA-N 1 0 392.551 4.169 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000042510144 821309221 /nfs/dbraw/zinc/30/92/21/821309221.db2.gz UDZBQDGUOOVOFG-AVRDEDQJSA-N 1 0 379.504 4.317 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000042510150 821309283 /nfs/dbraw/zinc/30/92/83/821309283.db2.gz UDZBQDGUOOVOFG-GCJKJVERSA-N 1 0 379.504 4.317 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043574362 821428460 /nfs/dbraw/zinc/42/84/60/821428460.db2.gz KDZJCVDVVYVYGF-UHFFFAOYSA-N 1 0 378.520 4.049 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000180811375 821472972 /nfs/dbraw/zinc/47/29/72/821472972.db2.gz KATQPFRTVPZUHN-NVXWUHKLSA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000180811357 821472992 /nfs/dbraw/zinc/47/29/92/821472992.db2.gz KATQPFRTVPZUHN-WBVHZDCISA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)ccc1OC ZINC000180813434 821474131 /nfs/dbraw/zinc/47/41/31/821474131.db2.gz WKBUEURYEOGUBS-MJGOQNOKSA-N 1 0 395.503 4.192 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180894184 821520542 /nfs/dbraw/zinc/52/05/42/821520542.db2.gz QCGFRTDOWVKDBU-HNNXBMFYSA-N 1 0 376.485 4.361 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000180972285 821565566 /nfs/dbraw/zinc/56/55/66/821565566.db2.gz RWXXIBVFBPLWIM-CQSZACIVSA-N 1 0 391.393 4.179 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)c(C)c(C)c1C ZINC000044557329 821608926 /nfs/dbraw/zinc/60/89/26/821608926.db2.gz DJYKTFAOKXDHTD-UHFFFAOYSA-O 1 0 398.596 4.211 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000044803210 821665328 /nfs/dbraw/zinc/66/53/28/821665328.db2.gz PJCMYSKCGKFCAA-VXGBXAGGSA-N 1 0 393.821 4.491 20 30 GIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181156681 821668492 /nfs/dbraw/zinc/66/84/92/821668492.db2.gz OKLNTNSQIFAZJL-QGZVFWFLSA-N 1 0 398.528 4.004 20 30 GIEDRO N#Cc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000181189355 821685625 /nfs/dbraw/zinc/68/56/25/821685625.db2.gz RMIWYNSSPRVZER-UHFFFAOYSA-N 1 0 384.483 4.079 20 30 GIEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214770 821701419 /nfs/dbraw/zinc/70/14/19/821701419.db2.gz ORVOAWMVPWQBLA-HNNXBMFYSA-N 1 0 390.405 4.072 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000181214973 821702022 /nfs/dbraw/zinc/70/20/22/821702022.db2.gz FFUXRFJLMLKHCB-CQSZACIVSA-N 1 0 393.405 4.434 20 30 GIEDRO COc1ccc2ccccc2c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181431268 821823413 /nfs/dbraw/zinc/82/34/13/821823413.db2.gz YFJMOHXANYVBND-UHFFFAOYSA-N 1 0 385.511 4.474 20 30 GIEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000181500282 821855517 /nfs/dbraw/zinc/85/55/17/821855517.db2.gz BCDATLCCYMPQKS-IBGZPJMESA-N 1 0 382.895 4.165 20 30 GIEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000181534792 821871255 /nfs/dbraw/zinc/87/12/55/821871255.db2.gz YHIFGWZKWSKIND-GOSISDBHSA-N 1 0 377.488 4.201 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(OCc3ccccc3OC)CC2)cc1OC ZINC000181553109 821878836 /nfs/dbraw/zinc/87/88/36/821878836.db2.gz NVRLVNUFEXBKBU-UHFFFAOYSA-N 1 0 397.515 4.450 20 30 GIEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663408 821930653 /nfs/dbraw/zinc/93/06/53/821930653.db2.gz QKTXRKZJHPHHFM-OXQOHEQNSA-N 1 0 397.544 4.055 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(Sc4ccccc4)CC3)CC2)cc1 ZINC000181732555 821966214 /nfs/dbraw/zinc/96/62/14/821966214.db2.gz SKYRORQQNNIXSU-UHFFFAOYSA-N 1 0 377.557 4.437 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(OCC#N)cc1 ZINC000181765766 821983820 /nfs/dbraw/zinc/98/38/20/821983820.db2.gz GYWWPMUQTYQWNO-NVXWUHKLSA-N 1 0 387.430 4.120 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181882275 822025485 /nfs/dbraw/zinc/02/54/85/822025485.db2.gz XAEPVXJFHBMBLB-OAHLLOKOSA-N 1 0 382.533 4.126 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181920052 822036653 /nfs/dbraw/zinc/03/66/53/822036653.db2.gz ZEDLEVZZPFLFFE-SFHVURJKSA-N 1 0 377.488 4.066 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182014259 822062646 /nfs/dbraw/zinc/06/26/46/822062646.db2.gz DUNLHWBIWOZIHL-GAJHUEQPSA-N 1 0 397.494 4.110 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 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397.350 4.149 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000064236924 823777770 /nfs/dbraw/zinc/77/77/70/823777770.db2.gz BCVMPMPKKITVIU-GCJKJVERSA-N 1 0 376.504 4.064 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000126080097 823781687 /nfs/dbraw/zinc/78/16/87/823781687.db2.gz BCKLBGQKYVVJTO-LJQANCHMSA-N 1 0 393.878 4.077 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(O)c(OC)c1 ZINC000164298025 823794205 /nfs/dbraw/zinc/79/42/05/823794205.db2.gz UBIZLNMVXUCZOU-UHFFFAOYSA-N 1 0 378.472 4.044 20 30 GIEDRO C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462025865 823800292 /nfs/dbraw/zinc/80/02/92/823800292.db2.gz GRQPIDIKGZRVFK-LJQANCHMSA-N 1 0 375.516 4.032 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462034254 823804552 /nfs/dbraw/zinc/80/45/52/823804552.db2.gz VOAKRKDVIVFMCE-KRWDZBQOSA-N 1 0 379.529 4.158 20 30 GIEDRO C=CCn1c(CCCc2cccs2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000574725979 823810726 /nfs/dbraw/zinc/81/07/26/823810726.db2.gz RPYACMWIEWYCAN-UHFFFAOYSA-N 1 0 387.597 4.012 20 30 GIEDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000126281000 823828600 /nfs/dbraw/zinc/82/86/00/823828600.db2.gz SUPYPUZYTWNHDS-AWEZNQCLSA-N 1 0 376.570 4.104 20 30 GIEDRO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000126371763 823850889 /nfs/dbraw/zinc/85/08/89/823850889.db2.gz MLWNPLBQCJAXSJ-UHFFFAOYSA-N 1 0 390.531 4.111 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)Nc3ccc(F)cc3)c2)c1 ZINC000064614654 823853000 /nfs/dbraw/zinc/85/30/00/823853000.db2.gz QTYFIQAZPSSLNS-UHFFFAOYSA-N 1 0 389.430 4.005 20 30 GIEDRO N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000574973569 823877538 /nfs/dbraw/zinc/87/75/38/823877538.db2.gz ZRWZIWYAKPWXNA-ACJLOTCBSA-N 1 0 398.919 4.188 20 30 GIEDRO C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462232564 823885854 /nfs/dbraw/zinc/88/58/54/823885854.db2.gz MOJLRPHWVZDAKY-XQBPLPMBSA-N 1 0 375.516 4.079 20 30 GIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126566815 823900657 /nfs/dbraw/zinc/90/06/57/823900657.db2.gz XFFGFGOHZZDYJN-INIZCTEOSA-N 1 0 384.911 4.046 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC000170687570 823939455 /nfs/dbraw/zinc/93/94/55/823939455.db2.gz OCNABEBNGRBDFW-GOSISDBHSA-N 1 0 380.467 4.040 20 30 GIEDRO COC(=O)CC[N@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000192330014 823947936 /nfs/dbraw/zinc/94/79/36/823947936.db2.gz VTOKPIVTNMMUOX-UHFFFAOYSA-N 1 0 381.314 4.144 20 30 GIEDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1 ZINC000462407636 823962785 /nfs/dbraw/zinc/96/27/85/823962785.db2.gz LMXOVLNOFRTNRT-PGRDOPGGSA-N 1 0 375.516 4.079 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192465714 824001687 /nfs/dbraw/zinc/00/16/87/824001687.db2.gz SBOLKYIMDCPFEI-UHFFFAOYSA-N 1 0 392.341 4.100 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000575818410 824002875 /nfs/dbraw/zinc/00/28/75/824002875.db2.gz JBIXGVGWDXMUCM-HSZRJFAPSA-N 1 0 386.495 4.110 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000575818411 824003133 /nfs/dbraw/zinc/00/31/33/824003133.db2.gz JBIXGVGWDXMUCM-QHCPKHFHSA-N 1 0 386.495 4.110 20 30 GIEDRO C[C@H](NC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000170907484 824003592 /nfs/dbraw/zinc/00/35/92/824003592.db2.gz QARFDKDSWOLCDH-XHDPSFHLSA-N 1 0 391.302 4.085 20 30 GIEDRO Cc1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1C#N ZINC000575834279 824007311 /nfs/dbraw/zinc/00/73/11/824007311.db2.gz JTJKINSHQNWZQM-INIZCTEOSA-N 1 0 375.444 4.024 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000170946175 824011013 /nfs/dbraw/zinc/01/10/13/824011013.db2.gz WGGKAZKIZQBXAX-NRFANRHFSA-N 1 0 384.520 4.426 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000170946213 824011434 /nfs/dbraw/zinc/01/14/34/824011434.db2.gz QZMZEFNTWONYNL-UHFFFAOYSA-N 1 0 398.934 4.228 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000171039156 824044473 /nfs/dbraw/zinc/04/44/73/824044473.db2.gz DNZYWJWJGAZCQC-QHCPKHFHSA-N 1 0 390.531 4.315 20 30 GIEDRO CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414904143 824047997 /nfs/dbraw/zinc/04/79/97/824047997.db2.gz LZVJRELEYCAQFP-GOSISDBHSA-N 1 0 382.895 4.211 20 30 GIEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414959890 824054249 /nfs/dbraw/zinc/05/42/49/824054249.db2.gz GAOMTBFDSRFUMX-SCLBCKFNSA-N 1 0 384.867 4.123 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC([NH3+])CC3)cc2Cl)cc1 ZINC000414961499 824054277 /nfs/dbraw/zinc/05/42/77/824054277.db2.gz ILUCAQIFLGXHBR-UHFFFAOYSA-N 1 0 384.867 4.395 20 30 GIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164419043 718891526 /nfs/dbraw/zinc/89/15/26/718891526.db2.gz PIQGHALPTYNQOG-CQSZACIVSA-N 1 0 389.277 4.163 20 30 GIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629951 719094934 /nfs/dbraw/zinc/09/49/34/719094934.db2.gz UMYGLFDUNJQARK-UPVQGACJSA-N 1 0 395.510 4.116 20 30 GIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164796395 721499996 /nfs/dbraw/zinc/49/99/96/721499996.db2.gz UEKPLVZBEKOKAG-UHFFFAOYSA-N 1 0 397.526 4.382 20 30 GIEDRO N#Cc1cccc(C2(NC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000570539891 823051581 /nfs/dbraw/zinc/05/15/81/823051581.db2.gz XYLIJFLWHWDNNJ-UHFFFAOYSA-N 1 0 388.515 4.033 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000120802806 823067479 /nfs/dbraw/zinc/06/74/79/823067479.db2.gz BJJFAGCHUGJGKT-FPOVZHCZSA-N 1 0 378.520 4.321 20 30 GIEDRO N#CCCn1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000120867972 823079646 /nfs/dbraw/zinc/07/96/46/823079646.db2.gz VEBFSSLWZVWDCD-UHFFFAOYSA-N 1 0 384.487 4.062 20 30 GIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153164 823090107 /nfs/dbraw/zinc/09/01/07/823090107.db2.gz BWPFUNNFWHLJOY-RTBURBONSA-N 1 0 393.531 4.403 20 30 GIEDRO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000056156220 823091352 /nfs/dbraw/zinc/09/13/52/823091352.db2.gz QXRLCOMRYHQVBJ-MOPGFXCFSA-N 1 0 390.531 4.049 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000176001201 823092676 /nfs/dbraw/zinc/09/26/76/823092676.db2.gz OJGIEFQSIYZXDM-SFHVURJKSA-N 1 0 379.529 4.039 20 30 GIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000187666319 823109289 /nfs/dbraw/zinc/10/92/89/823109289.db2.gz LNJIZCJTPSIXKI-SJLPKXTDSA-N 1 0 380.467 4.292 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)cc1 ZINC000571009108 823119418 /nfs/dbraw/zinc/11/94/18/823119418.db2.gz XBQACGDAIJADFH-UHFFFAOYSA-N 1 0 392.478 4.315 20 30 GIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121145091 823126735 /nfs/dbraw/zinc/12/67/35/823126735.db2.gz FCRVLKXSDAMJDP-QGZVFWFLSA-N 1 0 395.503 4.173 20 30 GIEDRO C=CCC1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000459116922 823129994 /nfs/dbraw/zinc/12/99/94/823129994.db2.gz YEUAUBKWVSDOPT-UHFFFAOYSA-N 1 0 375.479 4.181 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(C#N)cc1 ZINC000571156794 823142019 /nfs/dbraw/zinc/14/20/19/823142019.db2.gz WPNUDVYSHKHZFS-KBXCAEBGSA-N 1 0 378.426 4.366 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000571146144 823140384 /nfs/dbraw/zinc/14/03/84/823140384.db2.gz DRMDABABGJBHQP-KXBFYZLASA-N 1 0 382.895 4.117 20 30 GIEDRO N#Cc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000571309671 823163576 /nfs/dbraw/zinc/16/35/76/823163576.db2.gz BMNUYMOPQGXLHL-QZTJIDSGSA-N 1 0 393.231 4.219 20 30 GIEDRO N#Cc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000571309668 823163640 /nfs/dbraw/zinc/16/36/40/823163640.db2.gz BMNUYMOPQGXLHL-MSOLQXFVSA-N 1 0 393.231 4.219 20 30 GIEDRO C=CCC[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000121343575 823166687 /nfs/dbraw/zinc/16/66/87/823166687.db2.gz PKVKLKXAEZFICE-HXUWFJFHSA-N 1 0 386.517 4.112 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188000509 823169820 /nfs/dbraw/zinc/16/98/20/823169820.db2.gz JROYGUDLCUTSCO-HNNXBMFYSA-N 1 0 383.458 4.149 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000176285560 823172395 /nfs/dbraw/zinc/17/23/95/823172395.db2.gz IVTZLHZWZZSKEE-AWEZNQCLSA-N 1 0 389.952 4.135 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000176412590 823202764 /nfs/dbraw/zinc/20/27/64/823202764.db2.gz QOJXVSZAUSANCA-UHFFFAOYSA-N 1 0 389.499 4.263 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056813608 823218398 /nfs/dbraw/zinc/21/83/98/823218398.db2.gz PQIIQNZBUQSOSO-UHFFFAOYSA-N 1 0 381.495 4.319 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492104 823220071 /nfs/dbraw/zinc/22/00/71/823220071.db2.gz DXQZXLAWIKKHCN-UHFFFAOYSA-N 1 0 382.552 4.277 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056848185 823223216 /nfs/dbraw/zinc/22/32/16/823223216.db2.gz RSXIJSCNMMHJNO-UHFFFAOYSA-N 1 0 393.531 4.189 20 30 GIEDRO N#CCCn1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000459628259 823232374 /nfs/dbraw/zinc/23/23/74/823232374.db2.gz MDGOZHCQTNVDKN-UHFFFAOYSA-N 1 0 392.453 4.416 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1OC ZINC000459640984 823236029 /nfs/dbraw/zinc/23/60/29/823236029.db2.gz ACIIJHXFSUUSLY-LBPRGKRZSA-N 1 0 395.272 4.407 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c1 ZINC000459649781 823238862 /nfs/dbraw/zinc/23/88/62/823238862.db2.gz WAQYAFKYOIYJRB-SFTDATJTSA-N 1 0 392.547 4.335 20 30 GIEDRO CSC1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[NH+](C)CC1 ZINC000571930244 823256023 /nfs/dbraw/zinc/25/60/23/823256023.db2.gz NQHDHOKPWUDUAC-OAHLLOKOSA-N 1 0 392.594 4.030 20 30 GIEDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000057255117 823271717 /nfs/dbraw/zinc/27/17/17/823271717.db2.gz XSWRYCKNYZWMMN-UHFFFAOYSA-N 1 0 391.515 4.084 20 30 GIEDRO C=CCc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc(OC)c1O ZINC000572081809 823280141 /nfs/dbraw/zinc/28/01/41/823280141.db2.gz XNISVTSAZNGPDG-LJQANCHMSA-N 1 0 383.488 4.181 20 30 GIEDRO C=CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000188738762 823295475 /nfs/dbraw/zinc/29/54/75/823295475.db2.gz JLPFBORTVVOUFO-DEOSSOPVSA-N 1 0 392.543 4.383 20 30 GIEDRO N#CC1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000572202018 823298999 /nfs/dbraw/zinc/29/89/99/823298999.db2.gz RHEVWFYTRLSBKY-PHFCHIBXSA-N 1 0 394.563 4.012 20 30 GIEDRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000572221871 823303756 /nfs/dbraw/zinc/30/37/56/823303756.db2.gz YVVJFTCEGYTWBI-WCQYABFASA-N 1 0 388.562 4.189 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473384 823346356 /nfs/dbraw/zinc/34/63/56/823346356.db2.gz RYIKTDNXDREJNA-DYESRHJHSA-N 1 0 394.494 4.022 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)ccc1OC ZINC000057964581 823351241 /nfs/dbraw/zinc/35/12/41/823351241.db2.gz GIQSPSMUBJZKPZ-UHFFFAOYSA-N 1 0 381.520 4.325 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000057967580 823351345 /nfs/dbraw/zinc/35/13/45/823351345.db2.gz WVEAJEGNXJUFAN-LJQANCHMSA-N 1 0 396.531 4.338 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c1C#N ZINC000460350067 823360923 /nfs/dbraw/zinc/36/09/23/823360923.db2.gz JEPUAUVFZDIDSX-TZIWHRDSSA-N 1 0 396.535 4.361 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686757 818843589 /nfs/dbraw/zinc/84/35/89/818843589.db2.gz RRGSICUIYXKVKO-UHFFFAOYSA-O 1 0 385.553 4.219 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687838 818844362 /nfs/dbraw/zinc/84/43/62/818844362.db2.gz RPPLLGOCTKSEFU-UHFFFAOYSA-O 1 0 393.576 4.475 20 30 GIEDRO O=C(c1cc(F)ccc1F)C(C(=S)Nc1ccc(F)cc1)[n+]1ccccc1 ZINC000022730490 818851866 /nfs/dbraw/zinc/85/18/66/818851866.db2.gz AGYCERCSPFKECK-UHFFFAOYSA-O 1 0 387.406 4.442 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)(C)C)cc1)C(=S)NCCOC ZINC000022793205 818861249 /nfs/dbraw/zinc/86/12/49/818861249.db2.gz HGEGMEURMSCKKP-UHFFFAOYSA-O 1 0 399.580 4.009 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022804655 818862531 /nfs/dbraw/zinc/86/25/31/818862531.db2.gz RXIOWPQUCRYUMI-UHFFFAOYSA-O 1 0 398.596 4.276 20 30 GIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000023257251 818917547 /nfs/dbraw/zinc/91/75/47/818917547.db2.gz CBWMJYXOERUMJT-WQMHRJNTSA-N 1 0 395.572 4.115 20 30 GIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000024140482 819027386 /nfs/dbraw/zinc/02/73/86/819027386.db2.gz SOYOXNJWDZXJNY-UHFFFAOYSA-N 1 0 390.487 4.022 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)[NH+]1CCCCC1 ZINC000058451934 823393302 /nfs/dbraw/zinc/39/33/02/823393302.db2.gz SIZXJENKQYHGCV-OAQYLSRUSA-N 1 0 392.503 4.224 20 30 GIEDRO C=CCn1c(SC[C@@H](C)[NH+](C)C)nc2scc(-c3cccs3)c2c1=O ZINC000460438407 823389434 /nfs/dbraw/zinc/38/94/34/823389434.db2.gz SQDQJNRQKKZEBN-GFCCVEGCSA-N 1 0 391.587 4.415 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)c1cccc(OC)c1 ZINC000058453267 823393758 /nfs/dbraw/zinc/39/37/58/823393758.db2.gz CDNHBSTYHUQXSZ-NRFANRHFSA-N 1 0 380.492 4.080 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572804767 823402283 /nfs/dbraw/zinc/40/22/83/823402283.db2.gz WWMHPNNTPBRGGG-OAQYLSRUSA-N 1 0 376.504 4.291 20 30 GIEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000189391892 823406900 /nfs/dbraw/zinc/40/69/00/823406900.db2.gz UJPINYAQILDWSF-LBPRGKRZSA-N 1 0 381.398 4.253 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000572902107 823416702 /nfs/dbraw/zinc/41/67/02/823416702.db2.gz HRUGMUIYIRVOMC-LJQANCHMSA-N 1 0 383.495 4.457 20 30 GIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460554237 823430121 /nfs/dbraw/zinc/43/01/21/823430121.db2.gz CRGGZVDKXTXTPU-HXUWFJFHSA-N 1 0 397.567 4.143 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460556226 823431288 /nfs/dbraw/zinc/43/12/88/823431288.db2.gz SFSADHYZPWYXFA-WIYYLYMNSA-N 1 0 379.552 4.221 20 30 GIEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000026644922 820128050 /nfs/dbraw/zinc/12/80/50/820128050.db2.gz QBDSNEJDMIKACH-UHFFFAOYSA-N 1 0 389.499 4.099 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccccc2)c1 ZINC000027095365 820193916 /nfs/dbraw/zinc/19/39/16/820193916.db2.gz CMXKVXYDMOQUAQ-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(F)cc1F)[n+]1ccccc1 ZINC000027163120 820203397 /nfs/dbraw/zinc/20/33/97/820203397.db2.gz JGAAMMSBEOIJJP-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2ccccc2)c1 ZINC000027169064 820204444 /nfs/dbraw/zinc/20/44/44/820204444.db2.gz WYLUHZMUVKDUAV-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2cccc(OC)c2)[n+]2ccccc2)cc1 ZINC000027284132 820220661 /nfs/dbraw/zinc/22/06/61/820220661.db2.gz DGGBBBYSFMANIL-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(CC#N)cc1 ZINC000573206050 823465194 /nfs/dbraw/zinc/46/51/94/823465194.db2.gz PVYQANHKFOIDJB-AWEZNQCLSA-N 1 0 375.394 4.278 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NC2CCCCC2)cc1 ZINC000027460573 820247323 /nfs/dbraw/zinc/24/73/23/820247323.db2.gz MZLKBPQRINLDRY-UHFFFAOYSA-O 1 0 397.564 4.406 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(C)cc1 ZINC000027479062 820250077 /nfs/dbraw/zinc/25/00/77/820250077.db2.gz NSQLBNLZZKXHJX-UHFFFAOYSA-O 1 0 399.561 4.310 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc2c(c1)CCCC2 ZINC000027480952 820250095 /nfs/dbraw/zinc/25/00/95/820250095.db2.gz OWJJMBLUIASEDL-UHFFFAOYSA-O 1 0 399.605 4.134 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccccc2)cc1 ZINC000027486261 820251751 /nfs/dbraw/zinc/25/17/51/820251751.db2.gz MBPKURGTFGVQRH-YLJYHZDGSA-O 1 0 397.564 4.480 20 30 GIEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000027487569 820252036 /nfs/dbraw/zinc/25/20/36/820252036.db2.gz VZPGAYIXMAZZOO-PXNSSMCTSA-O 1 0 396.580 4.147 20 30 GIEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000027487039 820252107 /nfs/dbraw/zinc/25/21/07/820252107.db2.gz BXTVAPROVKHZSD-KBXCAEBGSA-O 1 0 389.491 4.359 20 30 GIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000410346697 823469350 /nfs/dbraw/zinc/46/93/50/823469350.db2.gz KFZVOVNZSQRAFU-QHCPKHFHSA-N 1 0 383.580 4.464 20 30 GIEDRO CCOc1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000573249644 823470482 /nfs/dbraw/zinc/47/04/82/823470482.db2.gz SPVXHCAZVWSQHO-UHFFFAOYSA-N 1 0 388.895 4.268 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000028955471 820377192 /nfs/dbraw/zinc/37/71/92/820377192.db2.gz VYYXYGGFLFSOGX-INIZCTEOSA-N 1 0 385.895 4.336 20 30 GIEDRO Cc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000029712114 820503706 /nfs/dbraw/zinc/50/37/06/820503706.db2.gz RNGFDTDZVSSVMX-UHFFFAOYSA-N 1 0 392.528 4.291 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000030532575 820634062 /nfs/dbraw/zinc/63/40/62/820634062.db2.gz DPHKFCMVXVJAGK-CYFREDJKSA-N 1 0 386.495 4.376 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc2ccccc2n1 ZINC000123326523 823496586 /nfs/dbraw/zinc/49/65/86/823496586.db2.gz MHMBUWWARLRNBE-UHFFFAOYSA-N 1 0 393.560 4.333 20 30 GIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000030953472 820710798 /nfs/dbraw/zinc/71/07/98/820710798.db2.gz HEMJUIWTMBVXOW-UHFFFAOYSA-N 1 0 379.529 4.315 20 30 GIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000031655188 820839756 /nfs/dbraw/zinc/83/97/56/820839756.db2.gz OOARXILZYDXWRC-GOSISDBHSA-N 1 0 390.531 4.226 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460792493 823513701 /nfs/dbraw/zinc/51/37/01/823513701.db2.gz IYLZEBCVOXYTRF-UHFFFAOYSA-N 1 0 379.552 4.284 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000123575746 823522987 /nfs/dbraw/zinc/52/29/87/823522987.db2.gz KBTPZFDVWZOPIE-UHFFFAOYSA-N 1 0 391.563 4.179 20 30 GIEDRO C=CCc1cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000190003788 823524403 /nfs/dbraw/zinc/52/44/03/823524403.db2.gz YWWBVADWCMUBJW-UHFFFAOYSA-N 1 0 390.524 4.009 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000177821989 823530968 /nfs/dbraw/zinc/53/09/68/823530968.db2.gz FURZTXXTEYJXRD-INIZCTEOSA-N 1 0 381.501 4.099 20 30 GIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000060474409 823531997 /nfs/dbraw/zinc/53/19/97/823531997.db2.gz ZYDZDRMXQWHHAF-HNNXBMFYSA-N 1 0 381.925 4.010 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482765 823533005 /nfs/dbraw/zinc/53/30/05/823533005.db2.gz WCEBMNORMHZOHW-UHFFFAOYSA-N 1 0 395.890 4.135 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000042510154 821309496 /nfs/dbraw/zinc/30/94/96/821309496.db2.gz UDZBQDGUOOVOFG-XMSQKQJNSA-N 1 0 379.504 4.317 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180767992 821443686 /nfs/dbraw/zinc/44/36/86/821443686.db2.gz WDFSRWQOUCSPER-UHFFFAOYSA-N 1 0 381.907 4.099 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)ccc1OC ZINC000180810341 821471623 /nfs/dbraw/zinc/47/16/23/821471623.db2.gz PPECWNQTCMOTQR-LPHOPBHVSA-N 1 0 396.487 4.216 20 30 GIEDRO C=C(C)CNC(=S)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000044133647 821530447 /nfs/dbraw/zinc/53/04/47/821530447.db2.gz RVBBIGPHPIWHNG-UHFFFAOYSA-N 1 0 394.588 4.180 20 30 GIEDRO CC(C)(C)OC(=O)NC1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000180926042 821542030 /nfs/dbraw/zinc/54/20/30/821542030.db2.gz QGGXOPIIBIYUNK-UHFFFAOYSA-N 1 0 396.453 4.482 20 30 GIEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214786 821701427 /nfs/dbraw/zinc/70/14/27/821701427.db2.gz ORVOAWMVPWQBLA-OAHLLOKOSA-N 1 0 390.405 4.072 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000181301390 821743302 /nfs/dbraw/zinc/74/33/02/821743302.db2.gz MQNKUZRKNNEVGF-IBGZPJMESA-N 1 0 384.483 4.346 20 30 GIEDRO COc1ccc([C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000181424555 821819497 /nfs/dbraw/zinc/81/94/97/821819497.db2.gz WRIBLMHWNJJBRB-XMMPIXPASA-N 1 0 375.516 4.272 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Br)cs3)CC2)cc1 ZINC000181523686 821865943 /nfs/dbraw/zinc/86/59/43/821865943.db2.gz JXIPSCMJSGESRT-UHFFFAOYSA-N 1 0 390.350 4.136 20 30 GIEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573045 821884853 /nfs/dbraw/zinc/88/48/53/821884853.db2.gz DJAVWYLOVRIEDP-APWZRJJASA-N 1 0 381.476 4.056 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000181589716 821892634 /nfs/dbraw/zinc/89/26/34/821892634.db2.gz MPNKUDLJJRANIJ-KBPBESRZSA-N 1 0 399.466 4.374 20 30 GIEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000181892589 822028915 /nfs/dbraw/zinc/02/89/15/822028915.db2.gz RGXLADXPPFXGMS-UHFFFAOYSA-N 1 0 384.455 4.294 20 30 GIEDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2)n1 ZINC000181934194 822039619 /nfs/dbraw/zinc/03/96/19/822039619.db2.gz KUTGJZVNNIGXMB-INIZCTEOSA-N 1 0 376.460 4.095 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181957850 822045742 /nfs/dbraw/zinc/04/57/42/822045742.db2.gz QVVBGJDJHHSVAN-CQSZACIVSA-N 1 0 386.293 4.309 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181957897 822045866 /nfs/dbraw/zinc/04/58/66/822045866.db2.gz XMLXEPHVOAJOQT-CQSZACIVSA-N 1 0 386.293 4.309 20 30 GIEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000182011662 822061676 /nfs/dbraw/zinc/06/16/76/822061676.db2.gz FHKZNRWHKAJFSM-QZTJIDSGSA-N 1 0 379.504 4.265 20 30 GIEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182059262 822077678 /nfs/dbraw/zinc/07/76/78/822077678.db2.gz YLYSYJJQCQLYEP-SFHVURJKSA-N 1 0 377.488 4.154 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000178033882 822291503 /nfs/dbraw/zinc/29/15/03/822291503.db2.gz LHZUWPSMSQJMDB-SFHVURJKSA-N 1 0 378.476 4.156 20 30 GIEDRO C=CC[NH+]1CCC(N[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000182640332 822335211 /nfs/dbraw/zinc/33/52/11/822335211.db2.gz FZSQFRJDBLNYAQ-LJQANCHMSA-N 1 0 375.310 4.372 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1OC ZINC000453581181 822387955 /nfs/dbraw/zinc/38/79/55/822387955.db2.gz LYSCXZVKTCKVKD-AWEZNQCLSA-N 1 0 398.341 4.317 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178680071 822402159 /nfs/dbraw/zinc/40/21/59/822402159.db2.gz CZVFFSLYNKYCCA-QZTJIDSGSA-N 1 0 394.475 4.198 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683037 822402750 /nfs/dbraw/zinc/40/27/50/822402750.db2.gz OCGIZUNZLDZNRN-HZPDHXFCSA-N 1 0 398.438 4.028 20 30 GIEDRO N#CCC[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178800500 822411506 /nfs/dbraw/zinc/41/15/06/822411506.db2.gz BXLRITXPOOAWHM-QHCPKHFHSA-N 1 0 390.531 4.243 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111490 822425808 /nfs/dbraw/zinc/42/58/08/822425808.db2.gz CSDIYQPCNYVNQG-UUOWRZLLSA-N 1 0 396.494 4.466 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000183332921 822460220 /nfs/dbraw/zinc/46/02/20/822460220.db2.gz RVVWPMMEYWADRP-QFIPXVFZSA-N 1 0 394.950 4.045 20 30 GIEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000454481120 822482227 /nfs/dbraw/zinc/48/22/27/822482227.db2.gz IAYSKQGRFPKSMT-SFHVURJKSA-N 1 0 384.911 4.457 20 30 GIEDRO C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000179552952 822502225 /nfs/dbraw/zinc/50/22/25/822502225.db2.gz QVKHIAKDXYIFFK-HUVFLSCGSA-N 1 0 397.607 4.142 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183626124 822502968 /nfs/dbraw/zinc/50/29/68/822502968.db2.gz LBUHSULFNBSIFH-QGZVFWFLSA-N 1 0 396.491 4.342 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000183731602 822518075 /nfs/dbraw/zinc/51/80/75/822518075.db2.gz IZKOQPMIUVNOJS-GFCCVEGCSA-N 1 0 382.514 4.341 20 30 GIEDRO C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454724998 822523781 /nfs/dbraw/zinc/52/37/81/822523781.db2.gz UUMHOIMWKRJCER-NFBKMPQASA-N 1 0 390.531 4.195 20 30 GIEDRO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179740086 822540015 /nfs/dbraw/zinc/54/00/15/822540015.db2.gz HOPJIYIGLLRHAS-UHFFFAOYSA-N 1 0 390.531 4.145 20 30 GIEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000179843452 822564839 /nfs/dbraw/zinc/56/48/39/822564839.db2.gz GSAOJNFKKNCYLI-QFBILLFUSA-N 1 0 376.460 4.051 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001337 822593442 /nfs/dbraw/zinc/59/34/42/822593442.db2.gz MTFACXWJHSLBCC-FDDCHVKYSA-N 1 0 388.515 4.005 20 30 GIEDRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000047699436 822600750 /nfs/dbraw/zinc/60/07/50/822600750.db2.gz IUIOIMJAFQZSAK-UHFFFAOYSA-N 1 0 385.467 4.385 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccnc3-n3ccnc3)c2)c1 ZINC000047701376 822601016 /nfs/dbraw/zinc/60/10/16/822601016.db2.gz ILTKEOUWUXPKCQ-UHFFFAOYSA-N 1 0 395.466 4.008 20 30 GIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180034560 822601845 /nfs/dbraw/zinc/60/18/45/822601845.db2.gz RUODHLWZVCDFHA-NRFANRHFSA-N 1 0 377.488 4.049 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000180037510 822602169 /nfs/dbraw/zinc/60/21/69/822602169.db2.gz ACWVJVLAZJAJBL-SJORKVTESA-N 1 0 380.492 4.228 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000184299539 822610829 /nfs/dbraw/zinc/61/08/29/822610829.db2.gz MUOREFIJSMDNDB-OALUTQOASA-N 1 0 398.551 4.486 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000180089567 822613092 /nfs/dbraw/zinc/61/30/92/822613092.db2.gz KFPUGQAXUAEKFJ-MOPGFXCFSA-N 1 0 392.503 4.106 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000184320023 822614340 /nfs/dbraw/zinc/61/43/40/822614340.db2.gz BKKUBCHBWMMSOR-GJZGRUSLSA-N 1 0 377.444 4.299 20 30 GIEDRO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000180148868 822626901 /nfs/dbraw/zinc/62/69/01/822626901.db2.gz NMLCHGSZNOIBIM-LJQANCHMSA-N 1 0 377.517 4.233 20 30 GIEDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(OCC#N)cc1 ZINC000180160359 822629595 /nfs/dbraw/zinc/62/95/95/822629595.db2.gz BXMKZUAWSLSSJS-LJQANCHMSA-N 1 0 390.531 4.294 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455445948 822655609 /nfs/dbraw/zinc/65/56/09/822655609.db2.gz ZRXNSSKWVONTCF-QFIPXVFZSA-N 1 0 381.564 4.242 20 30 GIEDRO Cn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180355291 822669242 /nfs/dbraw/zinc/66/92/42/822669242.db2.gz HDHIEUQJJGCFJB-UHFFFAOYSA-N 1 0 385.515 4.209 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000180362830 822670693 /nfs/dbraw/zinc/67/06/93/822670693.db2.gz CWCJSKJHFHHUQQ-DYESRHJHSA-N 1 0 382.504 4.376 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180410975 822677309 /nfs/dbraw/zinc/67/73/09/822677309.db2.gz XYWPPZPSBSCBPV-GJZGRUSLSA-N 1 0 398.488 4.278 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000048713581 822679402 /nfs/dbraw/zinc/67/94/02/822679402.db2.gz XHXDIRYCICLVTP-LJQANCHMSA-N 1 0 387.405 4.030 20 30 GIEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455704774 822707745 /nfs/dbraw/zinc/70/77/45/822707745.db2.gz OCHHXXKXRUOODT-UHFFFAOYSA-N 1 0 376.932 4.382 20 30 GIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccccc2)n1 ZINC000180601449 822709210 /nfs/dbraw/zinc/70/92/10/822709210.db2.gz LJRWQGCBUSNJTO-SFTDATJTSA-N 1 0 390.487 4.145 20 30 GIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455709852 822709422 /nfs/dbraw/zinc/70/94/22/822709422.db2.gz VRNTVYFQSRHGNC-HZPDHXFCSA-N 1 0 376.932 4.286 20 30 GIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)cc1 ZINC000455735235 822716934 /nfs/dbraw/zinc/71/69/34/822716934.db2.gz QEBSKCSJGJTDBA-SFHVURJKSA-N 1 0 391.302 4.484 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c(C#N)c1C ZINC000184980514 822721260 /nfs/dbraw/zinc/72/12/60/822721260.db2.gz DHNHCIWBPLUMBV-GOSISDBHSA-N 1 0 379.485 4.342 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000455766099 822722452 /nfs/dbraw/zinc/72/24/52/822722452.db2.gz HTCGTZYQQVZALN-OXJNMPFZSA-N 1 0 396.535 4.216 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455777253 822724518 /nfs/dbraw/zinc/72/45/18/822724518.db2.gz GBSGDXYOWITUTL-CRAIPNDOSA-N 1 0 397.910 4.123 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000455776720 822724525 /nfs/dbraw/zinc/72/45/25/822724525.db2.gz SIIBRVJNVUSHBQ-INIZCTEOSA-N 1 0 384.524 4.074 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455900453 822744869 /nfs/dbraw/zinc/74/48/69/822744869.db2.gz FXYUTPVDBGEWAA-NRFANRHFSA-N 1 0 394.475 4.364 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455932573 822752141 /nfs/dbraw/zinc/75/21/41/822752141.db2.gz QBKIYSKIJJNOAM-HXUWFJFHSA-N 1 0 393.491 4.187 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000456000987 822764484 /nfs/dbraw/zinc/76/44/84/822764484.db2.gz LSAKZOKXARXQHF-AVRDEDQJSA-N 1 0 376.504 4.384 20 30 GIEDRO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000185359966 822771333 /nfs/dbraw/zinc/77/13/33/822771333.db2.gz XBAKFZOSCNFPEP-UHFFFAOYSA-N 1 0 389.421 4.146 20 30 GIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000174403274 822785326 /nfs/dbraw/zinc/78/53/26/822785326.db2.gz QUNXYUPWBUCTTM-UHFFFAOYSA-N 1 0 376.485 4.164 20 30 GIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456255605 822790556 /nfs/dbraw/zinc/79/05/56/822790556.db2.gz CIBUQKHFHKPOPJ-UNMCSNQZSA-N 1 0 377.488 4.149 20 30 GIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(C#N)c3Br)ccc21 ZINC000456269412 822792061 /nfs/dbraw/zinc/79/20/61/822792061.db2.gz UIVWRPVJLYAUJI-QGZVFWFLSA-N 1 0 384.277 4.122 20 30 GIEDRO Cc1nc(SCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C#N)c(C)c1C ZINC000456272860 822792307 /nfs/dbraw/zinc/79/23/07/822792307.db2.gz LPUOQJYEBQDOKK-FQEVSTJZSA-N 1 0 394.544 4.158 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)Nc2ccccc2F)c1 ZINC000185573191 822798055 /nfs/dbraw/zinc/79/80/55/822798055.db2.gz CPUNWEQZXLARBJ-UHFFFAOYSA-O 1 0 390.463 4.344 20 30 GIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2)cc1 ZINC000174552926 822804231 /nfs/dbraw/zinc/80/42/31/822804231.db2.gz SICMRSUMABNHSO-HXUWFJFHSA-N 1 0 389.499 4.299 20 30 GIEDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000052674992 822807125 /nfs/dbraw/zinc/80/71/25/822807125.db2.gz FPWUBVPBIZYACC-UHFFFAOYSA-N 1 0 375.428 4.044 20 30 GIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C2CC2)cc1 ZINC000052774532 822810178 /nfs/dbraw/zinc/81/01/78/822810178.db2.gz MGGCMHJZCKMUBQ-OAHLLOKOSA-N 1 0 383.517 4.258 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000053086093 822820895 /nfs/dbraw/zinc/82/08/95/822820895.db2.gz ZXEQREVKAGEZPA-AWEZNQCLSA-N 1 0 391.899 4.448 20 30 GIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000185788530 822821317 /nfs/dbraw/zinc/82/13/17/822821317.db2.gz FEMZTULZXFRGKJ-YJBOKZPZSA-N 1 0 377.326 4.169 20 30 GIEDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000185890014 822830439 /nfs/dbraw/zinc/83/04/39/822830439.db2.gz MDOOSPPUSIQEPY-GOSISDBHSA-N 1 0 385.895 4.016 20 30 GIEDRO C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)OCC ZINC000456793264 822831487 /nfs/dbraw/zinc/83/14/87/822831487.db2.gz QBNDMXYDFMRMSB-IBGZPJMESA-N 1 0 380.916 4.123 20 30 GIEDRO CCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1O ZINC000174840311 822844835 /nfs/dbraw/zinc/84/48/35/822844835.db2.gz ZFPNVNIPNUZTLP-UHFFFAOYSA-N 1 0 375.472 4.355 20 30 GIEDRO CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000053976566 822855165 /nfs/dbraw/zinc/85/51/65/822855165.db2.gz QHUOSWUCCMKQSF-QHCPKHFHSA-N 1 0 390.531 4.317 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)ccc1OC ZINC000186383187 822885707 /nfs/dbraw/zinc/88/57/07/822885707.db2.gz FRZBHMJGPTUSJL-LJQANCHMSA-N 1 0 396.487 4.311 20 30 GIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000569364739 822911532 /nfs/dbraw/zinc/91/15/32/822911532.db2.gz UFBBDYIUTQVMIC-ZDUSSCGKSA-N 1 0 385.393 4.345 20 30 GIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccccc2C)[n+]2cccc(CO)c2)c1 ZINC000055011637 822930937 /nfs/dbraw/zinc/93/09/37/822930937.db2.gz PKKJUXQYADTCAO-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=S)NC ZINC000055012538 822930940 /nfs/dbraw/zinc/93/09/40/822930940.db2.gz OPONLZAXTWMDKZ-UHFFFAOYSA-O 1 0 387.528 4.266 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccccc2)s1 ZINC000055013873 822931220 /nfs/dbraw/zinc/93/12/20/822931220.db2.gz DBVRXRHBBMVQIQ-UHFFFAOYSA-O 1 0 378.502 4.267 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1ccc(N(C)C)cc1 ZINC000055013032 822931236 /nfs/dbraw/zinc/93/12/36/822931236.db2.gz FDJWPQRHQRICTA-UHFFFAOYSA-O 1 0 396.580 4.210 20 30 GIEDRO CCC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000055294192 822950174 /nfs/dbraw/zinc/95/01/74/822950174.db2.gz BPSLORLYTJBWNM-QHCPKHFHSA-N 1 0 375.516 4.176 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000175381487 822952965 /nfs/dbraw/zinc/95/29/65/822952965.db2.gz CYEFVFLQZTXQPJ-QKLQHJQFSA-O 1 0 397.539 4.447 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000458169056 822964643 /nfs/dbraw/zinc/96/46/43/822964643.db2.gz FDQNGEREUBHOHH-IBGZPJMESA-N 1 0 393.556 4.312 20 30 GIEDRO N#Cc1c(NCC2CC[NH+](Cc3cccs3)CC2)nc2cc(Cl)ccn12 ZINC000569797597 822970299 /nfs/dbraw/zinc/97/02/99/822970299.db2.gz WMTIFJFTGUVZBE-UHFFFAOYSA-N 1 0 385.924 4.245 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C)cc1 ZINC000186978890 822991228 /nfs/dbraw/zinc/99/12/28/822991228.db2.gz CBTQYJUKRHJOGK-UHFFFAOYSA-O 1 0 377.480 4.278 20 30 GIEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(SCC#N)c3)c(C)c2)CC1 ZINC000175531655 822991871 /nfs/dbraw/zinc/99/18/71/822991871.db2.gz LMORTVMRJAVMLF-UHFFFAOYSA-N 1 0 394.544 4.005 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC(C)(C)CC)cc1 ZINC000186982343 822991958 /nfs/dbraw/zinc/99/19/58/822991958.db2.gz YFQLKXSGOLKMKP-UHFFFAOYSA-O 1 0 397.564 4.188 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000570138772 823009637 /nfs/dbraw/zinc/00/96/37/823009637.db2.gz IOXGNBQOXMPKRF-INIZCTEOSA-N 1 0 380.517 4.173 20 30 GIEDRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000570247595 823019001 /nfs/dbraw/zinc/01/90/01/823019001.db2.gz HCJYLFCMIJMAKZ-HNNXBMFYSA-N 1 0 389.421 4.469 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187162748 823019477 /nfs/dbraw/zinc/01/94/77/823019477.db2.gz DSYFYDSEJWAXIV-CVDCTZTESA-N 1 0 387.527 4.101 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1C ZINC000175711027 823025168 /nfs/dbraw/zinc/02/51/68/823025168.db2.gz FUZYVNKJIQRGSG-LPHOPBHVSA-N 1 0 378.476 4.297 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000060575930 823544030 /nfs/dbraw/zinc/54/40/30/823544030.db2.gz CUHVNUOPSQEOLT-UHFFFAOYSA-N 1 0 381.545 4.093 20 30 GIEDRO C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460959340 823550940 /nfs/dbraw/zinc/55/09/40/823550940.db2.gz MSHPSUOECULHQF-UHFFFAOYSA-N 1 0 389.547 4.130 20 30 GIEDRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000411385015 823568345 /nfs/dbraw/zinc/56/83/45/823568345.db2.gz WLMIXUKRZNAWBR-LJQANCHMSA-N 1 0 382.533 4.127 20 30 GIEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCCCC1 ZINC000060958695 823569446 /nfs/dbraw/zinc/56/94/46/823569446.db2.gz USOBIJNYVPJJDA-UHFFFAOYSA-N 1 0 377.532 4.491 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)c(F)c1 ZINC000411473826 823578889 /nfs/dbraw/zinc/57/88/89/823578889.db2.gz KOWYBFROFNVFJM-UHFFFAOYSA-N 1 0 389.471 4.240 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000124228696 823579182 /nfs/dbraw/zinc/57/91/82/823579182.db2.gz YADFYYPTRKHTLL-HXUWFJFHSA-N 1 0 385.895 4.336 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000411475351 823579321 /nfs/dbraw/zinc/57/93/21/823579321.db2.gz NAEIGBAOLNRNCS-IIBYNOLFSA-N 1 0 397.906 4.298 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517595 823583411 /nfs/dbraw/zinc/58/34/11/823583411.db2.gz GHTWGAUWJGMVNR-CXAGYDPISA-N 1 0 395.484 4.139 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528927 823585205 /nfs/dbraw/zinc/58/52/05/823585205.db2.gz HSAKRSDQHXFZAN-CZUORRHYSA-N 1 0 395.484 4.221 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411539623 823586511 /nfs/dbraw/zinc/58/65/11/823586511.db2.gz FPKIRUPVTLULHC-ZDUSSCGKSA-N 1 0 387.915 4.151 20 30 GIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614092 823591836 /nfs/dbraw/zinc/59/18/36/823591836.db2.gz HILNVYRKEFMWJY-GAJHUEQPSA-N 1 0 399.494 4.172 20 30 GIEDRO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627041 823593290 /nfs/dbraw/zinc/59/32/90/823593290.db2.gz QAFZHTNIZCXISU-FDDCHVKYSA-N 1 0 391.515 4.045 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C#N ZINC000190707443 823600549 /nfs/dbraw/zinc/60/05/49/823600549.db2.gz LRUUGMCVBXVUAC-UHFFFAOYSA-N 1 0 385.446 4.178 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000461272254 823610123 /nfs/dbraw/zinc/61/01/23/823610123.db2.gz OPBUCJXLNLVJSO-FQEVSTJZSA-N 1 0 377.488 4.297 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000062369888 823630244 /nfs/dbraw/zinc/63/02/44/823630244.db2.gz OXQGAPWPCNMLLD-UHFFFAOYSA-N 1 0 391.302 4.461 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000412194744 823634555 /nfs/dbraw/zinc/63/45/55/823634555.db2.gz ONLXPPUPKFWUPG-CXSMSNRLSA-N 1 0 399.538 4.175 20 30 GIEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)[NH+]2CCCCC2)cc1 ZINC000125319308 823667581 /nfs/dbraw/zinc/66/75/81/823667581.db2.gz OLWNZOJICZEIAE-QFIPXVFZSA-N 1 0 392.503 4.110 20 30 GIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)cc1 ZINC000125367210 823671013 /nfs/dbraw/zinc/67/10/13/823671013.db2.gz NXGZWJYNMMEDTA-GAJHUEQPSA-N 1 0 380.488 4.244 20 30 GIEDRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739953 823689874 /nfs/dbraw/zinc/68/98/74/823689874.db2.gz ZFFHOKVUGPORLY-PXNSSMCTSA-N 1 0 381.545 4.313 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000191505083 823692684 /nfs/dbraw/zinc/69/26/84/823692684.db2.gz WGDTWQUYMQIMLP-UHFFFAOYSA-N 1 0 394.519 4.296 20 30 GIEDRO CC(C)[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063751226 823693580 /nfs/dbraw/zinc/69/35/80/823693580.db2.gz JZIAKMXWPRKJOP-HSZRJFAPSA-N 1 0 375.516 4.305 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191515011 823694198 /nfs/dbraw/zinc/69/41/98/823694198.db2.gz AOOOGEGCITTZME-IBGZPJMESA-N 1 0 385.552 4.115 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063774982 823694876 /nfs/dbraw/zinc/69/48/76/823694876.db2.gz RGGVXOOEMSTZBJ-QHCPKHFHSA-N 1 0 398.506 4.435 20 30 GIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000574320664 823702232 /nfs/dbraw/zinc/70/22/32/823702232.db2.gz WKQUKPHOBGIESC-RQOWECAXSA-N 1 0 381.426 4.200 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000461908270 823749160 /nfs/dbraw/zinc/74/91/60/823749160.db2.gz DGUYZUPVWYDGIG-OALUTQOASA-N 1 0 375.516 4.353 20 30 GIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1-n1cccn1 ZINC000191821055 823782254 /nfs/dbraw/zinc/78/22/54/823782254.db2.gz JAYBBVPFUAUVIB-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000462077908 823821209 /nfs/dbraw/zinc/82/12/09/823821209.db2.gz ZEXIBYXSXKKHDR-OAQYLSRUSA-N 1 0 393.531 4.479 20 30 GIEDRO CCC(CC)[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000165342836 823844402 /nfs/dbraw/zinc/84/44/02/823844402.db2.gz APTZURYGTQCJAW-UHFFFAOYSA-N 1 0 382.508 4.209 20 30 GIEDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000126395989 823856685 /nfs/dbraw/zinc/85/66/85/823856685.db2.gz YGQSVMWASHLDFZ-INIZCTEOSA-N 1 0 398.576 4.037 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F ZINC000192097326 823859124 /nfs/dbraw/zinc/85/91/24/823859124.db2.gz KQAPKPKIIFSVJQ-QGZVFWFLSA-N 1 0 380.398 4.266 20 30 GIEDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462200913 823867148 /nfs/dbraw/zinc/86/71/48/823867148.db2.gz ICZDKSMWRPIHMT-ZWKOTPCHSA-N 1 0 377.488 4.021 20 30 GIEDRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462200911 823867205 /nfs/dbraw/zinc/86/72/05/823867205.db2.gz ICZDKSMWRPIHMT-QZTJIDSGSA-N 1 0 377.488 4.021 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000064742890 823877740 /nfs/dbraw/zinc/87/77/40/823877740.db2.gz JITCVNGXNBQKCR-QGZVFWFLSA-N 1 0 392.503 4.263 20 30 GIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C2CC2)C2CCCC2)c1C#N ZINC000064808611 823889216 /nfs/dbraw/zinc/88/92/16/823889216.db2.gz KIBMUWMBPZQSGY-UHFFFAOYSA-N 1 0 390.531 4.370 20 30 GIEDRO CCC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000462260190 823902902 /nfs/dbraw/zinc/90/29/02/823902902.db2.gz RZNBJZYMNQIGTP-FQEVSTJZSA-N 1 0 389.543 4.470 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000126756397 823942750 /nfs/dbraw/zinc/94/27/50/823942750.db2.gz PGQWQXHVPVPNCK-UHFFFAOYSA-N 1 0 377.872 4.263 20 30 GIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCCc3c(O)cccc32)sc2c1CCCC2 ZINC000192346373 823954594 /nfs/dbraw/zinc/95/45/94/823954594.db2.gz PSUKOWBMBNLWBB-SFHVURJKSA-N 1 0 395.528 4.200 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192351669 823955995 /nfs/dbraw/zinc/95/59/95/823955995.db2.gz QNTDTTFFMJMNNP-QAPCUYQASA-N 1 0 395.528 4.392 20 30 GIEDRO CCc1nc(CN2CCC(C[NH2+]C3CC(C#N)(c4ccccc4)C3)CC2)cs1 ZINC000126865032 823969508 /nfs/dbraw/zinc/96/95/08/823969508.db2.gz BJISCGSQRIQNKL-UHFFFAOYSA-N 1 0 394.588 4.131 20 30 GIEDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462434492 823973732 /nfs/dbraw/zinc/97/37/32/823973732.db2.gz CXGKXLDESBWSIV-KNQAVFIVSA-N 1 0 375.516 4.080 20 30 GIEDRO N#CCCn1cc(/C=C/c2nc(CC34CCC[NH+]3CCC4)no2)c2ccccc21 ZINC000575783736 823994078 /nfs/dbraw/zinc/99/40/78/823994078.db2.gz IFFYUMOTZHZBFJ-CMDGGOBGSA-N 1 0 387.487 4.279 20 30 GIEDRO N#CCCn1cc(/C=C\c2nc(CC34CCC[NH+]3CCC4)no2)c2ccccc21 ZINC000575783740 823994090 /nfs/dbraw/zinc/99/40/90/823994090.db2.gz IFFYUMOTZHZBFJ-HJWRWDBZSA-N 1 0 387.487 4.279 20 30 GIEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000127075997 824012426 /nfs/dbraw/zinc/01/24/26/824012426.db2.gz JSMRQAXHQZPSAD-IBGZPJMESA-N 1 0 384.479 4.194 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000575918344 824029733 /nfs/dbraw/zinc/02/97/33/824029733.db2.gz MZKMPQPXGPPCAE-UHFFFAOYSA-N 1 0 394.544 4.102 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000575958955 824037858 /nfs/dbraw/zinc/03/78/58/824037858.db2.gz CQHFEHJEKOJAGP-HXUWFJFHSA-N 1 0 380.467 4.120 20 30 GIEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2ccccc2)c1 ZINC000171022791 824040171 /nfs/dbraw/zinc/04/01/71/824040171.db2.gz QRMJMPADGBHUIO-UHFFFAOYSA-O 1 0 387.484 4.015 20 30 GIEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903040 824048067 /nfs/dbraw/zinc/04/80/67/824048067.db2.gz KYUVMHYWZQLHIL-IEBWSBKVSA-N 1 0 382.895 4.211 20 30 GIEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414959995 824054285 /nfs/dbraw/zinc/05/42/85/824054285.db2.gz GPSVIAQYJXMGHI-OAHLLOKOSA-N 1 0 384.867 4.077 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)sc2c1CCCC2 ZINC000011218975 221113762 /nfs/dbraw/zinc/11/37/62/221113762.db2.gz BJKJHWAQGDCMBH-GFCCVEGCSA-N 1 0 385.455 4.101 20 30 GIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627253 719078772 /nfs/dbraw/zinc/07/87/72/719078772.db2.gz QAVHIMBXAOZRCJ-YJBOKZPZSA-N 1 0 387.314 4.361 20 30 GIEDRO N#Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl ZINC001164623339 719108643 /nfs/dbraw/zinc/10/86/43/719108643.db2.gz CMLJLMRSZFIYQS-KXBFYZLASA-N 1 0 387.314 4.361 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(Cl)c(C#N)n2)CC3)cs1 ZINC001164693420 719804941 /nfs/dbraw/zinc/80/49/41/719804941.db2.gz SRZQDKPBQLXYLP-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(F)c4C#N)CC3)CC2)cc1 ZINC001164760595 721044924 /nfs/dbraw/zinc/04/49/24/721044924.db2.gz XHNJSCPJYNUCFU-UHFFFAOYSA-N 1 0 378.495 4.283 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021515 721802889 /nfs/dbraw/zinc/80/28/89/721802889.db2.gz HKXRZSWNFPCYHF-IEIRFRATSA-N 1 0 389.547 4.209 20 30 GIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[NH+](C2CCCC2)CC1 ZINC001165033457 721863190 /nfs/dbraw/zinc/86/31/90/721863190.db2.gz PJFSXVMHKQUHBK-UHFFFAOYSA-N 1 0 375.303 4.478 20 30 GIEDRO C=CC[NH+]1CCN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)CC1 ZINC001165032445 721869053 /nfs/dbraw/zinc/86/90/53/721869053.db2.gz SKQQVSSFZOVOPZ-UHFFFAOYSA-N 1 0 399.922 4.146 20 30 GIEDRO N#C[C@@H](c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nn1)c1ccccc1F ZINC001165050455 721972876 /nfs/dbraw/zinc/97/28/76/721972876.db2.gz YFLXHIHAOQANDK-AZUAARDMSA-N 1 0 393.510 4.116 20 30 GIEDRO N#Cc1c2c(cnc1N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCCC2 ZINC001164996970 722213454 /nfs/dbraw/zinc/21/34/54/722213454.db2.gz PNVOHBSEBPGCEH-XMMPIXPASA-N 1 0 390.506 4.216 20 30 GIEDRO C[C@@H](NC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1 ZINC000570487974 823044957 /nfs/dbraw/zinc/04/49/57/823044957.db2.gz FKVKAGYSJXIUMC-JPYJTQIMSA-N 1 0 375.516 4.035 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000120895420 823083279 /nfs/dbraw/zinc/08/32/79/823083279.db2.gz JWZVFHFRJRYEIU-HNNXBMFYSA-N 1 0 379.342 4.099 20 30 GIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](CCCC#N)c2ccccc2)o1 ZINC000458799910 823087538 /nfs/dbraw/zinc/08/75/38/823087538.db2.gz KJPNZNXZYQOFLW-OAQYLSRUSA-N 1 0 382.508 4.096 20 30 GIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](CCCC#N)c2ccccc2)o1 ZINC000458799909 823087612 /nfs/dbraw/zinc/08/76/12/823087612.db2.gz KJPNZNXZYQOFLW-NRFANRHFSA-N 1 0 382.508 4.096 20 30 GIEDRO CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458799967 823087666 /nfs/dbraw/zinc/08/76/66/823087666.db2.gz KSVHJLRAYZUSIK-PKTZIBPZSA-N 1 0 390.531 4.337 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)c1C ZINC000120959020 823093137 /nfs/dbraw/zinc/09/31/37/823093137.db2.gz NWMFLSLCKHLZLK-QFIPXVFZSA-N 1 0 378.520 4.240 20 30 GIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000120978232 823096311 /nfs/dbraw/zinc/09/63/11/823096311.db2.gz WEGVOCGXTGDLEF-AEFFLSMTSA-N 1 0 387.549 4.074 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000570859451 823097411 /nfs/dbraw/zinc/09/74/11/823097411.db2.gz RNSGWCREQFGPSO-CQSZACIVSA-N 1 0 375.925 4.481 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)cc1 ZINC000176033800 823101757 /nfs/dbraw/zinc/10/17/57/823101757.db2.gz FBOZNSXUFKETJX-NRFANRHFSA-N 1 0 379.529 4.178 20 30 GIEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459109281 823128649 /nfs/dbraw/zinc/12/86/49/823128649.db2.gz DVNLMNPAALWIQF-DYESRHJHSA-N 1 0 394.494 4.064 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056346059 823132084 /nfs/dbraw/zinc/13/20/84/823132084.db2.gz SZJIKPVWYFWKHK-UHFFFAOYSA-N 1 0 393.531 4.057 20 30 GIEDRO N#Cc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(C(F)(F)F)c1 ZINC000571216089 823150096 /nfs/dbraw/zinc/15/00/96/823150096.db2.gz BWYKXNIGEPAQLJ-UHFFFAOYSA-N 1 0 397.404 4.322 20 30 GIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)cc1 ZINC000571228986 823152204 /nfs/dbraw/zinc/15/22/04/823152204.db2.gz NAYQNAPDAZVGLD-UHFFFAOYSA-N 1 0 388.284 4.218 20 30 GIEDRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000459340237 823164841 /nfs/dbraw/zinc/16/48/41/823164841.db2.gz CSVMFSSRHBJHTE-CKUXNOBLSA-N 1 0 375.516 4.183 20 30 GIEDRO N#Cc1ccc(C2(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)cc1 ZINC000187991684 823168305 /nfs/dbraw/zinc/16/83/05/823168305.db2.gz QCXGSCQYOJVULM-OAQYLSRUSA-N 1 0 393.918 4.197 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000056595174 823177199 /nfs/dbraw/zinc/17/71/99/823177199.db2.gz ZZXASIOEOBZFHY-UHFFFAOYSA-N 1 0 390.487 4.407 20 30 GIEDRO C[C@H]1CC[N@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000571463255 823186435 /nfs/dbraw/zinc/18/64/35/823186435.db2.gz QDWLPIJPOLOZEM-HNNXBMFYSA-N 1 0 383.879 4.076 20 30 GIEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000056659195 823191573 /nfs/dbraw/zinc/19/15/73/823191573.db2.gz UQALHKAKSLWDEC-SFHVURJKSA-N 1 0 378.476 4.122 20 30 GIEDRO CC(C)[NH+](CCn1c(S[C@H](C)CCC#N)nc2ccccc2c1=O)C(C)C ZINC000188251305 823209304 /nfs/dbraw/zinc/20/93/04/823209304.db2.gz KANHCORLBAEJPQ-QGZVFWFLSA-N 1 0 386.565 4.300 20 30 GIEDRO C=CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)c1ccccc1 ZINC000188354236 823224462 /nfs/dbraw/zinc/22/44/62/823224462.db2.gz FIWFCUDTSJFURG-OAQYLSRUSA-N 1 0 393.531 4.136 20 30 GIEDRO CC[NH+]1CCC(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000057001107 823239122 /nfs/dbraw/zinc/23/91/22/823239122.db2.gz LHHWUXKKIGZOIY-UHFFFAOYSA-N 1 0 379.529 4.171 20 30 GIEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662126 823244237 /nfs/dbraw/zinc/24/42/37/823244237.db2.gz NIVNDLVUAPAZFW-SFHVURJKSA-N 1 0 382.426 4.008 20 30 GIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000121798969 823253786 /nfs/dbraw/zinc/25/37/86/823253786.db2.gz KNHKLEMWQDRGPM-RTBURBONSA-N 1 0 392.459 4.070 20 30 GIEDRO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057177603 823259997 /nfs/dbraw/zinc/25/99/97/823259997.db2.gz DNSUOBJAPTWJAX-FQEVSTJZSA-N 1 0 377.488 4.220 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+]C2(C3CCC3)CCC2)c1C#N ZINC000459766915 823262227 /nfs/dbraw/zinc/26/22/27/823262227.db2.gz JWHPXHPXOWCLSP-UHFFFAOYSA-N 1 0 394.519 4.259 20 30 GIEDRO O=C1[C@@H]([n+]2ccc(Cc3ccccc3)cc2)CCCN1Cc1ccc(F)cc1F ZINC000188633179 823276929 /nfs/dbraw/zinc/27/69/29/823276929.db2.gz RIAGAVGJJHOQLL-QHCPKHFHSA-N 1 0 393.457 4.207 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000006367146 817684157 /nfs/dbraw/zinc/68/41/57/817684157.db2.gz VIFDGICNNZMVSL-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000572205422 823299824 /nfs/dbraw/zinc/29/98/24/823299824.db2.gz IVCRIPAODSKVQI-UHFFFAOYSA-N 1 0 391.437 4.063 20 30 GIEDRO C[NH+](C)CCN(Cc1ccco1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572206284 823300031 /nfs/dbraw/zinc/30/00/31/823300031.db2.gz NDQMLYTYQCOVTO-UHFFFAOYSA-N 1 0 389.499 4.294 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572320008 823319623 /nfs/dbraw/zinc/31/96/23/823319623.db2.gz NICJKSVKONCLRG-QGZVFWFLSA-N 1 0 389.455 4.484 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000572344989 823324925 /nfs/dbraw/zinc/32/49/25/823324925.db2.gz KBCMQDZUNCZTGC-GOSISDBHSA-N 1 0 392.551 4.171 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000409852709 823326674 /nfs/dbraw/zinc/32/66/74/823326674.db2.gz KASDUFXPELXGPF-UHFFFAOYSA-N 1 0 379.869 4.327 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000176975659 823340021 /nfs/dbraw/zinc/34/00/21/823340021.db2.gz DQGVKGRZZORXIT-UHFFFAOYSA-N 1 0 377.307 4.178 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000572454691 823342666 /nfs/dbraw/zinc/34/26/66/823342666.db2.gz VRNCIWGSCWAJBK-XJABCFGWSA-N 1 0 382.529 4.024 20 30 GIEDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572538973 823357033 /nfs/dbraw/zinc/35/70/33/823357033.db2.gz PICUYBFSEALOMW-WOJBJXKFSA-N 1 0 386.902 4.449 20 30 GIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000177045754 823358909 /nfs/dbraw/zinc/35/89/09/823358909.db2.gz HARLXTZMRAARFS-NRFANRHFSA-N 1 0 387.487 4.094 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)C)c1C#N ZINC000460350065 823360788 /nfs/dbraw/zinc/36/07/88/823360788.db2.gz JEPUAUVFZDIDSX-FPOVZHCZSA-N 1 0 396.535 4.361 20 30 GIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCOC)c2ccc(C#N)cc2)cc1 ZINC000460364231 823364425 /nfs/dbraw/zinc/36/44/25/823364425.db2.gz SITCGFHRJBYVEG-UHFFFAOYSA-N 1 0 379.504 4.083 20 30 GIEDRO C=CCc1cc(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc(OC)c1OC ZINC000022684385 818842932 /nfs/dbraw/zinc/84/29/32/818842932.db2.gz SZADJHAEMXMAGI-OAQYLSRUSA-N 1 0 396.531 4.027 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686413 818843710 /nfs/dbraw/zinc/84/37/10/818843710.db2.gz VDNCSAZYMLTAKR-UHFFFAOYSA-O 1 0 377.480 4.098 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@@H]2CCCO2)c1 ZINC000022691812 818845561 /nfs/dbraw/zinc/84/55/61/818845561.db2.gz JNUTYRFBIKVSAS-FQEVSTJZSA-O 1 0 397.564 4.113 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cc1 ZINC000022731210 818851887 /nfs/dbraw/zinc/85/18/87/818851887.db2.gz JXUYDEOFVFCDGT-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000022733553 818852447 /nfs/dbraw/zinc/85/24/47/818852447.db2.gz WXZUVJPUCWDNLC-UHFFFAOYSA-O 1 0 394.347 4.318 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NC)cc1 ZINC000022733556 818852663 /nfs/dbraw/zinc/85/26/63/818852663.db2.gz FATQYOVZLTTXQI-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccc2)cc1 ZINC000022735096 818853150 /nfs/dbraw/zinc/85/31/50/818853150.db2.gz ZEMKHOCUWMWLOR-UHFFFAOYSA-O 1 0 389.544 4.308 20 30 GIEDRO CNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734624 818853210 /nfs/dbraw/zinc/85/32/10/818853210.db2.gz ZBXMTLFFWYTPMY-UHFFFAOYSA-O 1 0 395.573 4.401 20 30 GIEDRO O=C(c1ccc(Cl)cc1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022734864 818853291 /nfs/dbraw/zinc/85/32/91/818853291.db2.gz XOMQYVZXSRWHHV-UHFFFAOYSA-O 1 0 395.935 4.399 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c(C)s1 ZINC000022791004 818861423 /nfs/dbraw/zinc/86/14/23/818861423.db2.gz JTOLNFXNTPGAHH-UHFFFAOYSA-O 1 0 395.573 4.424 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022803450 818862336 /nfs/dbraw/zinc/86/23/36/818862336.db2.gz ZTXSDCATXDBEKM-UHFFFAOYSA-O 1 0 387.956 4.445 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022804601 818862468 /nfs/dbraw/zinc/86/24/68/818862468.db2.gz JOVARQQIDJCGSK-UHFFFAOYSA-O 1 0 389.491 4.070 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022805307 818863001 /nfs/dbraw/zinc/86/30/01/818863001.db2.gz MSIKWGMIOPHZTQ-UHFFFAOYSA-O 1 0 384.569 4.102 20 30 GIEDRO C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460377300 823369361 /nfs/dbraw/zinc/36/93/61/823369361.db2.gz XRUKVOMYGYFLCL-DEOSSOPVSA-N 1 0 393.579 4.470 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1cccc(C)c1 ZINC000023580405 818960591 /nfs/dbraw/zinc/96/05/91/818960591.db2.gz OCZWYJWQHFCHFA-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)c(C)[nH]1 ZINC000023604522 818963809 /nfs/dbraw/zinc/96/38/09/818963809.db2.gz LNWCSWDEZLXGPN-UHFFFAOYSA-O 1 0 382.484 4.417 20 30 GIEDRO Fc1ccc(C2([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CCOCC2)cc1 ZINC000177152291 823384549 /nfs/dbraw/zinc/38/45/49/823384549.db2.gz NOADIPWGCWKPMT-UHFFFAOYSA-N 1 0 377.381 4.492 20 30 GIEDRO N#CCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058418079 823388110 /nfs/dbraw/zinc/38/81/10/823388110.db2.gz SELHGWROTACREO-UHFFFAOYSA-N 1 0 376.504 4.450 20 30 GIEDRO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000572737767 823390581 /nfs/dbraw/zinc/39/05/81/823390581.db2.gz SBRMZTGHJZAAIO-QHCPKHFHSA-N 1 0 389.478 4.238 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)CC2)cc1 ZINC000122815487 823417330 /nfs/dbraw/zinc/41/73/30/823417330.db2.gz LMMAXJHTVUXHJQ-UHFFFAOYSA-N 1 0 382.511 4.328 20 30 GIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460570253 823438108 /nfs/dbraw/zinc/43/81/08/823438108.db2.gz FSTHEMBPFJYWJD-OALUTQOASA-N 1 0 399.608 4.154 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460581509 823443508 /nfs/dbraw/zinc/44/35/08/823443508.db2.gz ZBYZYFNHDMHEKQ-FQEVSTJZSA-N 1 0 397.542 4.039 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000025865893 820032489 /nfs/dbraw/zinc/03/24/89/820032489.db2.gz AVTQJDNNHVYVMD-XMMPIXPASA-N 1 0 386.495 4.195 20 30 GIEDRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000026329344 820084978 /nfs/dbraw/zinc/08/49/78/820084978.db2.gz MCDLZTBPSKYBTL-QHCPKHFHSA-N 1 0 389.524 4.347 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000573143577 823455034 /nfs/dbraw/zinc/45/50/34/823455034.db2.gz QOJDPHRHHVIPRC-YRUKQIKQSA-N 1 0 376.500 4.461 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc2c(c1)CCCC2 ZINC000027059573 820186971 /nfs/dbraw/zinc/18/69/71/820186971.db2.gz VNPDVPHKPBUKMR-UHFFFAOYSA-O 1 0 391.516 4.314 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(C)cc2)s1 ZINC000027200118 820209017 /nfs/dbraw/zinc/20/90/17/820209017.db2.gz IWYJBOLOJVRZNW-UHFFFAOYSA-O 1 0 381.546 4.381 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCc2ccccc2)cc1 ZINC000027200177 820209226 /nfs/dbraw/zinc/20/92/26/820209226.db2.gz KTZZCEMFBHVCNK-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC ZINC000189630073 823462461 /nfs/dbraw/zinc/46/24/61/823462461.db2.gz ITFYIAJFUIPBII-QFBILLFUSA-N 1 0 387.442 4.223 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1CC ZINC000027317726 820223702 /nfs/dbraw/zinc/22/37/02/820223702.db2.gz GVCDOTLDQISOQH-UHFFFAOYSA-O 1 0 381.565 4.354 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000027311573 820223715 /nfs/dbraw/zinc/22/37/15/820223715.db2.gz RHRBJKWNKRLSEI-UHFFFAOYSA-O 1 0 397.564 4.385 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC ZINC000189630053 823462520 /nfs/dbraw/zinc/46/25/20/823462520.db2.gz ITFYIAJFUIPBII-LPHOPBHVSA-N 1 0 387.442 4.223 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1CC ZINC000027324756 820224172 /nfs/dbraw/zinc/22/41/72/820224172.db2.gz UDCVMGQOJUWGMZ-UHFFFAOYSA-O 1 0 381.565 4.354 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000027461399 820247503 /nfs/dbraw/zinc/24/75/03/820247503.db2.gz DIFXNXRBPDJNNV-UHFFFAOYSA-O 1 0 398.508 4.052 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCCCSC)cc1 ZINC000027479441 820250087 /nfs/dbraw/zinc/25/00/87/820250087.db2.gz FUZLIYUEJVEARN-UHFFFAOYSA-O 1 0 393.623 4.188 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccccc1 ZINC000027478985 820250182 /nfs/dbraw/zinc/25/01/82/820250182.db2.gz MPLFPHWARAUUMI-UHFFFAOYSA-O 1 0 385.534 4.002 20 30 GIEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000123161739 823472048 /nfs/dbraw/zinc/47/20/48/823472048.db2.gz WISBGIHUAJAJHK-HOJAQTOUSA-N 1 0 387.524 4.036 20 30 GIEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000573410369 823490043 /nfs/dbraw/zinc/49/00/43/823490043.db2.gz JSKDRGFGWJCUOC-MRXNPFEDSA-N 1 0 381.545 4.309 20 30 GIEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000573409871 823489829 /nfs/dbraw/zinc/48/98/29/823489829.db2.gz ZDLQPGZXYYKACY-OAHLLOKOSA-N 1 0 392.334 4.111 20 30 GIEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573403179 823488769 /nfs/dbraw/zinc/48/87/69/823488769.db2.gz QGBJQVDYKHVTLS-OKILXGFUSA-N 1 0 385.455 4.294 20 30 GIEDRO Fc1ccc(C#CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000573433238 823492729 /nfs/dbraw/zinc/49/27/29/823492729.db2.gz ABSSOEZEZCUTNY-UHFFFAOYSA-N 1 0 377.381 4.492 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000031104280 820743697 /nfs/dbraw/zinc/74/36/97/820743697.db2.gz JUMPXNAYFVAEQB-SFHVURJKSA-N 1 0 376.504 4.105 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460806188 823517563 /nfs/dbraw/zinc/51/75/63/823517563.db2.gz WBGBGLCPIHJQJF-DYESRHJHSA-N 1 0 392.551 4.169 20 30 GIEDRO C=CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000190003699 823524312 /nfs/dbraw/zinc/52/43/12/823524312.db2.gz JHDBRKDJIKZADL-DEOSSOPVSA-N 1 0 392.543 4.010 20 30 GIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)[C@H](C(F)(F)F)C1 ZINC000410974807 823526769 /nfs/dbraw/zinc/52/67/69/823526769.db2.gz YGEIQUQURCSNJQ-ZIAGYGMSSA-N 1 0 387.833 4.253 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000042621926 821314825 /nfs/dbraw/zinc/31/48/25/821314825.db2.gz ZIMVTOCXTCYHTH-UHFFFAOYSA-N 1 0 392.503 4.232 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043145761 821367880 /nfs/dbraw/zinc/36/78/80/821367880.db2.gz SIGKACSZBNTCPO-CQSZACIVSA-N 1 0 383.970 4.464 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000180813537 821474498 /nfs/dbraw/zinc/47/44/98/821474498.db2.gz DFVFGIMCGFBQKB-DNVCBOLYSA-N 1 0 399.466 4.022 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)ccc1OC ZINC000180815513 821475780 /nfs/dbraw/zinc/47/57/80/821475780.db2.gz TVAVQPFCZAYVCP-KXBFYZLASA-N 1 0 399.466 4.022 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000181094170 821630064 /nfs/dbraw/zinc/63/00/64/821630064.db2.gz QQLCQLWZVFXKPK-FXAWDEMLSA-N 1 0 379.529 4.116 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000181094146 821630187 /nfs/dbraw/zinc/63/01/87/821630187.db2.gz QQLCQLWZVFXKPK-YLJYHZDGSA-N 1 0 379.529 4.116 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181121132 821646329 /nfs/dbraw/zinc/64/63/29/821646329.db2.gz IUSMLXKIXHXDTL-AWEZNQCLSA-N 1 0 378.398 4.030 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181123009 821647133 /nfs/dbraw/zinc/64/71/33/821647133.db2.gz VWJORDUJPGXQDX-UHFFFAOYSA-N 1 0 391.441 4.089 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(Br)c1 ZINC000181232836 821709517 /nfs/dbraw/zinc/70/95/17/821709517.db2.gz KWVSUNLFTMUUNM-HXUWFJFHSA-N 1 0 399.288 4.333 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000181608377 821901129 /nfs/dbraw/zinc/90/11/29/821901129.db2.gz YAKXAWDXYFUDMZ-UHFFFAOYSA-N 1 0 388.540 4.436 20 30 GIEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181624881 821908974 /nfs/dbraw/zinc/90/89/74/821908974.db2.gz ZWOBHHHVPHXUAW-IBGZPJMESA-N 1 0 377.532 4.142 20 30 GIEDRO C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181739514 821970835 /nfs/dbraw/zinc/97/08/35/821970835.db2.gz HLMOZKSXHYLBPZ-SFHVURJKSA-N 1 0 380.488 4.135 20 30 GIEDRO COc1cc(F)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181752489 821977333 /nfs/dbraw/zinc/97/73/33/821977333.db2.gz ZPQBHEIXMOIXOP-MRXNPFEDSA-N 1 0 397.494 4.030 20 30 GIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809725 822001767 /nfs/dbraw/zinc/00/17/67/822001767.db2.gz FCMBAKXIUBSRMY-IIBYNOLFSA-N 1 0 383.467 4.210 20 30 GIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181836006 822012403 /nfs/dbraw/zinc/01/24/03/822012403.db2.gz MUPHQRNVHIDXMU-OALUTQOASA-N 1 0 387.527 4.128 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4cccc(Cl)c4)C3)CC2)cc1 ZINC000181866489 822020880 /nfs/dbraw/zinc/02/08/80/822020880.db2.gz HGRXHCUSVSXOSX-JOCHJYFZSA-N 1 0 394.950 4.045 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887474 822027159 /nfs/dbraw/zinc/02/71/59/822027159.db2.gz OLEDWVLDUQIILV-HZPDHXFCSA-N 1 0 380.492 4.046 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000182004657 822059825 /nfs/dbraw/zinc/05/98/25/822059825.db2.gz SGZRBMACRREUMZ-KRWDZBQOSA-N 1 0 378.476 4.090 20 30 GIEDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000182047096 822072897 /nfs/dbraw/zinc/07/28/97/822072897.db2.gz HGCAGWJQOVNTTD-UHFFFAOYSA-N 1 0 388.515 4.210 20 30 GIEDRO CCN(Cc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)=O ZINC000182624006 822327385 /nfs/dbraw/zinc/32/73/85/822327385.db2.gz HVTLLVQZDXYIFS-UHFFFAOYSA-N 1 0 390.531 4.003 20 30 GIEDRO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453465120 822369863 /nfs/dbraw/zinc/36/98/63/822369863.db2.gz MKYYSUJLGQXJOW-FQEVSTJZSA-N 1 0 389.588 4.044 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000178383878 822373615 /nfs/dbraw/zinc/37/36/15/822373615.db2.gz ZQLCTFSPQDFXAR-UHFFFAOYSA-N 1 0 390.531 4.073 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182871300 822383379 /nfs/dbraw/zinc/38/33/79/822383379.db2.gz YBGVWGZBFCHORQ-RXVVDRJESA-N 1 0 382.552 4.131 20 30 GIEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000045405216 822385212 /nfs/dbraw/zinc/38/52/12/822385212.db2.gz KMKHLAQFYGUPOM-OAQYLSRUSA-N 1 0 398.938 4.436 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc(OC)c1O ZINC000453575939 822386777 /nfs/dbraw/zinc/38/67/77/822386777.db2.gz OILXJIWMEKEVOD-UHFFFAOYSA-N 1 0 379.500 4.193 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178533646 822389035 /nfs/dbraw/zinc/38/90/35/822389035.db2.gz YSPCNZHDNYXTTC-FYYLOGMGSA-N 1 0 388.515 4.385 20 30 GIEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179303404 822462985 /nfs/dbraw/zinc/46/29/85/822462985.db2.gz ATCAOIXLYZOBKM-UHFFFAOYSA-N 1 0 388.515 4.421 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000179388196 822475274 /nfs/dbraw/zinc/47/52/74/822475274.db2.gz LGDAZRGMQWDNQQ-IAGOWNOFSA-N 1 0 387.524 4.103 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454573725 822499029 /nfs/dbraw/zinc/49/90/29/822499029.db2.gz IPNRGTYJMPOGGW-CALCHBBNSA-N 1 0 378.476 4.215 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000183727842 822517497 /nfs/dbraw/zinc/51/74/97/822517497.db2.gz JGDORNITJQOJJO-KXBFYZLASA-N 1 0 393.512 4.081 20 30 GIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000179696407 822529503 /nfs/dbraw/zinc/52/95/03/822529503.db2.gz OGAKDNCIKUPRKO-UHFFFAOYSA-N 1 0 378.339 4.492 20 30 GIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179715980 822533687 /nfs/dbraw/zinc/53/36/87/822533687.db2.gz CEQQKFCAJQWMGO-HOCLYGCPSA-N 1 0 379.451 4.060 20 30 GIEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000046956873 822534146 /nfs/dbraw/zinc/53/41/46/822534146.db2.gz UMGHOLXYAGSIQK-JXFKEZNVSA-N 1 0 396.922 4.459 20 30 GIEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000179851041 822566216 /nfs/dbraw/zinc/56/62/16/822566216.db2.gz OXLRGINFVCUPKH-QFBILLFUSA-N 1 0 376.460 4.051 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3OCC(F)F)CC2)cc1 ZINC000179858269 822567428 /nfs/dbraw/zinc/56/74/28/822567428.db2.gz KDOASFGUGHFRJF-UHFFFAOYSA-N 1 0 389.421 4.418 20 30 GIEDRO Cn1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179898671 822573289 /nfs/dbraw/zinc/57/32/89/822573289.db2.gz VNBFKECAMMKXOB-UHFFFAOYSA-N 1 0 396.498 4.215 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180016372 822597233 /nfs/dbraw/zinc/59/72/33/822597233.db2.gz SJGLTESNKGWYRN-ICSRJNTNSA-N 1 0 392.503 4.106 20 30 GIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000180038717 822602389 /nfs/dbraw/zinc/60/23/89/822602389.db2.gz DOCQRTQVGKPGPH-GHTZIAJQSA-N 1 0 392.503 4.245 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000180045469 822603698 /nfs/dbraw/zinc/60/36/98/822603698.db2.gz TXNIORONUWGNCA-GOSISDBHSA-N 1 0 384.524 4.288 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000184302918 822611034 /nfs/dbraw/zinc/61/10/34/822611034.db2.gz PBSOIENLKHODPA-OALUTQOASA-N 1 0 392.503 4.106 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000184303936 822611266 /nfs/dbraw/zinc/61/12/66/822611266.db2.gz QVCQGEWWOJSQHF-QINHECLXSA-N 1 0 398.532 4.244 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C)cs1 ZINC000184350826 822620463 /nfs/dbraw/zinc/62/04/63/822620463.db2.gz NAPCUGBQOWMFJY-OAHLLOKOSA-N 1 0 388.562 4.333 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(Br)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180155756 822628644 /nfs/dbraw/zinc/62/86/44/822628644.db2.gz UEKKPRDBYKMAGB-UHFFFAOYSA-N 1 0 399.267 4.150 20 30 GIEDRO Cn1cc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180174169 822632350 /nfs/dbraw/zinc/63/23/50/822632350.db2.gz YLTGSENIIJLBBZ-QHCPKHFHSA-N 1 0 385.515 4.060 20 30 GIEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161741 822641152 /nfs/dbraw/zinc/64/11/52/822641152.db2.gz NMQLWQCQQFOKQJ-GOSISDBHSA-N 1 0 394.519 4.183 20 30 GIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000180223058 822642411 /nfs/dbraw/zinc/64/24/11/822642411.db2.gz XLAOGAVHTMSGBX-LJQANCHMSA-N 1 0 391.544 4.487 20 30 GIEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184514844 822648646 /nfs/dbraw/zinc/64/86/46/822648646.db2.gz NMAHEBKCFGTSSY-CYBMUJFWSA-N 1 0 390.940 4.185 20 30 GIEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O ZINC000180274622 822652542 /nfs/dbraw/zinc/65/25/42/822652542.db2.gz RGILKFPDVKSXTE-UHFFFAOYSA-N 1 0 395.425 4.182 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180425733 822679473 /nfs/dbraw/zinc/67/94/73/822679473.db2.gz SZLZEAFBPLALIW-GJZGRUSLSA-N 1 0 398.488 4.136 20 30 GIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000048748351 822680918 /nfs/dbraw/zinc/68/09/18/822680918.db2.gz NUJSBXQLNXXLKX-UHFFFAOYSA-N 1 0 376.456 4.064 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000184756353 822686717 /nfs/dbraw/zinc/68/67/17/822686717.db2.gz XRBPGRPSDHDQFN-OCCSQVGLSA-N 1 0 399.564 4.046 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000180554139 822701209 /nfs/dbraw/zinc/70/12/09/822701209.db2.gz USQQGLLHIPHELZ-KRWDZBQOSA-N 1 0 375.241 4.268 20 30 GIEDRO N#CCOc1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000180557883 822702072 /nfs/dbraw/zinc/70/20/72/822702072.db2.gz WJFNLFVJXPUSGV-UHFFFAOYSA-N 1 0 387.886 4.136 20 30 GIEDRO CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455706820 822708530 /nfs/dbraw/zinc/70/85/30/822708530.db2.gz QTUVKKOUBGKUKK-SFHVURJKSA-N 1 0 382.895 4.144 20 30 GIEDRO C[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1n1ccnc1 ZINC000180611874 822712101 /nfs/dbraw/zinc/71/21/01/822712101.db2.gz YMJSMRVZRXQWHW-CYFREDJKSA-N 1 0 386.499 4.417 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724503 822714245 /nfs/dbraw/zinc/71/42/45/822714245.db2.gz CDUDFJJHTNALGI-FOIQADDNSA-N 1 0 382.895 4.048 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455900454 822744837 /nfs/dbraw/zinc/74/48/37/822744837.db2.gz FXYUTPVDBGEWAA-OAQYLSRUSA-N 1 0 394.475 4.364 20 30 GIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(CC#N)c1 ZINC000455909931 822747169 /nfs/dbraw/zinc/74/71/69/822747169.db2.gz SXHVWRMZWKQTSA-QZTJIDSGSA-N 1 0 376.504 4.031 20 30 GIEDRO C[C@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000455911850 822747666 /nfs/dbraw/zinc/74/76/66/822747666.db2.gz WTGGTTUYANWVQH-RXVVDRJESA-N 1 0 376.504 4.175 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133510 822747705 /nfs/dbraw/zinc/74/77/05/822747705.db2.gz BSILAGZWKLQQAI-UYAOXDASSA-N 1 0 383.517 4.048 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455924242 822750233 /nfs/dbraw/zinc/75/02/33/822750233.db2.gz VIOUQRTYRKBGAO-UHFFFAOYSA-N 1 0 376.504 4.129 20 30 GIEDRO COc1ccc([C@@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCCC2)cc1 ZINC000455936503 822752889 /nfs/dbraw/zinc/75/28/89/822752889.db2.gz CEJAQLRIBWSKFY-JOCHJYFZSA-N 1 0 392.503 4.110 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C#N ZINC000174326389 822771472 /nfs/dbraw/zinc/77/14/72/822771472.db2.gz XALNEYPPLHQULY-UHFFFAOYSA-N 1 0 389.430 4.248 20 30 GIEDRO COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174425290 822788231 /nfs/dbraw/zinc/78/82/31/822788231.db2.gz WNDYOKBPWWCLNX-UHFFFAOYSA-N 1 0 375.428 4.053 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2sccc2C#N)cc1 ZINC000052034489 822788856 /nfs/dbraw/zinc/78/88/56/822788856.db2.gz PNTVRTPBAWELAJ-UHFFFAOYSA-N 1 0 375.497 4.278 20 30 GIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(Br)c1OC ZINC000174430374 822789186 /nfs/dbraw/zinc/78/91/86/822789186.db2.gz YFEHJXJLFCHMER-GFCCVEGCSA-N 1 0 375.266 4.189 20 30 GIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456255587 822790554 /nfs/dbraw/zinc/79/05/54/822790554.db2.gz CIBUQKHFHKPOPJ-IFMALSPDSA-N 1 0 377.488 4.149 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@@H+]1C ZINC000174494060 822796609 /nfs/dbraw/zinc/79/66/09/822796609.db2.gz CYWXVTWFKMPSDF-MAUKXSAKSA-N 1 0 396.466 4.436 20 30 GIEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185581098 822798845 /nfs/dbraw/zinc/79/88/45/822798845.db2.gz KQYNZJOVDHAIKO-UHFFFAOYSA-O 1 0 392.548 4.051 20 30 GIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000052464004 822800605 /nfs/dbraw/zinc/80/06/05/822800605.db2.gz TWMXMGDQEGAQOR-HXOBKFHXSA-N 1 0 380.536 4.099 20 30 GIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000185821038 822824287 /nfs/dbraw/zinc/82/42/87/822824287.db2.gz OHPBXQLZHAQONX-IRLDBZIGSA-N 1 0 391.515 4.227 20 30 GIEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185831864 822825391 /nfs/dbraw/zinc/82/53/91/822825391.db2.gz WIPSCYVHWQNCRI-YLJYHZDGSA-N 1 0 377.479 4.242 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)CC1 ZINC000174770538 822834924 /nfs/dbraw/zinc/83/49/24/822834924.db2.gz VDUJBOOSQCZZGS-UHFFFAOYSA-N 1 0 395.547 4.383 20 30 GIEDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000457084559 822851505 /nfs/dbraw/zinc/85/15/05/822851505.db2.gz YNTUSCZMJZSJAC-UHFFFAOYSA-N 1 0 393.556 4.455 20 30 GIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990934 822855997 /nfs/dbraw/zinc/85/59/97/822855997.db2.gz FLRFEGROIZVZMB-UHFFFAOYSA-N 1 0 396.494 4.015 20 30 GIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000186266645 822867152 /nfs/dbraw/zinc/86/71/52/822867152.db2.gz BKYUTZMTXZLVSH-UHFFFAOYSA-N 1 0 383.879 4.076 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186291134 822871626 /nfs/dbraw/zinc/87/16/26/822871626.db2.gz HTJZLFQDWDZIAQ-UHFFFAOYSA-N 1 0 376.810 4.058 20 30 GIEDRO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000569127161 822881740 /nfs/dbraw/zinc/88/17/40/822881740.db2.gz YKTZTBRJCAHYDF-UHFFFAOYSA-N 1 0 379.479 4.103 20 30 GIEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000569167925 822887559 /nfs/dbraw/zinc/88/75/59/822887559.db2.gz LKBZUNCRWPQJAI-UHFFFAOYSA-N 1 0 393.531 4.351 20 30 GIEDRO CCc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569474319 822927473 /nfs/dbraw/zinc/92/74/73/822927473.db2.gz VRNCIWGSCWAJBK-UCNVEGJOSA-N 1 0 382.529 4.024 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1 ZINC000055012858 822930962 /nfs/dbraw/zinc/93/09/62/822930962.db2.gz UCQAOJGXXBRYKC-UHFFFAOYSA-O 1 0 387.528 4.484 20 30 GIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)c1 ZINC000055027843 822932282 /nfs/dbraw/zinc/93/22/82/822932282.db2.gz MXNLZRCYKCMQOE-UHFFFAOYSA-O 1 0 381.546 4.381 20 30 GIEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027586 822932302 /nfs/dbraw/zinc/93/23/02/822932302.db2.gz NREXKIJCGPGKSH-UHFFFAOYSA-O 1 0 389.472 4.042 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569822317 822972794 /nfs/dbraw/zinc/97/27/94/822972794.db2.gz MCAGDRITYRBQSF-UHFFFAOYSA-N 1 0 378.476 4.010 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)CC)[n+]2cccc(C)c2)cc1 ZINC000186973404 822990313 /nfs/dbraw/zinc/99/03/13/822990313.db2.gz DDCCHOYBABZJBH-UHFFFAOYSA-O 1 0 385.553 4.398 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)CC)[n+]2ccc(C)cc2)cc1 ZINC000186979134 822991304 /nfs/dbraw/zinc/99/13/04/822991304.db2.gz KNKQPKJOTXUBDZ-UHFFFAOYSA-O 1 0 385.553 4.398 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1cccc(C)c1 ZINC000186978919 822991339 /nfs/dbraw/zinc/99/13/39/822991339.db2.gz DEAUVWYHBKYOGA-UHFFFAOYSA-O 1 0 377.480 4.278 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175572553 823000033 /nfs/dbraw/zinc/00/00/33/823000033.db2.gz LTBWKSOBQKFLPT-LPHOPBHVSA-N 1 0 378.476 4.297 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175572499 823000151 /nfs/dbraw/zinc/00/01/51/823000151.db2.gz LTBWKSOBQKFLPT-VQIMIIECSA-N 1 0 378.476 4.297 20 30 GIEDRO C=CCC[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC000187200030 823023922 /nfs/dbraw/zinc/02/39/22/823023922.db2.gz VROWZCJMWIAECX-NRFANRHFSA-N 1 0 379.504 4.265 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(C#N)cs2)cc1 ZINC000175704656 823024125 /nfs/dbraw/zinc/02/41/25/823024125.db2.gz MIWGAEYOEAOARO-UHFFFAOYSA-N 1 0 375.497 4.278 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000175708328 823024733 /nfs/dbraw/zinc/02/47/33/823024733.db2.gz HTSXLOJUPALFEU-OLZOCXBDSA-N 1 0 377.366 4.135 20 30 GIEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@@H]1C(F)(F)F ZINC000190176373 823546566 /nfs/dbraw/zinc/54/65/66/823546566.db2.gz UHXGRMAKKGUXPU-HNNXBMFYSA-N 1 0 399.482 4.347 20 30 GIEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460963600 823551794 /nfs/dbraw/zinc/55/17/94/823551794.db2.gz YWTRCXLQIHSRHR-IBGZPJMESA-N 1 0 379.552 4.223 20 30 GIEDRO COc1ccc(CCC(=O)N2CCC[N@H+](CCC3(C#N)CCCCC3)CC2)cc1 ZINC000411228824 823558997 /nfs/dbraw/zinc/55/89/97/823558997.db2.gz POHILCOJTJQQIE-UHFFFAOYSA-N 1 0 397.563 4.026 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccnc(-n4cccn4)c3)c2)c1 ZINC000060975256 823570666 /nfs/dbraw/zinc/57/06/66/823570666.db2.gz HHBQMHDBPNIGCI-UHFFFAOYSA-N 1 0 395.466 4.008 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](Cc3cccnc3)C3CC3)sc2C1 ZINC000411418837 823572081 /nfs/dbraw/zinc/57/20/81/823572081.db2.gz NZLJJLAWJKQRBH-OAHLLOKOSA-N 1 0 394.544 4.133 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011765 823572660 /nfs/dbraw/zinc/57/26/60/823572660.db2.gz ROOHBMJKIKPDFW-UHFFFAOYSA-N 1 0 390.531 4.276 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1OCC ZINC000411437139 823574174 /nfs/dbraw/zinc/57/41/74/823574174.db2.gz JLJZSONGWQBJTR-INIZCTEOSA-N 1 0 381.476 4.035 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)cc1F ZINC000411438599 823574210 /nfs/dbraw/zinc/57/42/10/823574210.db2.gz NOVJTGPMWLEKHC-NSHDSACASA-N 1 0 375.444 4.066 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(C#N)cc1 ZINC000411446014 823575034 /nfs/dbraw/zinc/57/50/34/823575034.db2.gz HXLDPRNYSXVSJU-HUUCEWRRSA-N 1 0 392.528 4.296 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(C#N)cc1 ZINC000411446018 823575043 /nfs/dbraw/zinc/57/50/43/823575043.db2.gz HXLDPRNYSXVSJU-LSDHHAIUSA-N 1 0 392.528 4.296 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(C#N)cc1 ZINC000411446006 823575068 /nfs/dbraw/zinc/57/50/68/823575068.db2.gz HXLDPRNYSXVSJU-CABCVRRESA-N 1 0 392.528 4.296 20 30 GIEDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000411445561 823575072 /nfs/dbraw/zinc/57/50/72/823575072.db2.gz AJMNQTOQLRLSLN-AWEZNQCLSA-N 1 0 383.517 4.187 20 30 GIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](Cc2ccccc2)C2CC2)sc2c1CCC2 ZINC000411484899 823580407 /nfs/dbraw/zinc/58/04/07/823580407.db2.gz ZLUWLSFEHSLCNC-IBGZPJMESA-N 1 0 379.529 4.048 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCN(c4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000411521278 823584334 /nfs/dbraw/zinc/58/43/34/823584334.db2.gz SQVZLQPGYJNFQS-QRWLVFNGSA-N 1 0 389.455 4.078 20 30 GIEDRO Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2cc1C ZINC000190611710 823591499 /nfs/dbraw/zinc/59/14/99/823591499.db2.gz DFCDJMHATQUQOP-UTKZUKDTSA-N 1 0 387.483 4.373 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-c2ccccc2)o1 ZINC000190612179 823591611 /nfs/dbraw/zinc/59/16/11/823591611.db2.gz VDMWLYRMTSNNHJ-LAUBAEHRSA-N 1 0 385.467 4.270 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1C(F)(F)F ZINC000190613246 823591866 /nfs/dbraw/zinc/59/18/66/823591866.db2.gz LSOGZHXBYUNNFW-IFXJQAMLSA-N 1 0 387.405 4.029 20 30 GIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1F ZINC000190628626 823593418 /nfs/dbraw/zinc/59/34/18/823593418.db2.gz QMJFMWMDIZKZHI-RTBURBONSA-N 1 0 385.870 4.193 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061776922 823613555 /nfs/dbraw/zinc/61/35/55/823613555.db2.gz NWHUYCVYZJSTON-NRFANRHFSA-N 1 0 392.503 4.224 20 30 GIEDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411957619 823616555 /nfs/dbraw/zinc/61/65/55/823616555.db2.gz WKVXSPQIHCZMFZ-QKKBWIMNSA-N 1 0 389.565 4.010 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C1 ZINC000061915096 823618493 /nfs/dbraw/zinc/61/84/93/823618493.db2.gz BKBRUIPPNQXAIY-OALUTQOASA-N 1 0 390.531 4.036 20 30 GIEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2OC(F)F)c(-c2ccccc2)n1 ZINC000190883142 823619521 /nfs/dbraw/zinc/61/95/21/823619521.db2.gz VRPCLWUWXREQSI-UHFFFAOYSA-N 1 0 396.441 4.397 20 30 GIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411999624 823619865 /nfs/dbraw/zinc/61/98/65/823619865.db2.gz NBVCPLSQXQZHKQ-LADGPHEKSA-N 1 0 393.527 4.009 20 30 GIEDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000062259811 823626888 /nfs/dbraw/zinc/62/68/88/823626888.db2.gz YCVNIMLQFXOGPW-HNNXBMFYSA-N 1 0 378.394 4.194 20 30 GIEDRO C[N@H+](Cc1ccccc1NC(=O)Nc1ccn(CCC#N)n1)C1CCCCC1 ZINC000190952695 823629676 /nfs/dbraw/zinc/62/96/76/823629676.db2.gz OKXLVEQILRTNBQ-UHFFFAOYSA-N 1 0 380.496 4.205 20 30 GIEDRO CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461427035 823634493 /nfs/dbraw/zinc/63/44/93/823634493.db2.gz GCICCIFAAGASIM-FGZHOGPDSA-N 1 0 387.527 4.082 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000125289027 823665162 /nfs/dbraw/zinc/66/51/62/823665162.db2.gz TVPXOQJVCDIHBK-HXUWFJFHSA-N 1 0 382.895 4.365 20 30 GIEDRO COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000063472723 823674582 /nfs/dbraw/zinc/67/45/82/823674582.db2.gz AQNQBJLAPXIJOZ-HSZRJFAPSA-N 1 0 376.431 4.464 20 30 GIEDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063499557 823676435 /nfs/dbraw/zinc/67/64/35/823676435.db2.gz OUHHTQRHNAMWFM-HNNXBMFYSA-N 1 0 384.499 4.223 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000063549413 823678811 /nfs/dbraw/zinc/67/88/11/823678811.db2.gz OKDXGGOKMODBBX-LJQANCHMSA-N 1 0 398.304 4.486 20 30 GIEDRO Cc1ccc(CCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063637275 823685693 /nfs/dbraw/zinc/68/56/93/823685693.db2.gz CUTZHAUJERHQMC-UHFFFAOYSA-N 1 0 389.543 4.314 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000191487033 823690205 /nfs/dbraw/zinc/69/02/05/823690205.db2.gz DPFJHQPICUZCHZ-UHFFFAOYSA-N 1 0 386.584 4.028 20 30 GIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)c(F)c1 ZINC000574486579 823744535 /nfs/dbraw/zinc/74/45/35/823744535.db2.gz JZQIUIDXVGRJFD-UHFFFAOYSA-N 1 0 390.405 4.385 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549137 823761639 /nfs/dbraw/zinc/76/16/39/823761639.db2.gz LTPCCUKIHZUVNW-RFWXGWTQSA-N 1 0 394.563 4.232 20 30 GIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000461961282 823772576 /nfs/dbraw/zinc/77/25/76/823772576.db2.gz YGKLKIQVFBITTR-CRAIPNDOSA-N 1 0 397.350 4.149 20 30 GIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2c(c1)OCCO2 ZINC000191820716 823782234 /nfs/dbraw/zinc/78/22/34/823782234.db2.gz HNNNGVOYKFDAHP-KRWDZBQOSA-N 1 0 387.277 4.333 20 30 GIEDRO N#Cc1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413573494 823798786 /nfs/dbraw/zinc/79/87/86/823798786.db2.gz FRZQFZAMHLZZEI-UHFFFAOYSA-N 1 0 389.421 4.016 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000064361858 823800493 /nfs/dbraw/zinc/80/04/93/823800493.db2.gz ZAOPBCPJUMDQIO-UHFFFAOYSA-N 1 0 389.952 4.279 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064361718 823800561 /nfs/dbraw/zinc/80/05/61/823800561.db2.gz QKYPZMAQJMKVPF-UHFFFAOYSA-N 1 0 395.347 4.032 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000064361927 823800735 /nfs/dbraw/zinc/80/07/35/823800735.db2.gz LLKGVLAXNWRBPL-UHFFFAOYSA-N 1 0 386.499 4.209 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000126218787 823814510 /nfs/dbraw/zinc/81/45/10/823814510.db2.gz ACDWAHDCHORCQL-HZPDHXFCSA-N 1 0 385.895 4.335 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000574799015 823830588 /nfs/dbraw/zinc/83/05/88/823830588.db2.gz ISBUZDWQHWKXNK-IIBYNOLFSA-N 1 0 396.332 4.424 20 30 GIEDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000462122510 823835915 /nfs/dbraw/zinc/83/59/15/823835915.db2.gz KQXVGOWOLNQVSC-SFYKDHMMSA-N 1 0 375.516 4.173 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000192052139 823845049 /nfs/dbraw/zinc/84/50/49/823845049.db2.gz NSLQYOGZVYCQNM-ORYQWCPZSA-N 1 0 397.906 4.095 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413843105 823849415 /nfs/dbraw/zinc/84/94/15/823849415.db2.gz ZCSNKEYCLAYCSX-GOSISDBHSA-N 1 0 397.485 4.232 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408617 823859443 /nfs/dbraw/zinc/85/94/43/823859443.db2.gz BVTFHCHUBOGGFZ-VQTJNVASSA-N 1 0 390.531 4.273 20 30 GIEDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167370023 823891130 /nfs/dbraw/zinc/89/11/30/823891130.db2.gz WOYXXBRCGKFKNS-YJYMSZOUSA-N 1 0 388.830 4.364 20 30 GIEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000414133200 823916330 /nfs/dbraw/zinc/91/63/30/823916330.db2.gz GKMRCTWVEDNLQF-CRAIPNDOSA-N 1 0 388.309 4.024 20 30 GIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414349565 823962778 /nfs/dbraw/zinc/96/27/78/823962778.db2.gz KGMMSGXEZBUMIK-KXBFYZLASA-N 1 0 376.342 4.085 20 30 GIEDRO N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000575731789 823982568 /nfs/dbraw/zinc/98/25/68/823982568.db2.gz RQIDDWJPACJUFH-UHFFFAOYSA-N 1 0 386.908 4.236 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)ccc1OC ZINC000192445430 823995262 /nfs/dbraw/zinc/99/52/62/823995262.db2.gz QIYRFKJXYRIGIG-RTBURBONSA-N 1 0 380.488 4.032 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000414594107 824016598 /nfs/dbraw/zinc/01/65/98/824016598.db2.gz XFYILJWBTCMWGK-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO Cn1cc(-c2ccc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)s2)cn1 ZINC000575876769 824018036 /nfs/dbraw/zinc/01/80/36/824018036.db2.gz MQQBROQNUUONBF-UHFFFAOYSA-N 1 0 378.501 4.064 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@H](C)c1cccs1)[n+]1ccccc1 ZINC000171022834 824040094 /nfs/dbraw/zinc/04/00/94/824040094.db2.gz HBRUYXWFBYRACJ-OAHLLOKOSA-O 1 0 397.545 4.334 20 30 GIEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414905245 824048514 /nfs/dbraw/zinc/04/85/14/824048514.db2.gz NTXURZJHKBFJJV-NQIIRXRSSA-N 1 0 384.911 4.490 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1Cl ZINC000414911704 824049070 /nfs/dbraw/zinc/04/90/70/824049070.db2.gz SVISUBQSKKCYDL-IBGZPJMESA-N 1 0 382.895 4.259 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414966618 824055138 /nfs/dbraw/zinc/05/51/38/824055138.db2.gz OUEWQBPCDLJWRL-GJZGRUSLSA-N 1 0 384.867 4.253 20 30 GIEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165045869 721966026 /nfs/dbraw/zinc/96/60/26/721966026.db2.gz CMJBGENFGCHYLJ-FCHUYYIVSA-N 1 0 389.547 4.285 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994280 722193657 /nfs/dbraw/zinc/19/36/57/722193657.db2.gz MOIXQXQPVMRMIX-QHCPKHFHSA-N 1 0 378.495 4.461 20 30 GIEDRO COc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)ccc1C#N ZINC000570488296 823045001 /nfs/dbraw/zinc/04/50/01/823045001.db2.gz VBSWPUNULQPTRI-UHFFFAOYSA-N 1 0 388.515 4.399 20 30 GIEDRO CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458570894 823057680 /nfs/dbraw/zinc/05/76/80/823057680.db2.gz IRNGUYXXWFDNPJ-GOSISDBHSA-N 1 0 396.457 4.090 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570690063 823072248 /nfs/dbraw/zinc/07/22/48/823072248.db2.gz FCVBIUFZISIEOE-DFNIBXOVSA-N 1 0 376.460 4.097 20 30 GIEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1OCCCC#N ZINC000175978899 823087643 /nfs/dbraw/zinc/08/76/43/823087643.db2.gz ULXWFCKCEUJXIR-LJQANCHMSA-N 1 0 399.922 4.400 20 30 GIEDRO CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458799968 823087656 /nfs/dbraw/zinc/08/76/56/823087656.db2.gz KSVHJLRAYZUSIK-XZOQPEGZSA-N 1 0 390.531 4.337 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000458801824 823087967 /nfs/dbraw/zinc/08/79/67/823087967.db2.gz OBKIGTUUBGQDHE-QFIPXVFZSA-N 1 0 382.552 4.329 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153157 823089976 /nfs/dbraw/zinc/08/99/76/823089976.db2.gz QEEVUDQFUVWVMB-RTBURBONSA-N 1 0 391.515 4.179 20 30 GIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153162 823089985 /nfs/dbraw/zinc/08/99/85/823089985.db2.gz BWPFUNNFWHLJOY-RBUKOAKNSA-N 1 0 393.531 4.403 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153154 823090220 /nfs/dbraw/zinc/09/02/20/823090220.db2.gz QEEVUDQFUVWVMB-OALUTQOASA-N 1 0 391.515 4.179 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175992488 823090643 /nfs/dbraw/zinc/09/06/43/823090643.db2.gz DPCOIMFYOZNZPJ-GHTZIAJQSA-N 1 0 393.556 4.427 20 30 GIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)CC1 ZINC000176003495 823092842 /nfs/dbraw/zinc/09/28/42/823092842.db2.gz CYHBXJCJQXGGRN-UHFFFAOYSA-N 1 0 393.556 4.464 20 30 GIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000570836140 823093601 /nfs/dbraw/zinc/09/36/01/823093601.db2.gz NMYVFFXNLCFHTM-KRWDZBQOSA-N 1 0 394.372 4.141 20 30 GIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000570836144 823093614 /nfs/dbraw/zinc/09/36/14/823093614.db2.gz NMYVFFXNLCFHTM-QGZVFWFLSA-N 1 0 394.372 4.141 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000570859888 823097251 /nfs/dbraw/zinc/09/72/51/823097251.db2.gz LAUJHSYCSGIMEE-MRXNPFEDSA-N 1 0 379.851 4.036 20 30 GIEDRO C=CCn1c(COc2ccccc2F)nnc1SCCC[NH+]1CCCCC1 ZINC000187662149 823108097 /nfs/dbraw/zinc/10/80/97/823108097.db2.gz VYYDXUIPOJHYMG-UHFFFAOYSA-N 1 0 390.528 4.150 20 30 GIEDRO CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459021441 823117725 /nfs/dbraw/zinc/11/77/25/823117725.db2.gz XFEJPXIBJUGLMG-BVSLBCMMSA-N 1 0 382.552 4.155 20 30 GIEDRO C=CCC1(CNC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)CCCC1 ZINC000459105044 823128737 /nfs/dbraw/zinc/12/87/37/823128737.db2.gz OSQHXHPYFDIZOD-NRFANRHFSA-N 1 0 384.568 4.214 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000121166261 823131034 /nfs/dbraw/zinc/13/10/34/823131034.db2.gz XHDIUDNKKAPRNB-QHCPKHFHSA-N 1 0 381.472 4.272 20 30 GIEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000571420314 823180381 /nfs/dbraw/zinc/18/03/81/823180381.db2.gz MRKPNZFJSSUISV-UHFFFAOYSA-N 1 0 387.959 4.341 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176323669 823181877 /nfs/dbraw/zinc/18/18/77/823181877.db2.gz OIQOCENNNIKVKC-UHFFFAOYSA-N 1 0 384.524 4.264 20 30 GIEDRO CC1(C)CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000571435883 823182257 /nfs/dbraw/zinc/18/22/57/823182257.db2.gz YWBWNJARDDVZFE-KSEOMHKRSA-N 1 0 394.563 4.011 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CC1 ZINC000176336892 823185826 /nfs/dbraw/zinc/18/58/26/823185826.db2.gz KHRHDGSLUBIDLF-UHFFFAOYSA-N 1 0 399.560 4.263 20 30 GIEDRO N#Cc1cc(F)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Br ZINC000571444525 823183620 /nfs/dbraw/zinc/18/36/20/823183620.db2.gz OBLRIVHOONTTPY-INIZCTEOSA-N 1 0 378.245 4.302 20 30 GIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)C(C)C ZINC000056690925 823193576 /nfs/dbraw/zinc/19/35/76/823193576.db2.gz CJSHHDOENHFDSV-FQEVSTJZSA-N 1 0 386.540 4.082 20 30 GIEDRO CC(C)(C#N)CCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459499798 823205229 /nfs/dbraw/zinc/20/52/29/823205229.db2.gz CGQPVULCCAQSPB-UHFFFAOYSA-N 1 0 388.987 4.256 20 30 GIEDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000571605154 823207334 /nfs/dbraw/zinc/20/73/34/823207334.db2.gz XJAXCZJKLLPNBK-FOIQADDNSA-N 1 0 376.422 4.296 20 30 GIEDRO CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459598631 823227515 /nfs/dbraw/zinc/22/75/15/823227515.db2.gz YYARRHBMFGKTDH-WBVHZDCISA-N 1 0 383.521 4.013 20 30 GIEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787776 823234462 /nfs/dbraw/zinc/23/44/62/823234462.db2.gz CGUMBKFZQHFABP-ZEQRLZLVSA-N 1 0 393.531 4.012 20 30 GIEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662125 823244132 /nfs/dbraw/zinc/24/41/32/823244132.db2.gz NIVNDLVUAPAZFW-GOSISDBHSA-N 1 0 382.426 4.008 20 30 GIEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000571994905 823267095 /nfs/dbraw/zinc/26/70/95/823267095.db2.gz RANPANQAIJPGAZ-UZLBHIALSA-N 1 0 392.528 4.267 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Br ZINC000572083265 823280601 /nfs/dbraw/zinc/28/06/01/823280601.db2.gz ILSNWTBGRWWWOT-LBPRGKRZSA-N 1 0 375.266 4.189 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OCC ZINC000007266830 817808103 /nfs/dbraw/zinc/80/81/03/817808103.db2.gz NFFFCQHLUYWZFL-CVEARBPZSA-N 1 0 381.476 4.033 20 30 GIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409729649 823292691 /nfs/dbraw/zinc/29/26/91/823292691.db2.gz DZOHTHWASYUVFB-UHFFFAOYSA-N 1 0 389.425 4.110 20 30 GIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)ccc1F ZINC000176819453 823301200 /nfs/dbraw/zinc/30/12/00/823301200.db2.gz REAIIXMCJGLCHI-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)c(C)n1C ZINC000011170440 818058655 /nfs/dbraw/zinc/05/86/55/818058655.db2.gz AINYOFFYJZYPFZ-UHFFFAOYSA-O 1 0 382.484 4.119 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(F)c1 ZINC000011435019 818081024 /nfs/dbraw/zinc/08/10/24/818081024.db2.gz ZSQLEGXQFADEMV-UHFFFAOYSA-N 1 0 385.508 4.488 20 30 GIEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013443569 818212701 /nfs/dbraw/zinc/21/27/01/818212701.db2.gz IMOJUBIDGIQNIK-UHFFFAOYSA-N 1 0 375.516 4.023 20 30 GIEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1Oc1ccccc1 ZINC000188889255 823323476 /nfs/dbraw/zinc/32/34/76/823323476.db2.gz LYAZCPYVMPBZCD-UHFFFAOYSA-N 1 0 388.471 4.219 20 30 GIEDRO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015099625 818290340 /nfs/dbraw/zinc/29/03/40/818290340.db2.gz DDCJHKMAHAOZPX-UHFFFAOYSA-N 1 0 397.544 4.146 20 30 GIEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000572387961 823331452 /nfs/dbraw/zinc/33/14/52/823331452.db2.gz CRMVVRFEPGHOFZ-QFIPXVFZSA-N 1 0 391.515 4.018 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000057964468 823351011 /nfs/dbraw/zinc/35/10/11/823351011.db2.gz RUHSEJLVHVEOKJ-INIZCTEOSA-N 1 0 380.488 4.386 20 30 GIEDRO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nc2cc(Cl)ccc2c1=O ZINC000058084989 823361008 /nfs/dbraw/zinc/36/10/08/823361008.db2.gz ZLPCPWSAHLKOAW-OAHLLOKOSA-N 1 0 377.941 4.202 20 30 GIEDRO CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(CC)CC)cc1 ZINC000022686581 818843863 /nfs/dbraw/zinc/84/38/63/818843863.db2.gz RRFUFZPYFYTESA-UHFFFAOYSA-O 1 0 386.585 4.381 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686989 818844301 /nfs/dbraw/zinc/84/43/01/818844301.db2.gz PVDXEZHHKKKZNX-UHFFFAOYSA-O 1 0 395.573 4.483 20 30 GIEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460374421 823368229 /nfs/dbraw/zinc/36/82/29/823368229.db2.gz LEZZPIBGJFVXOU-APWZRJJASA-N 1 0 385.943 4.238 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460374742 823368397 /nfs/dbraw/zinc/36/83/97/823368397.db2.gz MLMWANFXBBXZQN-OAQYLSRUSA-N 1 0 397.542 4.039 20 30 GIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)c1 ZINC000022730747 818852011 /nfs/dbraw/zinc/85/20/11/818852011.db2.gz OELCDVFGKKTXEL-UHFFFAOYSA-O 1 0 375.517 4.320 20 30 GIEDRO CNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734377 818852626 /nfs/dbraw/zinc/85/26/26/818852626.db2.gz KJGPFIZMQDCPPF-UHFFFAOYSA-O 1 0 389.544 4.340 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1 ZINC000022735368 818853232 /nfs/dbraw/zinc/85/32/32/818853232.db2.gz BPGDOEZPYDIAOY-UHFFFAOYSA-O 1 0 375.517 4.054 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022804882 818862331 /nfs/dbraw/zinc/86/23/31/818862331.db2.gz SIFFVRMCMYLKAQ-UHFFFAOYSA-O 1 0 389.491 4.070 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(CCC)cc1 ZINC000022798922 818862495 /nfs/dbraw/zinc/86/24/95/818862495.db2.gz BKQHADUJKZCJCW-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO C=C(C)Cn1c(C(C)C)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460377304 823369277 /nfs/dbraw/zinc/36/92/77/823369277.db2.gz XRUKVOMYGYFLCL-XMMPIXPASA-N 1 0 393.579 4.470 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)sc2c1CCC2 ZINC000177167806 823389092 /nfs/dbraw/zinc/38/90/92/823389092.db2.gz JBDPYRGYXCNPCD-UHFFFAOYSA-N 1 0 385.455 4.101 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000122734020 823402382 /nfs/dbraw/zinc/40/23/82/823402382.db2.gz FAMCWVBHPMSHSE-UHFFFAOYSA-N 1 0 395.532 4.014 20 30 GIEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177243142 823408371 /nfs/dbraw/zinc/40/83/71/823408371.db2.gz FHTAXJFDIVHYET-UHFFFAOYSA-N 1 0 383.536 4.021 20 30 GIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460544744 823426445 /nfs/dbraw/zinc/42/64/45/823426445.db2.gz PIDHVWXCXNDNQS-IRLDBZIGSA-N 1 0 393.579 4.093 20 30 GIEDRO C=CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000189539921 823440053 /nfs/dbraw/zinc/44/00/53/823440053.db2.gz OBHLDCPOCOQBSD-NFBKMPQASA-N 1 0 392.543 4.363 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)Nc2ccccc2)cc1 ZINC000027184103 820207597 /nfs/dbraw/zinc/20/75/97/820207597.db2.gz NKNMXXSTZFFDMU-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccccc1CC ZINC000027311679 820223622 /nfs/dbraw/zinc/22/36/22/820223622.db2.gz ZEEINTYYPPTOCQ-UHFFFAOYSA-O 1 0 379.505 4.387 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027326183 820224622 /nfs/dbraw/zinc/22/46/22/820224622.db2.gz GHXAVQNZWBGJNE-UHFFFAOYSA-O 1 0 397.564 4.190 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1cccc(C)c1 ZINC000027327500 820224772 /nfs/dbraw/zinc/22/47/72/820224772.db2.gz ARAJBVFMBKKPDM-UHFFFAOYSA-O 1 0 393.479 4.212 20 30 GIEDRO O=C(c1cc(F)ccc1F)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027329773 820225183 /nfs/dbraw/zinc/22/51/83/820225183.db2.gz YQTDEZLFRJLCTF-UHFFFAOYSA-O 1 0 375.464 4.113 20 30 GIEDRO O=C(c1ccc(F)cc1F)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027329658 820225256 /nfs/dbraw/zinc/22/52/56/820225256.db2.gz ZXJBQEJIWNCYQH-UHFFFAOYSA-O 1 0 375.464 4.113 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2CCCCC2)c1 ZINC000027329858 820225275 /nfs/dbraw/zinc/22/52/75/820225275.db2.gz JHEKURWUILCOKM-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)c1 ZINC000027485306 820250608 /nfs/dbraw/zinc/25/06/08/820250608.db2.gz MCSKCECFNXENQN-FXAWDEMLSA-O 1 0 397.564 4.398 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccs1 ZINC000027680160 820274660 /nfs/dbraw/zinc/27/46/60/820274660.db2.gz PDLUOSRQYXLKTE-HXUWFJFHSA-N 1 0 375.497 4.319 20 30 GIEDRO C=CCc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000028173889 820315364 /nfs/dbraw/zinc/31/53/64/820315364.db2.gz UWEXPSTWMCZMEZ-UHFFFAOYSA-N 1 0 380.488 4.280 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000410361282 823474339 /nfs/dbraw/zinc/47/43/39/823474339.db2.gz VDXXTASWEAFAIW-RBUKOAKNSA-N 1 0 390.531 4.493 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000177497164 823476840 /nfs/dbraw/zinc/47/68/40/823476840.db2.gz HYWIMXDELULHOI-HXUWFJFHSA-N 1 0 397.563 4.301 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1Cl ZINC000029754499 820511274 /nfs/dbraw/zinc/51/12/74/820511274.db2.gz HYIIZLNQFKWORF-JXFKEZNVSA-N 1 0 399.922 4.178 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(C)C ZINC000030454964 820618621 /nfs/dbraw/zinc/61/86/21/820618621.db2.gz XQIHCTNVRJLQDA-JKSUJKDBSA-N 1 0 381.476 4.032 20 30 GIEDRO C=CCN1CCC([NH2+]Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000177578904 823495528 /nfs/dbraw/zinc/49/55/28/823495528.db2.gz NMGRWAASANPXHQ-UHFFFAOYSA-N 1 0 382.552 4.054 20 30 GIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000177694250 823514170 /nfs/dbraw/zinc/51/41/70/823514170.db2.gz MGQJRSBROYTCRO-UHFFFAOYSA-N 1 0 391.334 4.220 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460806189 823517538 /nfs/dbraw/zinc/51/75/38/823517538.db2.gz WBGBGLCPIHJQJF-LAUBAEHRSA-N 1 0 392.551 4.169 20 30 GIEDRO [NH2+]=C(NCc1csc(-c2ccco2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000123616409 823526232 /nfs/dbraw/zinc/52/62/32/823526232.db2.gz RZYRBFQGQOKTHQ-UHFFFAOYSA-N 1 0 382.367 4.229 20 30 GIEDRO CC[N@H+](CC(=O)NCc1ccc(COC(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469442 823531747 /nfs/dbraw/zinc/53/17/47/823531747.db2.gz KUGIBCMKWFFHSJ-LJQANCHMSA-N 1 0 393.531 4.183 20 30 GIEDRO C=CCOc1ccc(C[N@H+](Cc2cc(=O)n3ccccc3n2)C(C)(C)C)cc1 ZINC000177848047 823535778 /nfs/dbraw/zinc/53/57/78/823535778.db2.gz ZKDAVAKZTYGPEF-UHFFFAOYSA-N 1 0 377.488 4.060 20 30 GIEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180635376 821376870 /nfs/dbraw/zinc/37/68/70/821376870.db2.gz DMCKUDNGVSXAJC-QGZVFWFLSA-N 1 0 376.426 4.109 20 30 GIEDRO CC(C)c1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043230981 821377707 /nfs/dbraw/zinc/37/77/07/821377707.db2.gz YSQZGRLNZYVDJH-UHFFFAOYSA-N 1 0 376.504 4.421 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810932 821472156 /nfs/dbraw/zinc/47/21/56/821472156.db2.gz SMIYDCOSMBKNJD-VQIMIIECSA-N 1 0 396.487 4.388 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000044803201 821665226 /nfs/dbraw/zinc/66/52/26/821665226.db2.gz PJCMYSKCGKFCAA-RYUDHWBXSA-N 1 0 393.821 4.491 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286774 821735839 /nfs/dbraw/zinc/73/58/39/821735839.db2.gz RMOGNBBEEVGROT-ZWKOTPCHSA-N 1 0 376.504 4.130 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000181388560 821800637 /nfs/dbraw/zinc/80/06/37/821800637.db2.gz WPNQRAIHABTAQU-QFIPXVFZSA-N 1 0 394.588 4.011 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccnc3OC3CCCC3)CC2)cc1 ZINC000181488896 821849055 /nfs/dbraw/zinc/84/90/55/821849055.db2.gz KABRHGUQDLLCGC-UHFFFAOYSA-N 1 0 390.531 4.029 20 30 GIEDRO N#CC1(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)CC1 ZINC000181566420 821882971 /nfs/dbraw/zinc/88/29/71/821882971.db2.gz JLGXTHMNZBVUOM-UPVQGACJSA-N 1 0 399.538 4.368 20 30 GIEDRO CCOc1ccc(C2(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)CCOCC2)cc1 ZINC000181569788 821884028 /nfs/dbraw/zinc/88/40/28/821884028.db2.gz WHPLRDBOBGGOCI-LJQANCHMSA-N 1 0 394.515 4.387 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC000181696322 821947867 /nfs/dbraw/zinc/94/78/67/821947867.db2.gz OMIPDYDNIXUDQN-UHFFFAOYSA-N 1 0 391.487 4.167 20 30 GIEDRO C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181739532 821970663 /nfs/dbraw/zinc/97/06/63/821970663.db2.gz HLMOZKSXHYLBPZ-GOSISDBHSA-N 1 0 380.488 4.135 20 30 GIEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc(C#N)c1 ZINC000181748533 821975110 /nfs/dbraw/zinc/97/51/10/821975110.db2.gz SXDDGTXXZLOFOS-QGZVFWFLSA-N 1 0 385.471 4.126 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000181758902 821979717 /nfs/dbraw/zinc/97/97/17/821979717.db2.gz WGVXYBJCIFXSIR-SFHVURJKSA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(-n2cccn2)c1 ZINC000181843609 822014997 /nfs/dbraw/zinc/01/49/97/822014997.db2.gz IBXDMVOZIXZVND-LJQANCHMSA-N 1 0 385.515 4.059 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181920069 822036537 /nfs/dbraw/zinc/03/65/37/822036537.db2.gz ZEDLEVZZPFLFFE-GOSISDBHSA-N 1 0 377.488 4.066 20 30 GIEDRO C#CCCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182057700 822077081 /nfs/dbraw/zinc/07/70/81/822077081.db2.gz BZCRJCXVTSYDGV-UHFFFAOYSA-N 1 0 377.532 4.231 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072065 822082068 /nfs/dbraw/zinc/08/20/68/822082068.db2.gz RNISKTXDLDZJAP-RCZVLFRGSA-N 1 0 389.543 4.280 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110648 822098060 /nfs/dbraw/zinc/09/80/60/822098060.db2.gz CMABDEYQRDSWIL-GOTSBHOMSA-N 1 0 395.934 4.296 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccnn3Cc3ccccc3F)CC2)cc1 ZINC000182388638 822225555 /nfs/dbraw/zinc/22/55/55/822225555.db2.gz MZJXQTUGQXJUNG-UHFFFAOYSA-N 1 0 389.478 4.019 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000178033897 822291671 /nfs/dbraw/zinc/29/16/71/822291671.db2.gz LHZUWPSMSQJMDB-GOSISDBHSA-N 1 0 378.476 4.156 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1 ZINC000182596862 822317083 /nfs/dbraw/zinc/31/70/83/822317083.db2.gz UGCZOMDJYWBXGW-IBGZPJMESA-N 1 0 393.878 4.077 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182645273 822336898 /nfs/dbraw/zinc/33/68/98/822336898.db2.gz DXYUMMZDBGVJNU-SJORKVTESA-N 1 0 391.471 4.427 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176671 822343092 /nfs/dbraw/zinc/34/30/92/822343092.db2.gz GZOQJUXRIJUCQY-IRXDYDNUSA-N 1 0 385.533 4.001 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178533664 822388963 /nfs/dbraw/zinc/38/89/63/822388963.db2.gz YSPCNZHDNYXTTC-JTHBVZDNSA-N 1 0 388.515 4.385 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1C ZINC000178550412 822390931 /nfs/dbraw/zinc/39/09/31/822390931.db2.gz JZOMQADVQNJSCV-FQEVSTJZSA-N 1 0 376.504 4.243 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)C2CCCCC2)c1C#N ZINC000182936183 822396054 /nfs/dbraw/zinc/39/60/54/822396054.db2.gz HXVCCVXVHTZPQD-INIZCTEOSA-N 1 0 382.508 4.115 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000178802408 822411702 /nfs/dbraw/zinc/41/17/02/822411702.db2.gz VRLCLPJZPUXXDC-PXNSSMCTSA-N 1 0 376.516 4.075 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000045780087 822412812 /nfs/dbraw/zinc/41/28/12/822412812.db2.gz VNUSWEFFOORNBN-IBGZPJMESA-N 1 0 390.531 4.274 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cccc(Cl)c1)C(=S)NCCSC ZINC000178904225 822420511 /nfs/dbraw/zinc/42/05/11/822420511.db2.gz NBXBZKQMWQOKDG-UHFFFAOYSA-O 1 0 393.985 4.081 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045977029 822428541 /nfs/dbraw/zinc/42/85/41/822428541.db2.gz BHXBPELFYSRBCF-UHFFFAOYSA-N 1 0 390.531 4.276 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000454269812 822447213 /nfs/dbraw/zinc/44/72/13/822447213.db2.gz DSKLWQJRZVAFKU-HXUWFJFHSA-N 1 0 379.504 4.063 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000179372485 822472938 /nfs/dbraw/zinc/47/29/38/822472938.db2.gz OFRWBAWOKFNKKB-JKSUJKDBSA-N 1 0 385.533 4.360 20 30 GIEDRO CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464596 822486480 /nfs/dbraw/zinc/48/64/80/822486480.db2.gz IDRAJVHSARLWFX-INIZCTEOSA-N 1 0 388.471 4.303 20 30 GIEDRO CC[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463852 822486518 /nfs/dbraw/zinc/48/65/18/822486518.db2.gz RTGRYQPHQHMPBY-SFHVURJKSA-N 1 0 391.515 4.046 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000179591874 822508714 /nfs/dbraw/zinc/50/87/14/822508714.db2.gz GZXVHQIEGNQRBH-NSHDSACASA-N 1 0 379.794 4.102 20 30 GIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594213 822509133 /nfs/dbraw/zinc/50/91/33/822509133.db2.gz FJJGHRYGHASWNW-DZIBYMRMSA-N 1 0 394.475 4.162 20 30 GIEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594406 822509191 /nfs/dbraw/zinc/50/91/91/822509191.db2.gz BTOASMAOLCNBHD-RYHLMMNBSA-N 1 0 379.504 4.263 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179595203 822509350 /nfs/dbraw/zinc/50/93/50/822509350.db2.gz XLLHRKQIQHCZEY-NEPJUHHUSA-N 1 0 377.391 4.047 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000183715077 822515797 /nfs/dbraw/zinc/51/57/97/822515797.db2.gz HDZZXAURNVVGDG-MRXNPFEDSA-N 1 0 396.560 4.454 20 30 GIEDRO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730155 822537101 /nfs/dbraw/zinc/53/71/01/822537101.db2.gz CFSUVFPAIFCTNH-NRFANRHFSA-N 1 0 393.531 4.196 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179733805 822537937 /nfs/dbraw/zinc/53/79/37/822537937.db2.gz AQESJOOEQATLFJ-IEBWSBKVSA-N 1 0 397.544 4.123 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179733793 822538078 /nfs/dbraw/zinc/53/80/78/822538078.db2.gz AQESJOOEQATLFJ-PKOBYXMFSA-N 1 0 397.544 4.123 20 30 GIEDRO C=CCC1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000454871410 822549170 /nfs/dbraw/zinc/54/91/70/822549170.db2.gz LCUUKCSBIOROGF-UHFFFAOYSA-N 1 0 387.490 4.227 20 30 GIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)NC(C)C ZINC000179844835 822565175 /nfs/dbraw/zinc/56/51/75/822565175.db2.gz TVGMNFYQCNDISJ-UHFFFAOYSA-N 1 0 390.531 4.081 20 30 GIEDRO Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179933553 822579877 /nfs/dbraw/zinc/57/98/77/822579877.db2.gz AGJHQVCQMWHNJP-UHFFFAOYSA-N 1 0 387.443 4.032 20 30 GIEDRO Cn1cc(C[NH+]2CCC(COc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179953011 822584624 /nfs/dbraw/zinc/58/46/24/822584624.db2.gz UELHIXANEUVUTI-UHFFFAOYSA-N 1 0 386.499 4.250 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964262 822586732 /nfs/dbraw/zinc/58/67/32/822586732.db2.gz VEINMTHMOLVTLJ-QRQCRPRQSA-N 1 0 381.451 4.077 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180016358 822597060 /nfs/dbraw/zinc/59/70/60/822597060.db2.gz SJGLTESNKGWYRN-UYAOXDASSA-N 1 0 392.503 4.106 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184219983 822598225 /nfs/dbraw/zinc/59/82/25/822598225.db2.gz APSDOBOAWFCYCI-UHFFFAOYSA-N 1 0 378.476 4.217 20 30 GIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180027144 822599875 /nfs/dbraw/zinc/59/98/75/822599875.db2.gz ZAZXTDOHGSPBFD-QHCPKHFHSA-N 1 0 387.531 4.131 20 30 GIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180033066 822601374 /nfs/dbraw/zinc/60/13/74/822601374.db2.gz VYHHBWXRMMPHER-ZWKOTPCHSA-N 1 0 392.503 4.325 20 30 GIEDRO COc1ccc2cc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)ccc2c1 ZINC000180038228 822602436 /nfs/dbraw/zinc/60/24/36/822602436.db2.gz RQUSHCFJSGZQKY-UHFFFAOYSA-N 1 0 382.467 4.410 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000180073624 822609955 /nfs/dbraw/zinc/60/99/55/822609955.db2.gz NSUCFSJVMZNVNU-SFHVURJKSA-N 1 0 392.503 4.106 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000184299516 822610807 /nfs/dbraw/zinc/61/08/07/822610807.db2.gz MUOREFIJSMDNDB-MOPGFXCFSA-N 1 0 398.551 4.486 20 30 GIEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184310768 822612350 /nfs/dbraw/zinc/61/23/50/822612350.db2.gz HQEFXHYFUIHZGL-LJQANCHMSA-N 1 0 394.519 4.353 20 30 GIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000184336974 822617850 /nfs/dbraw/zinc/61/78/50/822617850.db2.gz QNBFFSWJYLNOKH-KRWDZBQOSA-N 1 0 380.492 4.141 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000455251778 822618103 /nfs/dbraw/zinc/61/81/03/822618103.db2.gz TWRDANPTLGGHDR-UHFFFAOYSA-N 1 0 386.584 4.076 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000184345994 822619605 /nfs/dbraw/zinc/61/96/05/822619605.db2.gz XJNFYGOFUGLAJI-KRWDZBQOSA-N 1 0 380.492 4.010 20 30 GIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180193098 822636544 /nfs/dbraw/zinc/63/65/44/822636544.db2.gz DOCXBFZQYLIRPL-HNNXBMFYSA-N 1 0 379.533 4.479 20 30 GIEDRO C[C@H]([NH2+]C(C)(C)CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180212241 822640365 /nfs/dbraw/zinc/64/03/65/822640365.db2.gz XOFZIIUWLDPYGU-SFHVURJKSA-N 1 0 387.531 4.178 20 30 GIEDRO N#CC1(c2ccc(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)cc2)CC1 ZINC000180219433 822641630 /nfs/dbraw/zinc/64/16/30/822641630.db2.gz XLMWIDKXNFWVAU-UHFFFAOYSA-N 1 0 387.527 4.022 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180221827 822642210 /nfs/dbraw/zinc/64/22/10/822642210.db2.gz LQCQMNHQLKAXBW-QGZVFWFLSA-N 1 0 380.455 4.052 20 30 GIEDRO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180222593 822642456 /nfs/dbraw/zinc/64/24/56/822642456.db2.gz XNGSZLJOKVIJGZ-LJQANCHMSA-N 1 0 399.542 4.274 20 30 GIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000180282212 822654717 /nfs/dbraw/zinc/65/47/17/822654717.db2.gz JCOWUPYXUZPEIU-DVECYGJZSA-N 1 0 399.542 4.101 20 30 GIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327938 822664199 /nfs/dbraw/zinc/66/41/99/822664199.db2.gz RENJLTMRQXWMQE-FGZHOGPDSA-N 1 0 376.431 4.141 20 30 GIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327957 822664219 /nfs/dbraw/zinc/66/42/19/822664219.db2.gz RENJLTMRQXWMQE-FCHUYYIVSA-N 1 0 376.431 4.141 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)C(C)C ZINC000455498164 822666181 /nfs/dbraw/zinc/66/61/81/822666181.db2.gz BZQHHVUGYJNISM-HXUWFJFHSA-N 1 0 382.508 4.470 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180402800 822675968 /nfs/dbraw/zinc/67/59/68/822675968.db2.gz BEDYDQWYSHWFFD-ZDUSSCGKSA-N 1 0 398.488 4.086 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc([N+](=O)[O-])c1 ZINC000180411010 822677306 /nfs/dbraw/zinc/67/73/06/822677306.db2.gz XYWPPZPSBSCBPV-LSDHHAIUSA-N 1 0 398.488 4.278 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180548892 822700160 /nfs/dbraw/zinc/70/01/60/822700160.db2.gz HAZWDNJIWJXWCA-SFHVURJKSA-N 1 0 387.277 4.355 20 30 GIEDRO C[C@H](CCNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000455702818 822706866 /nfs/dbraw/zinc/70/68/66/822706866.db2.gz LNHJXMAKQPMRSX-MRXNPFEDSA-N 1 0 384.911 4.438 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604103 822710035 /nfs/dbraw/zinc/71/00/35/822710035.db2.gz LDIWXTBRCZHWNF-QGZVFWFLSA-N 1 0 397.494 4.153 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000455725064 822714381 /nfs/dbraw/zinc/71/43/81/822714381.db2.gz CRFIEOOJZKLWOE-GOSISDBHSA-N 1 0 382.895 4.050 20 30 GIEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455733702 822716552 /nfs/dbraw/zinc/71/65/52/822716552.db2.gz OJEAPONQGXWBRH-NRFANRHFSA-N 1 0 396.922 4.438 20 30 GIEDRO CSc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184948532 822717180 /nfs/dbraw/zinc/71/71/80/822717180.db2.gz ITTCEZRNDBBJSA-UHFFFAOYSA-N 1 0 394.544 4.328 20 30 GIEDRO N#CCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000455743803 822718280 /nfs/dbraw/zinc/71/82/80/822718280.db2.gz CZVPLYLVLLJDKU-UHFFFAOYSA-N 1 0 382.895 4.146 20 30 GIEDRO N#CCc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)c1 ZINC000455744283 822718436 /nfs/dbraw/zinc/71/84/36/822718436.db2.gz FDMWGQJKWJWBGC-HXUWFJFHSA-N 1 0 382.895 4.365 20 30 GIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(CC#N)c1 ZINC000455909932 822747150 /nfs/dbraw/zinc/74/71/50/822747150.db2.gz SXHVWRMZWKQTSA-ROUUACIJSA-N 1 0 376.504 4.031 20 30 GIEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000455911843 822747684 /nfs/dbraw/zinc/74/76/84/822747684.db2.gz WTGGTTUYANWVQH-GHTZIAJQSA-N 1 0 376.504 4.175 20 30 GIEDRO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133472 822747782 /nfs/dbraw/zinc/74/77/82/822747782.db2.gz ZTLBUDSODQTAST-ZJSXRUAMSA-N 1 0 391.515 4.033 20 30 GIEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455935518 822752763 /nfs/dbraw/zinc/75/27/63/822752763.db2.gz AZXKHLUGXFDBGB-INIZCTEOSA-N 1 0 380.517 4.267 20 30 GIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 ZINC000455942243 822754457 /nfs/dbraw/zinc/75/44/57/822754457.db2.gz UWUCRLAEWKQBNQ-HSZRJFAPSA-N 1 0 386.499 4.428 20 30 GIEDRO C[C@H](NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1)c1cccs1 ZINC000185583391 822799203 /nfs/dbraw/zinc/79/92/03/822799203.db2.gz YKPOFXUVJVTCLU-HNNXBMFYSA-O 1 0 392.529 4.197 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)oc21 ZINC000052712322 822808054 /nfs/dbraw/zinc/80/80/54/822808054.db2.gz OVKMYAUFVMWXMS-HUUCEWRRSA-N 1 0 377.444 4.381 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)oc21 ZINC000052712345 822808262 /nfs/dbraw/zinc/80/82/62/822808262.db2.gz HSMJHZGWLXSEPN-GJZGRUSLSA-N 1 0 377.444 4.381 20 30 GIEDRO C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754746 822817990 /nfs/dbraw/zinc/81/79/90/822817990.db2.gz KXHKVGUNKJXMMA-AEFFLSMTSA-N 1 0 380.454 4.179 20 30 GIEDRO C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754724 822818014 /nfs/dbraw/zinc/81/80/14/822818014.db2.gz KXHKVGUNKJXMMA-WMZOPIPTSA-N 1 0 380.454 4.179 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456679651 822822002 /nfs/dbraw/zinc/82/20/02/822822002.db2.gz CBJBSVCPIKMTNA-UHFFFAOYSA-N 1 0 382.426 4.017 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000174769832 822834876 /nfs/dbraw/zinc/83/48/76/822834876.db2.gz WBUPZLZJKZTZQC-UHFFFAOYSA-N 1 0 385.552 4.277 20 30 GIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000174809578 822840582 /nfs/dbraw/zinc/84/05/82/822840582.db2.gz NEHRHSALKFOLGO-UHFFFAOYSA-N 1 0 384.402 4.066 20 30 GIEDRO COc1ccc(CCC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053847349 822850642 /nfs/dbraw/zinc/85/06/42/822850642.db2.gz PGWMEMXDIVFPBD-UHFFFAOYSA-N 1 0 397.544 4.302 20 30 GIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000054426322 822883883 /nfs/dbraw/zinc/88/38/83/822883883.db2.gz PTMJVRFXNRYVBM-IBGZPJMESA-N 1 0 395.528 4.283 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC(C)C)cc1 ZINC000055009732 822930512 /nfs/dbraw/zinc/93/05/12/822930512.db2.gz IQONLGVRIKRKSZ-UHFFFAOYSA-O 1 0 377.480 4.142 20 30 GIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccccc2C)[n+]2ccccc2)cc1 ZINC000055011369 822930822 /nfs/dbraw/zinc/93/08/22/822930822.db2.gz CRGVGXBOPSQBPJ-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO CC(C)c1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055014510 822931398 /nfs/dbraw/zinc/93/13/98/822931398.db2.gz ZKQHCUUAWLSVHC-UHFFFAOYSA-O 1 0 398.596 4.490 20 30 GIEDRO N#CC1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000175372274 822949876 /nfs/dbraw/zinc/94/98/76/822949876.db2.gz LSYRJPVLRPJQNH-UHFFFAOYSA-N 1 0 390.531 4.024 20 30 GIEDRO CCC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000055294193 822950253 /nfs/dbraw/zinc/95/02/53/822950253.db2.gz BPSLORLYTJBWNM-HSZRJFAPSA-N 1 0 375.516 4.176 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000175381466 822953040 /nfs/dbraw/zinc/95/30/40/822953040.db2.gz CYEFVFLQZTXQPJ-SQGPQFPESA-O 1 0 397.539 4.447 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NC2CCCCC2)cc1 ZINC000186961764 822988050 /nfs/dbraw/zinc/98/80/50/822988050.db2.gz DSTMEHXIDICFKT-UHFFFAOYSA-O 1 0 386.541 4.002 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1ccccc1)[n+]1cccc(C)c1 ZINC000186963536 822988389 /nfs/dbraw/zinc/98/83/89/822988389.db2.gz VVBPCJWKTXZSIW-OAHLLOKOSA-O 1 0 394.520 4.177 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000175528567 822991411 /nfs/dbraw/zinc/99/14/11/822991411.db2.gz MZAOGKPXSPAEMN-IBGZPJMESA-N 1 0 377.513 4.020 20 30 GIEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000175697451 823022745 /nfs/dbraw/zinc/02/27/45/823022745.db2.gz QPVMPBCVCKYEPS-FQEVSTJZSA-N 1 0 379.529 4.087 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000570471713 823042662 /nfs/dbraw/zinc/04/26/62/823042662.db2.gz GCTAYIZMVZAHDQ-ISKFKSNPSA-N 1 0 390.458 4.011 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000177912199 823545418 /nfs/dbraw/zinc/54/54/18/823545418.db2.gz LLDAZQUGCKKVIC-GFCCVEGCSA-N 1 0 376.394 4.190 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460936310 823546163 /nfs/dbraw/zinc/54/61/63/823546163.db2.gz XZEMRMIHVBAIFE-GOSISDBHSA-N 1 0 385.581 4.346 20 30 GIEDRO C=C(C)Cn1c(COCC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460944288 823547696 /nfs/dbraw/zinc/54/76/96/823547696.db2.gz QJJOURQJNOXRSB-TZIWHRDSSA-N 1 0 397.567 4.053 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460954625 823549854 /nfs/dbraw/zinc/54/98/54/823549854.db2.gz CINAYGBLNDIICG-VQIMIIECSA-N 1 0 385.943 4.238 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)ccc1OC ZINC000060949537 823568854 /nfs/dbraw/zinc/56/88/54/823568854.db2.gz DNWMLTQNVCOWAK-SFHVURJKSA-N 1 0 395.421 4.492 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000411445070 823574820 /nfs/dbraw/zinc/57/48/20/823574820.db2.gz GBYZLZDGAXSWTM-QGZVFWFLSA-N 1 0 395.503 4.281 20 30 GIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190455671 823576896 /nfs/dbraw/zinc/57/68/96/823576896.db2.gz LEAKGJVYLWQGGB-AWEZNQCLSA-N 1 0 392.528 4.439 20 30 GIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC000461110280 823579337 /nfs/dbraw/zinc/57/93/37/823579337.db2.gz PCTGURAVBOWDDD-UOTACSKNSA-N 1 0 384.520 4.206 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCN(c4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000411521277 823584246 /nfs/dbraw/zinc/58/42/46/823584246.db2.gz SQVZLQPGYJNFQS-MGPUTAFESA-N 1 0 389.455 4.078 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411547513 823587218 /nfs/dbraw/zinc/58/72/18/823587218.db2.gz VNSBRARCKVLVTR-ZDUSSCGKSA-N 1 0 399.564 4.048 20 30 GIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614129 823591863 /nfs/dbraw/zinc/59/18/63/823591863.db2.gz HILNVYRKEFMWJY-SBUREZEXSA-N 1 0 399.494 4.172 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000190626764 823593061 /nfs/dbraw/zinc/59/30/61/823593061.db2.gz KQOFDRNYKAEIAL-GOSISDBHSA-N 1 0 377.488 4.218 20 30 GIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000190699980 823599674 /nfs/dbraw/zinc/59/96/74/823599674.db2.gz KOIYUXJBRGCJAB-UHFFFAOYSA-N 1 0 381.423 4.188 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000411769293 823603652 /nfs/dbraw/zinc/60/36/52/823603652.db2.gz JZJMMHQOLHTGQQ-UHFFFAOYSA-N 1 0 389.377 4.064 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000411985041 823618155 /nfs/dbraw/zinc/61/81/55/823618155.db2.gz NNHFYOXBFQSTDW-GOSISDBHSA-N 1 0 388.508 4.070 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000124769145 823624844 /nfs/dbraw/zinc/62/48/44/823624844.db2.gz FMOJLWPAFAQGNC-XOKHGSTOSA-N 1 0 385.405 4.172 20 30 GIEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000062476142 823637387 /nfs/dbraw/zinc/63/73/87/823637387.db2.gz GKTSBYWGIPUMTO-UHFFFAOYSA-N 1 0 377.532 4.223 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000124988258 823642935 /nfs/dbraw/zinc/64/29/35/823642935.db2.gz ANTJYZLCVKRNOX-HNNXBMFYSA-N 1 0 395.890 4.218 20 30 GIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21 ZINC000125380385 823671785 /nfs/dbraw/zinc/67/17/85/823671785.db2.gz GWWDKBYSMLSBQA-GCJKJVERSA-N 1 0 390.487 4.299 20 30 GIEDRO Cc1ccnc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 ZINC000125432848 823675791 /nfs/dbraw/zinc/67/57/91/823675791.db2.gz CYEUEGOHIFNOLY-KRWDZBQOSA-N 1 0 395.532 4.138 20 30 GIEDRO COc1ccc(CC[N@H+](Cc2ccsc2)Cc2cc(C#N)n(C)c2)cc1OC ZINC000191417215 823683023 /nfs/dbraw/zinc/68/30/23/823683023.db2.gz CJLHWYBTDKZIAC-UHFFFAOYSA-N 1 0 395.528 4.220 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191429223 823684247 /nfs/dbraw/zinc/68/42/47/823684247.db2.gz JORQSBAXTWSWGH-GOSISDBHSA-N 1 0 385.552 4.161 20 30 GIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000063730241 823692538 /nfs/dbraw/zinc/69/25/38/823692538.db2.gz GNJLVMXZKDVBQS-UHFFFAOYSA-N 1 0 376.456 4.074 20 30 GIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000063753407 823693449 /nfs/dbraw/zinc/69/34/49/823693449.db2.gz NEBRIUWSFKZASG-UHFFFAOYSA-N 1 0 387.483 4.181 20 30 GIEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191577095 823703070 /nfs/dbraw/zinc/70/30/70/823703070.db2.gz FUZPIKKIVUFFJC-QGZVFWFLSA-N 1 0 393.535 4.304 20 30 GIEDRO C[C@H]1C[C@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000574395847 823719171 /nfs/dbraw/zinc/71/91/71/823719171.db2.gz ONJCOGFHLRJEHK-UGKGYDQZSA-N 1 0 382.552 4.012 20 30 GIEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000574438475 823729470 /nfs/dbraw/zinc/72/94/70/823729470.db2.gz BKJAOSGAOFIRCJ-UHFFFAOYSA-N 1 0 393.560 4.213 20 30 GIEDRO C=C(C)C[N@@H+](CC)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000125931623 823747570 /nfs/dbraw/zinc/74/75/70/823747570.db2.gz CHCVWVSQKNALFW-IBGZPJMESA-N 1 0 393.531 4.356 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000461910133 823750431 /nfs/dbraw/zinc/75/04/31/823750431.db2.gz TVOPBQTVGXASRV-OALUTQOASA-N 1 0 375.516 4.210 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1OCCCC#N ZINC000574562706 823767588 /nfs/dbraw/zinc/76/75/88/823767588.db2.gz CNPSAAACARBCRA-XMMPIXPASA-N 1 0 392.499 4.347 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000413401362 823769299 /nfs/dbraw/zinc/76/92/99/823769299.db2.gz MTTVJLIHRYAAGG-CVDCTZTESA-N 1 0 392.547 4.094 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC000574782162 823825232 /nfs/dbraw/zinc/82/52/32/823825232.db2.gz VRJIXMNJNMUIFL-ABSDTBQOSA-N 1 0 394.906 4.069 20 30 GIEDRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000192131364 823871759 /nfs/dbraw/zinc/87/17/59/823871759.db2.gz HPYVTAKLZUDQEI-RBUKOAKNSA-N 1 0 381.344 4.455 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000575004259 823884429 /nfs/dbraw/zinc/88/44/29/823884429.db2.gz OWDGBHRRAMEKAD-HXUWFJFHSA-N 1 0 381.907 4.242 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)cc1 ZINC000167180501 823887960 /nfs/dbraw/zinc/88/79/60/823887960.db2.gz GPWNYYNFIMBTGW-WOJBJXKFSA-N 1 0 379.500 4.273 20 30 GIEDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167370145 823890962 /nfs/dbraw/zinc/89/09/62/823890962.db2.gz WOYXXBRCGKFKNS-DJJJIMSYSA-N 1 0 388.830 4.364 20 30 GIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21 ZINC000167843565 823896848 /nfs/dbraw/zinc/89/68/48/823896848.db2.gz ANOAURRKPIQHQJ-AVRDEDQJSA-N 1 0 390.487 4.299 20 30 GIEDRO CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462250033 823897631 /nfs/dbraw/zinc/89/76/31/823897631.db2.gz YHKHGLMECXHKIC-PWHSHALESA-N 1 0 375.516 4.346 20 30 GIEDRO CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462250035 823898118 /nfs/dbraw/zinc/89/81/18/823898118.db2.gz YHKHGLMECXHKIC-SELNLUPBSA-N 1 0 375.516 4.346 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000126656525 823920803 /nfs/dbraw/zinc/92/08/03/823920803.db2.gz QDBLXWISKLSTEO-GOSISDBHSA-N 1 0 395.890 4.314 20 30 GIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(C#N)cc1 ZINC000414212721 823930350 /nfs/dbraw/zinc/93/03/50/823930350.db2.gz RVECJIFPGGKCFE-LJQANCHMSA-N 1 0 376.909 4.246 20 30 GIEDRO N#CCCC[NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000575175848 823931686 /nfs/dbraw/zinc/93/16/86/823931686.db2.gz WKELLMQNMJVYME-IBGZPJMESA-N 1 0 393.314 4.354 20 30 GIEDRO COc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1OC(F)F ZINC000170670812 823932600 /nfs/dbraw/zinc/93/26/00/823932600.db2.gz OPTKFQNVOVLYFO-UHFFFAOYSA-N 1 0 378.444 4.191 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c2ccccc21 ZINC000575504831 823974412 /nfs/dbraw/zinc/97/44/12/823974412.db2.gz OBVREPUPAXAYPI-AEFFLSMTSA-N 1 0 378.447 4.135 20 30 GIEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000126974953 823992888 /nfs/dbraw/zinc/99/28/88/823992888.db2.gz LGSTUSWLZBGZAC-UZLBHIALSA-N 1 0 396.922 4.411 20 30 GIEDRO C=CCc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc(OC)c1O ZINC000575788802 823996592 /nfs/dbraw/zinc/99/65/92/823996592.db2.gz RNJSRFJTADYTHF-QFBILLFUSA-N 1 0 385.529 4.130 20 30 GIEDRO C=CCC[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000127024006 824002268 /nfs/dbraw/zinc/00/22/68/824002268.db2.gz SMSDEDLQAMLWMK-CQSZACIVSA-N 1 0 392.849 4.335 20 30 GIEDRO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000575907081 824025976 /nfs/dbraw/zinc/02/59/76/824025976.db2.gz XBVQEKWCYLNTPS-GOSISDBHSA-N 1 0 382.529 4.338 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000170983842 824027655 /nfs/dbraw/zinc/02/76/55/824027655.db2.gz ZFJIBEJIKAFZHJ-OXJNMPFZSA-N 1 0 379.529 4.496 20 30 GIEDRO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000575931871 824031642 /nfs/dbraw/zinc/03/16/42/824031642.db2.gz IMCBEKNOBLPFCQ-NRFANRHFSA-N 1 0 385.515 4.465 20 30 GIEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911814 824049028 /nfs/dbraw/zinc/04/90/28/824049028.db2.gz TWEIWAMEGHTHOI-NQIIRXRSSA-N 1 0 382.895 4.198 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1Cl ZINC000414915713 824049478 /nfs/dbraw/zinc/04/94/78/824049478.db2.gz ZNAXBLZTSRDSEA-LJQANCHMSA-N 1 0 382.895 4.198 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(C)c2)cn1 ZINC000171063858 824052882 /nfs/dbraw/zinc/05/28/82/824052882.db2.gz HUNQHYSVMBUHMW-UHFFFAOYSA-O 1 0 398.533 4.107 20 30 GIEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969243 824055552 /nfs/dbraw/zinc/05/55/52/824055552.db2.gz SQZSEJFUQIFJKU-UKRRQHHQSA-N 1 0 384.867 4.205 20 30 GIEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969244 824055606 /nfs/dbraw/zinc/05/56/06/824055606.db2.gz SQZSEJFUQIFJKU-ZFWWWQNUSA-N 1 0 384.867 4.205 20 30 GIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(C#N)c4F)CC3)CC2)cc1 ZINC001164759479 721043978 /nfs/dbraw/zinc/04/39/78/721043978.db2.gz MYCOPZARXGSYCR-UHFFFAOYSA-N 1 0 378.495 4.283 20 30 GIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164792113 721490002 /nfs/dbraw/zinc/49/00/02/721490002.db2.gz GTOMABPMJMLXTR-UHFFFAOYSA-N 1 0 399.901 4.022 20 30 GIEDRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025869 721801708 /nfs/dbraw/zinc/80/17/08/721801708.db2.gz PSTWJNJKZFEXMQ-PWIZWCRZSA-N 1 0 395.938 4.047 20 30 GIEDRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)o1 ZINC000187436889 823063526 /nfs/dbraw/zinc/06/35/26/823063526.db2.gz HPUDAOYFNZOGNP-INIZCTEOSA-N 1 0 377.282 4.041 20 30 GIEDRO N#CCCC[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000458603918 823062317 /nfs/dbraw/zinc/06/23/17/823062317.db2.gz GZRDZPLWUDDMBX-JOCHJYFZSA-N 1 0 391.519 4.032 20 30 GIEDRO C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630567 823066947 /nfs/dbraw/zinc/06/69/47/823066947.db2.gz KKKKOWDSGYCHFY-DWLFOUALSA-N 1 0 382.552 4.374 20 30 GIEDRO N#Cc1ccc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000120952149 823091885 /nfs/dbraw/zinc/09/18/85/823091885.db2.gz BBBVHLTYJPLMOB-UHFFFAOYSA-N 1 0 375.803 4.246 20 30 GIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056162001 823093270 /nfs/dbraw/zinc/09/32/70/823093270.db2.gz PKMCIJBVHWNTPK-HZPDHXFCSA-N 1 0 381.476 4.033 20 30 GIEDRO CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176058038 823108825 /nfs/dbraw/zinc/10/88/25/823108825.db2.gz QNNMVJVZVWUUAZ-HXUWFJFHSA-N 1 0 379.529 4.039 20 30 GIEDRO C=CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000187739210 823122960 /nfs/dbraw/zinc/12/29/60/823122960.db2.gz BAEUXSCCJUIZCV-DNQXCXABSA-N 1 0 392.543 4.010 20 30 GIEDRO C=C(CC)CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000459108147 823128664 /nfs/dbraw/zinc/12/86/64/823128664.db2.gz YEHOMPMJCQZUHK-UHFFFAOYSA-N 1 0 394.357 4.021 20 30 GIEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459109287 823129022 /nfs/dbraw/zinc/12/90/22/823129022.db2.gz DVNLMNPAALWIQF-UTKZUKDTSA-N 1 0 394.494 4.064 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000571309132 823163221 /nfs/dbraw/zinc/16/32/21/823163221.db2.gz BJJLIBHFICSFTB-KRWDZBQOSA-N 1 0 382.817 4.066 20 30 GIEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000571372272 823173686 /nfs/dbraw/zinc/17/36/86/823173686.db2.gz IIDCMTHKQUEISN-HSZRJFAPSA-N 1 0 387.483 4.040 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2OCC)CC1 ZINC000176321811 823181502 /nfs/dbraw/zinc/18/15/02/823181502.db2.gz UKHJPLAGIULYOL-UHFFFAOYSA-N 1 0 380.488 4.258 20 30 GIEDRO Cc1csc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C#N ZINC000571480021 823188950 /nfs/dbraw/zinc/18/89/50/823188950.db2.gz YGDQQEMVSDGBRU-UHFFFAOYSA-N 1 0 392.528 4.288 20 30 GIEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000188121521 823189726 /nfs/dbraw/zinc/18/97/26/823189726.db2.gz IVHFQPPOFJDPGZ-UHFFFAOYSA-N 1 0 391.515 4.085 20 30 GIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1Cl)C(C)C ZINC000056692602 823194478 /nfs/dbraw/zinc/19/44/78/823194478.db2.gz VYFKYZVXXYCCIW-IBGZPJMESA-N 1 0 392.931 4.119 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056745168 823205242 /nfs/dbraw/zinc/20/52/42/823205242.db2.gz VDKZIARKECLRGA-UHFFFAOYSA-N 1 0 390.487 4.443 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1OC ZINC000571665281 823216348 /nfs/dbraw/zinc/21/63/48/823216348.db2.gz YCULKHDICOHWPK-LJQANCHMSA-N 1 0 377.488 4.274 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)c1C#N ZINC000459622347 823231291 /nfs/dbraw/zinc/23/12/91/823231291.db2.gz XTYCCJSLTUNZKL-QRQCRPRQSA-N 1 0 382.508 4.115 20 30 GIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459640467 823235677 /nfs/dbraw/zinc/23/56/77/823235677.db2.gz LEMHHZNOFVVFMF-INIZCTEOSA-N 1 0 396.560 4.223 20 30 GIEDRO COc1c(Br)cc(Br)cc1C[NH2+]CC(C)(C)CC#N ZINC000459696358 823252469 /nfs/dbraw/zinc/25/24/69/823252469.db2.gz PDMKJPZGRSIXFE-UHFFFAOYSA-N 1 0 390.119 4.250 20 30 GIEDRO COc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCCC2)c1 ZINC000121785574 823250867 /nfs/dbraw/zinc/25/08/67/823250867.db2.gz YUDIDGPHXLIILZ-NMWDDECMSA-N 1 0 375.472 4.205 20 30 GIEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000409577583 823253267 /nfs/dbraw/zinc/25/32/67/823253267.db2.gz SOSQBRRCUQZCEQ-UHFFFAOYSA-N 1 0 399.498 4.372 20 30 GIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459753560 823260550 /nfs/dbraw/zinc/26/05/50/823260550.db2.gz CZFLHDINLQHZQC-MOPGFXCFSA-N 1 0 389.293 4.029 20 30 GIEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000571994904 823267169 /nfs/dbraw/zinc/26/71/69/823267169.db2.gz RANPANQAIJPGAZ-OXQOHEQNSA-N 1 0 392.528 4.267 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000176715700 823275657 /nfs/dbraw/zinc/27/56/57/823275657.db2.gz CGDCDJZXUSAFBA-XHDPSFHLSA-N 1 0 379.407 4.095 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)ccc1OC ZINC000176766411 823287541 /nfs/dbraw/zinc/28/75/41/823287541.db2.gz LHUSZWPNENFZQV-OAQYLSRUSA-N 1 0 390.487 4.160 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000007266814 817807091 /nfs/dbraw/zinc/80/70/91/817807091.db2.gz FBQJIQDLDDRXQX-HZPDHXFCSA-N 1 0 381.476 4.033 20 30 GIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000572215818 823302751 /nfs/dbraw/zinc/30/27/51/823302751.db2.gz AHFOWSISPFEFHQ-QGZVFWFLSA-N 1 0 378.354 4.200 20 30 GIEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000572197227 823298140 /nfs/dbraw/zinc/29/81/40/823298140.db2.gz XMIOJQHKWYIDAY-FQEVSTJZSA-N 1 0 385.895 4.032 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1cccc(C)c1 ZINC000015245040 818302409 /nfs/dbraw/zinc/30/24/09/818302409.db2.gz YQCBONIAVPDALY-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000572493340 823349364 /nfs/dbraw/zinc/34/93/64/823349364.db2.gz OGKOUISVRYSSOM-BEFAXECRSA-N 1 0 386.565 4.323 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)ccc1OC ZINC000057964233 823351031 /nfs/dbraw/zinc/35/10/31/823351031.db2.gz PQYWBRBYHGCMGG-OAQYLSRUSA-N 1 0 394.515 4.103 20 30 GIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000177045769 823358606 /nfs/dbraw/zinc/35/86/06/823358606.db2.gz HARLXTZMRAARFS-OAQYLSRUSA-N 1 0 387.487 4.094 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCc1ccccc1 ZINC000022730655 818851879 /nfs/dbraw/zinc/85/18/79/818851879.db2.gz FGJBAJBEOJQOPC-UHFFFAOYSA-O 1 0 375.517 4.265 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccc2)c1 ZINC000022735069 818853081 /nfs/dbraw/zinc/85/30/81/818853081.db2.gz WEGDJMMHXBHVPM-UHFFFAOYSA-O 1 0 375.517 4.054 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NCCOC)cc1 ZINC000022793257 818861447 /nfs/dbraw/zinc/86/14/47/818861447.db2.gz PWEQQLHMONWEHK-UHFFFAOYSA-O 1 0 399.580 4.027 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460384092 823371069 /nfs/dbraw/zinc/37/10/69/823371069.db2.gz XMGOEMMVOKKZSL-JOCHJYFZSA-N 1 0 393.579 4.208 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122694998 823396030 /nfs/dbraw/zinc/39/60/30/823396030.db2.gz WIVGBBIQJNUILN-GJZGRUSLSA-N 1 0 397.441 4.009 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000058535465 823405529 /nfs/dbraw/zinc/40/55/29/823405529.db2.gz LSBIVTGOXXIUQL-GOSISDBHSA-N 1 0 376.504 4.306 20 30 GIEDRO C[C@@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000122891828 823429736 /nfs/dbraw/zinc/42/97/36/823429736.db2.gz WRDYLPJZQOJQQO-AWEZNQCLSA-N 1 0 386.293 4.342 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460571464 823438761 /nfs/dbraw/zinc/43/87/61/823438761.db2.gz HUIMGMPAUWGBFT-PKOBYXMFSA-N 1 0 399.970 4.161 20 30 GIEDRO N#CCCn1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccccc2)n1 ZINC000573148998 823455991 /nfs/dbraw/zinc/45/59/91/823455991.db2.gz RIKWYAIJQUUZTN-UHFFFAOYSA-N 1 0 384.483 4.217 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(CC)cc1 ZINC000027059009 820187167 /nfs/dbraw/zinc/18/71/67/820187167.db2.gz BSFIFGOFNMXIJB-UHFFFAOYSA-O 1 0 379.549 4.130 20 30 GIEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000027096872 820193907 /nfs/dbraw/zinc/19/39/07/820193907.db2.gz YHNSVKDHVOAQJE-UHFFFAOYSA-O 1 0 393.463 4.099 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000027161676 820203355 /nfs/dbraw/zinc/20/33/55/820203355.db2.gz HJDPLPICMKKBKR-UHFFFAOYSA-O 1 0 381.452 4.173 20 30 GIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCCC1 ZINC000027285710 820220571 /nfs/dbraw/zinc/22/05/71/820220571.db2.gz VRWXEXFEJGZEQY-UHFFFAOYSA-N 1 0 382.508 4.211 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027326278 820224599 /nfs/dbraw/zinc/22/45/99/820224599.db2.gz FBXLGLXPXXLSCL-UHFFFAOYSA-O 1 0 381.565 4.490 20 30 GIEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1 ZINC000027483365 820250526 /nfs/dbraw/zinc/25/05/26/820250526.db2.gz WYHSJHVHEIUIOM-VQIMIIECSA-O 1 0 395.548 4.016 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)c1 ZINC000027485312 820250573 /nfs/dbraw/zinc/25/05/73/820250573.db2.gz MCSKCECFNXENQN-XLIONFOSSA-O 1 0 397.564 4.398 20 30 GIEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1 ZINC000027483361 820250598 /nfs/dbraw/zinc/25/05/98/820250598.db2.gz WYHSJHVHEIUIOM-APWZRJJASA-O 1 0 395.548 4.016 20 30 GIEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000027486570 820251693 /nfs/dbraw/zinc/25/16/93/820251693.db2.gz GMTKAZIDNDSLER-KDOFPFPSSA-O 1 0 389.491 4.359 20 30 GIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21 ZINC000123166157 823472935 /nfs/dbraw/zinc/47/29/35/823472935.db2.gz ULYQXGWLSNNQBH-GCJKJVERSA-N 1 0 390.487 4.299 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573296004 823477321 /nfs/dbraw/zinc/47/73/21/823477321.db2.gz BPHNARNHSYGNSG-GBSAAQIZSA-N 1 0 381.545 4.021 20 30 GIEDRO C[N@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028901760 820370454 /nfs/dbraw/zinc/37/04/54/820370454.db2.gz HCVRQIIQMHVEPL-UHFFFAOYSA-N 1 0 392.286 4.204 20 30 GIEDRO O=C(C[n+]1ccc2ccccc2c1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000029316619 820435760 /nfs/dbraw/zinc/43/57/60/820435760.db2.gz QWZALRJZOSLONB-HSZRJFAPSA-N 1 0 381.455 4.294 20 30 GIEDRO O=C(C[n+]1ccc2ccccc2c1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000029316624 820435773 /nfs/dbraw/zinc/43/57/73/820435773.db2.gz QWZALRJZOSLONB-QHCPKHFHSA-N 1 0 381.455 4.294 20 30 GIEDRO CC(=O)c1cc[n+](CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 ZINC000029342252 820440176 /nfs/dbraw/zinc/44/01/76/820440176.db2.gz VDPGAISXKCKHMU-OAQYLSRUSA-N 1 0 389.500 4.057 20 30 GIEDRO COc1ccc2c(ccc[n+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000029579008 820479106 /nfs/dbraw/zinc/47/91/06/820479106.db2.gz AQKDMSHBRDQYKM-INIZCTEOSA-N 1 0 379.505 4.053 20 30 GIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177584498 823496329 /nfs/dbraw/zinc/49/63/29/823496329.db2.gz DGTSPSPSIFFOLH-FQEVSTJZSA-N 1 0 381.438 4.107 20 30 GIEDRO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000410554211 823503856 /nfs/dbraw/zinc/50/38/56/823503856.db2.gz DELVETYHCDJVQR-ZIAGYGMSSA-N 1 0 387.833 4.083 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(NC(=O)C4CCCCC4)c3)n2c1 ZINC000123470488 823512436 /nfs/dbraw/zinc/51/24/36/823512436.db2.gz WKZYBBSVCVGFQU-UHFFFAOYSA-N 1 0 387.487 4.015 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000177796674 823527319 /nfs/dbraw/zinc/52/73/19/823527319.db2.gz JGXBPIDWHGNEDJ-UXHICEINSA-N 1 0 390.487 4.441 20 30 GIEDRO CNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000123680085 823531312 /nfs/dbraw/zinc/53/13/12/823531312.db2.gz HKJPOWZOWNGNIW-UHFFFAOYSA-O 1 0 395.935 4.377 20 30 GIEDRO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477287 823532569 /nfs/dbraw/zinc/53/25/69/823532569.db2.gz OFFVEKUTGCNLGH-MZNJEOGPSA-N 1 0 391.515 4.217 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000177838888 823534376 /nfs/dbraw/zinc/53/43/76/823534376.db2.gz UJHKLDXCZTZXSV-UXHICEINSA-N 1 0 390.487 4.441 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322485 821300033 /nfs/dbraw/zinc/30/00/33/821300033.db2.gz SUDUAMJAHQJZAD-JTSKRJEESA-N 1 0 394.519 4.010 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322491 821300048 /nfs/dbraw/zinc/30/00/48/821300048.db2.gz SUDUAMJAHQJZAD-VGSWGCGISA-N 1 0 394.519 4.010 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)ccc1OC ZINC000180813215 821474336 /nfs/dbraw/zinc/47/43/36/821474336.db2.gz PTLZRCNNMFQVJQ-FGZHOGPDSA-N 1 0 393.531 4.130 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180894204 821520597 /nfs/dbraw/zinc/52/05/97/821520597.db2.gz QCGFRTDOWVKDBU-OAHLLOKOSA-N 1 0 376.485 4.361 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000180972270 821565550 /nfs/dbraw/zinc/56/55/50/821565550.db2.gz RWXXIBVFBPLWIM-AWEZNQCLSA-N 1 0 391.393 4.179 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180975561 821567917 /nfs/dbraw/zinc/56/79/17/821567917.db2.gz GERPIGRLXRCMSQ-AWEZNQCLSA-N 1 0 394.393 4.238 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000044596002 821617741 /nfs/dbraw/zinc/61/77/41/821617741.db2.gz MMJOUNODERBYME-UHFFFAOYSA-N 1 0 381.479 4.489 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181286755 821735565 /nfs/dbraw/zinc/73/55/65/821735565.db2.gz RMOGNBBEEVGROT-MSOLQXFVSA-N 1 0 376.504 4.130 20 30 GIEDRO COCCc1nc(C)c([C@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000181395084 821805102 /nfs/dbraw/zinc/80/51/02/821805102.db2.gz UCXPYCLEPNIUAN-AWEZNQCLSA-N 1 0 375.563 4.096 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(OCc3ccccc3OC)CC2)cc(OC)c1O ZINC000181550056 821877289 /nfs/dbraw/zinc/87/72/89/821877289.db2.gz JHZTXZCDBNAOIQ-UHFFFAOYSA-N 1 0 397.515 4.319 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000181610215 821902378 /nfs/dbraw/zinc/90/23/78/821902378.db2.gz HJKIUROBAFFVIE-NWDGAFQWSA-N 1 0 379.382 4.465 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1 ZINC000181622766 821908228 /nfs/dbraw/zinc/90/82/28/821908228.db2.gz CMJKIEIVMZPCDX-BJKOFHAPSA-N 1 0 375.516 4.033 20 30 GIEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181637958 821916344 /nfs/dbraw/zinc/91/63/44/821916344.db2.gz FGQCIPIXXWMVNA-FDDCHVKYSA-N 1 0 375.516 4.394 20 30 GIEDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1OC(F)F ZINC000181647761 821921670 /nfs/dbraw/zinc/92/16/70/821921670.db2.gz MKXPINHMODJCCG-AWEZNQCLSA-N 1 0 376.403 4.092 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)c3cccnc3)CC2)cc1 ZINC000181680645 821940379 /nfs/dbraw/zinc/94/03/79/821940379.db2.gz PETZBVRXZXFZFT-VWLOTQADSA-N 1 0 382.511 4.297 20 30 GIEDRO COc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000181898885 822030673 /nfs/dbraw/zinc/03/06/73/822030673.db2.gz QZSQYMTVAODLFW-UHFFFAOYSA-N 1 0 383.923 4.017 20 30 GIEDRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCC#N)cc1 ZINC000181943386 822041963 /nfs/dbraw/zinc/04/19/63/822041963.db2.gz BLRUNZDTXXOJRH-AWEZNQCLSA-N 1 0 382.851 4.186 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cc1Br ZINC000182083913 822086673 /nfs/dbraw/zinc/08/66/73/822086673.db2.gz ZWKCZPKTRDLXFK-LBPRGKRZSA-N 1 0 375.266 4.189 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000178022223 822286971 /nfs/dbraw/zinc/28/69/71/822286971.db2.gz KOEOKUYJRCFXHI-IBGZPJMESA-N 1 0 392.503 4.465 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178242127 822357797 /nfs/dbraw/zinc/35/77/97/822357797.db2.gz ICPWNHYJNXXUIJ-JTHBVZDNSA-N 1 0 388.515 4.385 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000182764971 822364122 /nfs/dbraw/zinc/36/41/22/822364122.db2.gz FBMYNCNSGQPIGF-UHFFFAOYSA-N 1 0 390.597 4.009 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182871277 822383372 /nfs/dbraw/zinc/38/33/72/822383372.db2.gz YBGVWGZBFCHORQ-WIYYLYMNSA-N 1 0 382.552 4.131 20 30 GIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000178510988 822386545 /nfs/dbraw/zinc/38/65/45/822386545.db2.gz DFWFIAAQTGOIQD-UHFFFAOYSA-N 1 0 377.488 4.044 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178680081 822402270 /nfs/dbraw/zinc/40/22/70/822402270.db2.gz CZVFFSLYNKYCCA-MSOLQXFVSA-N 1 0 394.475 4.198 20 30 GIEDRO N#CCC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178768358 822408296 /nfs/dbraw/zinc/40/82/96/822408296.db2.gz KVZVXTGZWQPFDI-QHCPKHFHSA-N 1 0 390.531 4.038 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000045788007 822413758 /nfs/dbraw/zinc/41/37/58/822413758.db2.gz FOTWWTZLVYKRCQ-LJQANCHMSA-N 1 0 390.531 4.132 20 30 GIEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cccc1-c1ccccn1 ZINC000178821251 822413849 /nfs/dbraw/zinc/41/38/49/822413849.db2.gz FARSPQFPGODACY-UHFFFAOYSA-N 1 0 398.510 4.133 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183131795 822428450 /nfs/dbraw/zinc/42/84/50/822428450.db2.gz WRGXOKXPJZZPCG-KRWDZBQOSA-N 1 0 392.528 4.440 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000179041254 822432713 /nfs/dbraw/zinc/43/27/13/822432713.db2.gz XPRUJLKVWXQUBL-UHFFFAOYSA-N 1 0 378.472 4.062 20 30 GIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000179059290 822434250 /nfs/dbraw/zinc/43/42/50/822434250.db2.gz DGRADRWCNBPZEG-IBGZPJMESA-N 1 0 384.907 4.043 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000046347241 822464568 /nfs/dbraw/zinc/46/45/68/822464568.db2.gz RNTQCYNCVHWJCV-HNNXBMFYSA-N 1 0 383.970 4.464 20 30 GIEDRO C[NH+](C)CC1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000183475042 822481230 /nfs/dbraw/zinc/48/12/30/822481230.db2.gz LTGDLMJYFZWRIU-UHFFFAOYSA-N 1 0 377.488 4.201 20 30 GIEDRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529215 822481874 /nfs/dbraw/zinc/48/18/74/822481874.db2.gz MDFCMIDQUHVBQO-QHCPKHFHSA-N 1 0 389.524 4.347 20 30 GIEDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000454481116 822482200 /nfs/dbraw/zinc/48/22/00/822482200.db2.gz IAYSKQGRFPKSMT-GOSISDBHSA-N 1 0 384.911 4.457 20 30 GIEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000046862281 822525209 /nfs/dbraw/zinc/52/52/09/822525209.db2.gz PNAGDSMDUDWPGP-KRWDZBQOSA-N 1 0 379.529 4.171 20 30 GIEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686512 822527185 /nfs/dbraw/zinc/52/71/85/822527185.db2.gz UWSBWNGJVSJUBA-OPAMFIHVSA-N 1 0 395.478 4.210 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000047010986 822537513 /nfs/dbraw/zinc/53/75/13/822537513.db2.gz MYNFMUCIQBRMAM-UHFFFAOYSA-N 1 0 391.446 4.161 20 30 GIEDRO CCc1noc(C2CCC([NH2+]Cc3ccc(OC)c(O[C@H](C#N)CC)c3)CC2)n1 ZINC000183901129 822542847 /nfs/dbraw/zinc/54/28/47/822542847.db2.gz ITWOPFZPBSULFA-ABHNRTSZSA-N 1 0 398.507 4.138 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000047258148 822559304 /nfs/dbraw/zinc/55/93/04/822559304.db2.gz ALQHBHWBXSNJQQ-UHFFFAOYSA-N 1 0 392.322 4.236 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609254 822596498 /nfs/dbraw/zinc/59/64/98/822596498.db2.gz REKCKXDCCBGXII-IAGOWNOFSA-N 1 0 395.503 4.279 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000180014791 822596825 /nfs/dbraw/zinc/59/68/25/822596825.db2.gz IIUBWDRFBMOSEX-GOSISDBHSA-N 1 0 392.503 4.106 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000180018871 822597664 /nfs/dbraw/zinc/59/76/64/822597664.db2.gz UZNVIKOQGDTATF-QYZOEREBSA-N 1 0 384.524 4.096 20 30 GIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180022705 822598554 /nfs/dbraw/zinc/59/85/54/822598554.db2.gz WBQQDNSYPAWBAZ-SFHVURJKSA-N 1 0 392.503 4.072 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 ZINC000180043416 822603260 /nfs/dbraw/zinc/60/32/60/822603260.db2.gz FUMXXRVGPMLUIW-UHFFFAOYSA-N 1 0 387.306 4.073 20 30 GIEDRO Cn1c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2nc1C1CC1 ZINC000180062144 822606879 /nfs/dbraw/zinc/60/68/79/822606879.db2.gz CMNLVERFQYZOAU-UHFFFAOYSA-N 1 0 385.515 4.399 20 30 GIEDRO Cn1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180079061 822610967 /nfs/dbraw/zinc/61/09/67/822610967.db2.gz YNPFWYTYTVZODQ-UHFFFAOYSA-N 1 0 399.542 4.055 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000184301715 822611015 /nfs/dbraw/zinc/61/10/15/822611015.db2.gz IOJFZMTZGYJECW-CMKODMSKSA-N 1 0 392.503 4.152 20 30 GIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 ZINC000180081411 822611457 /nfs/dbraw/zinc/61/14/57/822611457.db2.gz OORJOVAJXFZHEC-QGZVFWFLSA-N 1 0 380.492 4.141 20 30 GIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000180081395 822611551 /nfs/dbraw/zinc/61/15/51/822611551.db2.gz OORJOVAJXFZHEC-KRWDZBQOSA-N 1 0 380.492 4.141 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000184310795 822612400 /nfs/dbraw/zinc/61/24/00/822612400.db2.gz JKJBVMZECAAWCX-IBGZPJMESA-N 1 0 394.519 4.006 20 30 GIEDRO C[NH+]1CCN(c2cccc(Cl)c2CNc2cccc(OCCCC#N)c2)CC1 ZINC000180091024 822613423 /nfs/dbraw/zinc/61/34/23/822613423.db2.gz NMZXNXUGCJQAAG-UHFFFAOYSA-N 1 0 398.938 4.386 20 30 GIEDRO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000180148887 822626920 /nfs/dbraw/zinc/62/69/20/822626920.db2.gz NMLCHGSZNOIBIM-IBGZPJMESA-N 1 0 377.517 4.233 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000180220611 822641879 /nfs/dbraw/zinc/64/18/79/822641879.db2.gz FWABERAYKYKIFA-UHFFFAOYSA-N 1 0 382.511 4.374 20 30 GIEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000184503186 822646726 /nfs/dbraw/zinc/64/67/26/822646726.db2.gz NBJQEPJYMKYSRD-FQEVSTJZSA-N 1 0 377.479 4.288 20 30 GIEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000184503202 822646784 /nfs/dbraw/zinc/64/67/84/822646784.db2.gz NBJQEPJYMKYSRD-HXUWFJFHSA-N 1 0 377.479 4.288 20 30 GIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000180282178 822654513 /nfs/dbraw/zinc/65/45/13/822654513.db2.gz JCOWUPYXUZPEIU-NTKDMRAZSA-N 1 0 399.542 4.101 20 30 GIEDRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180350527 822668158 /nfs/dbraw/zinc/66/81/58/822668158.db2.gz BESRNSIRPGOGSR-UHFFFAOYSA-N 1 0 378.426 4.058 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000184756408 822686696 /nfs/dbraw/zinc/68/66/96/822686696.db2.gz XRBPGRPSDHDQFN-GXTWGEPZSA-N 1 0 399.564 4.046 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455673964 822697276 /nfs/dbraw/zinc/69/72/76/822697276.db2.gz YQLVQDXCNCAFBM-SIKLNZKXSA-N 1 0 381.564 4.240 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000180550713 822700636 /nfs/dbraw/zinc/70/06/36/822700636.db2.gz UKXRQXIONVBBJF-SFHVURJKSA-N 1 0 387.277 4.355 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180554705 822701438 /nfs/dbraw/zinc/70/14/38/822701438.db2.gz YIPKDKHBZZMJKN-CQSZACIVSA-N 1 0 385.386 4.371 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180562036 822702911 /nfs/dbraw/zinc/70/29/11/822702911.db2.gz CEJUIUABOLWMMW-QGZVFWFLSA-N 1 0 379.357 4.309 20 30 GIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+]2CCCC2)o1 ZINC000455694549 822704232 /nfs/dbraw/zinc/70/42/32/822704232.db2.gz ACAVGADXAKOMHA-GOSISDBHSA-N 1 0 386.883 4.266 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184884579 822707049 /nfs/dbraw/zinc/70/70/49/822707049.db2.gz IUFNHKAITCGKPI-UHFFFAOYSA-N 1 0 396.510 4.188 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455709850 822709486 /nfs/dbraw/zinc/70/94/86/822709486.db2.gz VRNTVYFQSRHGNC-HOTGVXAUSA-N 1 0 376.932 4.286 20 30 GIEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000455742192 822717970 /nfs/dbraw/zinc/71/79/70/822717970.db2.gz BOKGEXYZRJUJTD-UHFFFAOYSA-N 1 0 396.922 4.235 20 30 GIEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000455761926 822721839 /nfs/dbraw/zinc/72/18/39/822721839.db2.gz AILCCEZEWALCHT-UHFFFAOYSA-N 1 0 386.540 4.321 20 30 GIEDRO C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455808312 822730185 /nfs/dbraw/zinc/73/01/85/822730185.db2.gz AGZQARKOLIDGDO-HXUWFJFHSA-N 1 0 389.543 4.250 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)Nc3cccc(F)c3)c2)c1 ZINC000051188729 822749936 /nfs/dbraw/zinc/74/99/36/822749936.db2.gz IIYJBZGBLQULLV-UHFFFAOYSA-N 1 0 389.430 4.005 20 30 GIEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000455944083 822755098 /nfs/dbraw/zinc/75/50/98/822755098.db2.gz MHWMWESPJSXBHY-MRXNPFEDSA-N 1 0 380.517 4.125 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(OCc4ccccc4F)cc3)n2c1 ZINC000185427152 822782448 /nfs/dbraw/zinc/78/24/48/822782448.db2.gz SROUSNYQJWRQJL-UHFFFAOYSA-N 1 0 386.430 4.214 20 30 GIEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000185477548 822788639 /nfs/dbraw/zinc/78/86/39/822788639.db2.gz UNKIIWYIMBKRQL-GHTZIAJQSA-N 1 0 394.519 4.256 20 30 GIEDRO CCc1ccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)cc1 ZINC000185575291 822798299 /nfs/dbraw/zinc/79/82/99/822798299.db2.gz KIFLEIKZTONISK-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000174538979 822802737 /nfs/dbraw/zinc/80/27/37/822802737.db2.gz FVZGWIZDYFITNC-KRWDZBQOSA-N 1 0 379.529 4.123 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000052710612 822808082 /nfs/dbraw/zinc/80/80/82/822808082.db2.gz RVBQEZMYQDWCBY-VXGBXAGGSA-N 1 0 375.831 4.037 20 30 GIEDRO CCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000052825687 822812341 /nfs/dbraw/zinc/81/23/41/822812341.db2.gz WZBZVPSGHMJHSX-UHFFFAOYSA-N 1 0 376.504 4.009 20 30 GIEDRO C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754687 822818074 /nfs/dbraw/zinc/81/80/74/822818074.db2.gz KXHKVGUNKJXMMA-FUHWJXTLSA-N 1 0 380.454 4.179 20 30 GIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000185788562 822821321 /nfs/dbraw/zinc/82/13/21/822821321.db2.gz FEMZTULZXFRGKJ-QAPCUYQASA-N 1 0 377.326 4.169 20 30 GIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000185788510 822821376 /nfs/dbraw/zinc/82/13/76/822821376.db2.gz FEMZTULZXFRGKJ-MAUKXSAKSA-N 1 0 377.326 4.169 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000185842307 822826545 /nfs/dbraw/zinc/82/65/45/822826545.db2.gz DJQOXJPHXNFHBP-FQEVSTJZSA-N 1 0 379.495 4.345 20 30 GIEDRO C=C(C)C[C@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119163 822855091 /nfs/dbraw/zinc/85/50/91/822855091.db2.gz QXAHOZJZNYTQBZ-SFHVURJKSA-N 1 0 389.971 4.055 20 30 GIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457433713 822874905 /nfs/dbraw/zinc/87/49/05/822874905.db2.gz DKWRMWPFWKZHSK-UHFFFAOYSA-N 1 0 390.487 4.257 20 30 GIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000186329594 822876938 /nfs/dbraw/zinc/87/69/38/822876938.db2.gz YAMYYJYLXNGSQU-LNLFQRSKSA-N 1 0 389.565 4.203 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569144043 822883757 /nfs/dbraw/zinc/88/37/57/822883757.db2.gz OBDCRZNFMFGYHA-HNNXBMFYSA-N 1 0 386.480 4.448 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc2ccccc2o1 ZINC000175191365 822901004 /nfs/dbraw/zinc/90/10/04/822901004.db2.gz MGEXWLFPUFTTSG-UHFFFAOYSA-N 1 0 379.485 4.315 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC(C)C)cc1 ZINC000055009788 822930546 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GIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)Nc1ccccc1F ZINC000186953806 822986193 /nfs/dbraw/zinc/98/61/93/822986193.db2.gz YGZHTQNVTFOMJB-UHFFFAOYSA-O 1 0 398.483 4.331 20 30 GIEDRO CCCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(CC)CC)cc1 ZINC000186960591 822987503 /nfs/dbraw/zinc/98/75/03/822987503.db2.gz XVGSXFOTRJSBPJ-UHFFFAOYSA-O 1 0 388.557 4.421 20 30 GIEDRO CCC1(CNC(=O)N2CCC(CCC#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000569964256 822990703 /nfs/dbraw/zinc/99/07/03/822990703.db2.gz LRBVBTVLPLTULU-UHFFFAOYSA-N 1 0 396.579 4.404 20 30 GIEDRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000570112611 823006598 /nfs/dbraw/zinc/00/65/98/823006598.db2.gz UCAWFHVWFOKQJQ-ZDUSSCGKSA-N 1 0 388.298 4.321 20 30 GIEDRO C[N@H+]([C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570123983 823007824 /nfs/dbraw/zinc/00/78/24/823007824.db2.gz PRTRHPWHIKZBAN-JZXOWHBKSA-N 1 0 379.426 4.107 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175640979 823011301 /nfs/dbraw/zinc/01/13/01/823011301.db2.gz LHWMLSHIJMMSJT-UYAOXDASSA-N 1 0 383.561 4.499 20 30 GIEDRO C=CCC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113113 823012453 /nfs/dbraw/zinc/01/24/53/823012453.db2.gz XTSNARLVILDONJ-XXBNENTESA-N 1 0 377.532 4.473 20 30 GIEDRO N#CCSc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000175703395 823023745 /nfs/dbraw/zinc/02/37/45/823023745.db2.gz DXEPKDBUUCGDKO-UHFFFAOYSA-N 1 0 383.542 4.103 20 30 GIEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc2cccc(F)c12 ZINC000060575990 823543938 /nfs/dbraw/zinc/54/39/38/823543938.db2.gz HIOCXVWKMZGJJV-UHFFFAOYSA-N 1 0 395.503 4.425 20 30 GIEDRO N#CC1(CC[NH+]2CCN(CCOc3ccccc3Cl)CC2)CCCCC1 ZINC000411134525 823550836 /nfs/dbraw/zinc/55/08/36/823550836.db2.gz OJPUMOJHMXREKG-UHFFFAOYSA-N 1 0 375.944 4.201 20 30 GIEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCC3(C#N)CCCCC3)CC2)cs1 ZINC000411331179 823564860 /nfs/dbraw/zinc/56/48/60/823564860.db2.gz LKVCQBFTVBLLKM-GOSISDBHSA-N 1 0 390.597 4.222 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000411396674 823570046 /nfs/dbraw/zinc/57/00/46/823570046.db2.gz KCBMMPWQRRIKMV-URXFXBBRSA-N 1 0 385.511 4.201 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)cc1Cl ZINC000190423421 823571819 /nfs/dbraw/zinc/57/18/19/823571819.db2.gz RNLUHSRIZDVVOF-HKUYNNGSSA-N 1 0 375.900 4.131 20 30 GIEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000411445066 823574749 /nfs/dbraw/zinc/57/47/49/823574749.db2.gz GBYZLZDGAXSWTM-KRWDZBQOSA-N 1 0 395.503 4.281 20 30 GIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC000461110278 823579338 /nfs/dbraw/zinc/57/93/38/823579338.db2.gz PCTGURAVBOWDDD-ASGNMKHESA-N 1 0 384.520 4.206 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1c[nH]c2ccccc12 ZINC000190477084 823579416 /nfs/dbraw/zinc/57/94/16/823579416.db2.gz VREIHGJOUYOCDN-UHFFFAOYSA-N 1 0 392.528 4.440 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411547512 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IHNAACNWVRRQQH-DNVCBOLYSA-N 1 0 375.497 4.225 20 30 GIEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411651676 823594412 /nfs/dbraw/zinc/59/44/12/823594412.db2.gz XXBNJYOSILKDIQ-SFHVURJKSA-N 1 0 375.394 4.479 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000124650419 823614267 /nfs/dbraw/zinc/61/42/67/823614267.db2.gz RINDTWBTFIAJBS-MRXNPFEDSA-N 1 0 378.586 4.318 20 30 GIEDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000411957622 823616657 /nfs/dbraw/zinc/61/66/57/823616657.db2.gz WKVXSPQIHCZMFZ-SPLOXXLWSA-N 1 0 389.565 4.010 20 30 GIEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2cc(C#N)n(C)c2)cc1OC ZINC000190902854 823622147 /nfs/dbraw/zinc/62/21/47/823622147.db2.gz MOYAHEHVHXQWPH-QFIPXVFZSA-N 1 0 389.499 4.296 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)C[C@H]2C)c1C#N ZINC000412026941 823623499 /nfs/dbraw/zinc/62/34/99/823623499.db2.gz UDACSAZFNKKXIL-OAHLLOKOSA-N 1 0 382.508 4.067 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412155266 823631129 /nfs/dbraw/zinc/63/11/29/823631129.db2.gz JLSSTMGKRDISRD-YFNKSVMNSA-N 1 0 387.527 4.032 20 30 GIEDRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1)CC1CC1 ZINC000412231900 823638085 /nfs/dbraw/zinc/63/80/85/823638085.db2.gz QTKUKTXTNPKUFQ-XZOQPEGZSA-N 1 0 379.548 4.022 20 30 GIEDRO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000125312160 823667089 /nfs/dbraw/zinc/66/70/89/823667089.db2.gz GKFNXSUDCLEQGN-UHFFFAOYSA-N 1 0 384.483 4.256 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063403310 823668498 /nfs/dbraw/zinc/66/84/98/823668498.db2.gz XPUDUVMKVWIWNA-CVDCTZTESA-N 1 0 388.515 4.091 20 30 GIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)cc1 ZINC000125366964 823671032 /nfs/dbraw/zinc/67/10/32/823671032.db2.gz NXGZWJYNMMEDTA-HXOBKFHXSA-N 1 0 380.488 4.244 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 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CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064613922 823853160 /nfs/dbraw/zinc/85/31/60/823853160.db2.gz KKJTVDMUOCMESK-UHFFFAOYSA-N 1 0 398.503 4.465 20 30 GIEDRO N#CCCn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000574897747 823855776 /nfs/dbraw/zinc/85/57/76/823855776.db2.gz AKXRPWGHSGVZGU-YADHBBJMSA-N 1 0 390.531 4.245 20 30 GIEDRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000192131361 823870910 /nfs/dbraw/zinc/87/09/10/823870910.db2.gz HPYVTAKLZUDQEI-RTBURBONSA-N 1 0 381.344 4.455 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192142178 823877408 /nfs/dbraw/zinc/87/74/08/823877408.db2.gz PWMKJKPBILAGHK-QZTJIDSGSA-N 1 0 393.231 4.219 20 30 GIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000167300188 823890144 /nfs/dbraw/zinc/89/01/44/823890144.db2.gz BBRIUQIVSUZMRN-FQEVSTJZSA-N 1 0 386.499 4.177 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000575081074 823906837 /nfs/dbraw/zinc/90/68/37/823906837.db2.gz JFZMCEOKWXNDPA-NRFANRHFSA-N 1 0 391.506 4.298 20 30 GIEDRO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)o2)cc1 ZINC000192242992 823914288 /nfs/dbraw/zinc/91/42/88/823914288.db2.gz WXGQXPLNWMDOPP-QFIPXVFZSA-N 1 0 385.467 4.017 20 30 GIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000126815850 823958076 /nfs/dbraw/zinc/95/80/76/823958076.db2.gz NXMSETSBJNBOIH-QGZVFWFLSA-N 1 0 393.462 4.048 20 30 GIEDRO N#Cc1cccc(CC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1 ZINC000575753567 823986500 /nfs/dbraw/zinc/98/65/00/823986500.db2.gz YSJRXFQPASTKNT-UHFFFAOYSA-N 1 0 379.529 4.317 20 30 GIEDRO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000575907082 824025849 /nfs/dbraw/zinc/02/58/49/824025849.db2.gz XBVQEKWCYLNTPS-SFHVURJKSA-N 1 0 382.529 4.338 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000170983839 824027778 /nfs/dbraw/zinc/02/77/78/824027778.db2.gz ZFJIBEJIKAFZHJ-OXQOHEQNSA-N 1 0 379.529 4.496 20 30 GIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000575955991 824036724 /nfs/dbraw/zinc/03/67/24/824036724.db2.gz FQEOVNXKGXRYTC-UHFFFAOYSA-N 1 0 380.879 4.250 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414967565 824055132 /nfs/dbraw/zinc/05/51/32/824055132.db2.gz QBWWRDBYHNFYTR-XJKSGUPXSA-N 1 0 384.867 4.266 20 30 GIEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414969774 824055540 /nfs/dbraw/zinc/05/55/40/824055540.db2.gz UATGFAMQBOPVDH-ZFWWWQNUSA-N 1 0 384.867 4.205 20 30 GIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629949 719095619 /nfs/dbraw/zinc/09/56/19/719095619.db2.gz UMYGLFDUNJQARK-ISKFKSNPSA-N 1 0 395.510 4.116 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695271 719887520 /nfs/dbraw/zinc/88/75/20/719887520.db2.gz KSUWVDYVMQMMDQ-UHFFFAOYSA-N 1 0 396.560 4.010 20 30 GIEDRO N#Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726927 720472831 /nfs/dbraw/zinc/47/28/31/720472831.db2.gz MZSHKVDKWJONAI-NHCUHLMSSA-N 1 0 389.890 4.008 20 30 GIEDRO CC[NH+](CC)C1CCN(c2nc(-c3ccccc3)nc(SC)c2C#N)CC1 ZINC001165053749 722003970 /nfs/dbraw/zinc/00/39/70/722003970.db2.gz UTDXFMPYEWEKQG-UHFFFAOYSA-N 1 0 381.549 4.048 20 30 GIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccc(Cl)cc2)c1 ZINC000570563909 823055556 /nfs/dbraw/zinc/05/55/56/823055556.db2.gz GTCQHUPNQFSPTH-LXGCGDOSSA-N 1 0 388.920 4.115 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175965336 823083422 /nfs/dbraw/zinc/08/34/22/823083422.db2.gz OMFUOSUJGZPDLF-UHFFFAOYSA-N 1 0 392.503 4.085 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175992499 823090571 /nfs/dbraw/zinc/09/05/71/823090571.db2.gz DPCOIMFYOZNZPJ-NQIIRXRSSA-N 1 0 393.556 4.427 20 30 GIEDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000120950238 823091662 /nfs/dbraw/zinc/09/16/62/823091662.db2.gz ZCMSLDDPQKRPOZ-KDOFPFPSSA-N 1 0 382.533 4.126 20 30 GIEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056161974 823093324 /nfs/dbraw/zinc/09/33/24/823093324.db2.gz UIWIBWCJRLWXLT-HOTGVXAUSA-N 1 0 381.476 4.033 20 30 GIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000458873019 823099971 /nfs/dbraw/zinc/09/99/71/823099971.db2.gz IQMIFTCNKBHTHM-SFHVURJKSA-N 1 0 390.531 4.270 20 30 GIEDRO N#CCSc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000176034436 823101658 /nfs/dbraw/zinc/10/16/58/823101658.db2.gz VKFDWNLHWILHQW-MRXNPFEDSA-N 1 0 385.558 4.006 20 30 GIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(SCC#N)c3)c2)CC1 ZINC000176039799 823103587 /nfs/dbraw/zinc/10/35/87/823103587.db2.gz WCOMCVWBGFRAKM-UHFFFAOYSA-N 1 0 393.556 4.464 20 30 GIEDRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056216199 823105599 /nfs/dbraw/zinc/10/55/99/823105599.db2.gz FZIVSQULZBNAGO-GOSISDBHSA-N 1 0 376.504 4.026 20 30 GIEDRO C=CCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000121079274 823114632 /nfs/dbraw/zinc/11/46/32/823114632.db2.gz OAEAJEASYVBVLA-IBGZPJMESA-N 1 0 393.531 4.356 20 30 GIEDRO Cc1coc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000187915360 823157572 /nfs/dbraw/zinc/15/75/72/823157572.db2.gz MRLUUOSNIIMXMW-UHFFFAOYSA-N 1 0 388.471 4.353 20 30 GIEDRO N#CCCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000571320795 823164908 /nfs/dbraw/zinc/16/49/08/823164908.db2.gz PKAPFCBNEPIJBG-UHFFFAOYSA-N 1 0 382.552 4.288 20 30 GIEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000056555184 823168631 /nfs/dbraw/zinc/16/86/31/823168631.db2.gz BDFRNOHGOFVEOS-UHFFFAOYSA-N 1 0 378.476 4.265 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188000538 823169783 /nfs/dbraw/zinc/16/97/83/823169783.db2.gz JROYGUDLCUTSCO-OAHLLOKOSA-N 1 0 383.458 4.149 20 30 GIEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459456298 823195852 /nfs/dbraw/zinc/19/58/52/823195852.db2.gz FOTVKRDBTXODHX-HOCLYGCPSA-N 1 0 378.314 4.067 20 30 GIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000571601745 823206105 /nfs/dbraw/zinc/20/61/05/823206105.db2.gz ZCRKELVGYLPVGZ-YLJYHZDGSA-N 1 0 389.478 4.376 20 30 GIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000571601743 823206217 /nfs/dbraw/zinc/20/62/17/823206217.db2.gz ZCRKELVGYLPVGZ-PXNSSMCTSA-N 1 0 389.478 4.376 20 30 GIEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571697360 823220986 /nfs/dbraw/zinc/22/09/86/823220986.db2.gz XVJXBGOEYBHISC-WMLDXEAASA-N 1 0 381.442 4.094 20 30 GIEDRO CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459598627 823227455 /nfs/dbraw/zinc/22/74/55/823227455.db2.gz YYARRHBMFGKTDH-DOTOQJQBSA-N 1 0 383.521 4.013 20 30 GIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cccc(Br)c3)CC2)cc1 ZINC000459637987 823235316 /nfs/dbraw/zinc/23/53/16/823235316.db2.gz IWVNOQGFGGSZJU-UHFFFAOYSA-N 1 0 384.321 4.122 20 30 GIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000121799126 823253668 /nfs/dbraw/zinc/25/36/68/823253668.db2.gz KNHKLEMWQDRGPM-MOPGFXCFSA-N 1 0 392.459 4.070 20 30 GIEDRO N#Cc1ccc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(C(F)(F)F)c1 ZINC000571964665 823261779 /nfs/dbraw/zinc/26/17/79/823261779.db2.gz LZJWJFQLDRKKNR-UHFFFAOYSA-N 1 0 388.368 4.234 20 30 GIEDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc(C(F)(F)F)c(C#N)n2)cc1 ZINC000409731882 823293452 /nfs/dbraw/zinc/29/34/52/823293452.db2.gz AQHJCPCOMPQDBC-SFHVURJKSA-N 1 0 390.409 4.230 20 30 GIEDRO N#CCCn1cc(C[NH2+]CCCSc2nccs2)c(-c2ccccc2)n1 ZINC000176797575 823295105 /nfs/dbraw/zinc/29/51/05/823295105.db2.gz NEDCSJVYRPHCHO-UHFFFAOYSA-N 1 0 383.546 4.192 20 30 GIEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000122124221 823309782 /nfs/dbraw/zinc/30/97/82/823309782.db2.gz MYJLDHRZBSHNFG-AVRDEDQJSA-N 1 0 392.478 4.216 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000409848175 823324845 /nfs/dbraw/zinc/32/48/45/823324845.db2.gz ZPIXVPDOMXMQIL-SJORKVTESA-N 1 0 397.544 4.403 20 30 GIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000176960097 823335109 /nfs/dbraw/zinc/33/51/09/823335109.db2.gz KXLLXPNOIZTTOX-FQEVSTJZSA-N 1 0 382.533 4.117 20 30 GIEDRO Cc1c(Cl)cccc1NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517657 818517816 /nfs/dbraw/zinc/51/78/16/818517816.db2.gz CSYCHVBMYPMHJE-UHFFFAOYSA-N 1 0 398.963 4.425 20 30 GIEDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000177026893 823352971 /nfs/dbraw/zinc/35/29/71/823352971.db2.gz AURHJQJIZASHES-QGZVFWFLSA-N 1 0 392.465 4.027 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000021406903 818684323 /nfs/dbraw/zinc/68/43/23/818684323.db2.gz DAZPANHNKOJMBJ-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572538971 823357090 /nfs/dbraw/zinc/35/70/90/823357090.db2.gz PICUYBFSEALOMW-UXHICEINSA-N 1 0 386.902 4.449 20 30 GIEDRO C=C(C)Cn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000460369159 823366255 /nfs/dbraw/zinc/36/62/55/823366255.db2.gz IFDACCIQKBBWTO-UHFFFAOYSA-N 1 0 381.568 4.253 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCc2ccccc2)cc1 ZINC000022730652 818852018 /nfs/dbraw/zinc/85/20/18/818852018.db2.gz UDYDRUVGIWMBQT-UHFFFAOYSA-O 1 0 375.517 4.265 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc2c(c1)CCCC2 ZINC000022798334 818862428 /nfs/dbraw/zinc/86/24/28/818862428.db2.gz ZIGCTVTXZBEIBW-UHFFFAOYSA-O 1 0 385.578 4.327 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000022850408 818867474 /nfs/dbraw/zinc/86/74/74/818867474.db2.gz QBWHWTAWKFTQGH-UHFFFAOYSA-N 1 0 384.321 4.029 20 30 GIEDRO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(C#N)c1C ZINC000177159176 823386683 /nfs/dbraw/zinc/38/66/83/823386683.db2.gz QTGIWEUHBBNMSX-UHFFFAOYSA-N 1 0 397.544 4.104 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000572767251 823394861 /nfs/dbraw/zinc/39/48/61/823394861.db2.gz HYZTYCSOPAHZGT-UHFFFAOYSA-N 1 0 392.434 4.047 20 30 GIEDRO Cc1cccc(C2=CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000572799183 823400905 /nfs/dbraw/zinc/40/09/05/823400905.db2.gz OETRIELDHARDLF-UHFFFAOYSA-N 1 0 383.499 4.457 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000058535462 823405515 /nfs/dbraw/zinc/40/55/15/823405515.db2.gz DEOOHNOFLCZENA-GOSISDBHSA-N 1 0 376.504 4.449 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCSC2)cc1OC ZINC000572916052 823419065 /nfs/dbraw/zinc/41/90/65/823419065.db2.gz OADDFSUQILLCET-CYBMUJFWSA-N 1 0 386.355 4.255 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000189512721 823434431 /nfs/dbraw/zinc/43/44/31/823434431.db2.gz QPKJUEVMFWOZIV-UHFFFAOYSA-N 1 0 376.913 4.235 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460555820 823431059 /nfs/dbraw/zinc/43/10/59/823431059.db2.gz ROEQUEGVWOJOFC-PZJWPPBQSA-N 1 0 381.568 4.062 20 30 GIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025302235 819957991 /nfs/dbraw/zinc/95/79/91/819957991.db2.gz OJNWZZVBTOHOHR-QPPBQGQZSA-N 1 0 394.515 4.118 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000025866999 820032336 /nfs/dbraw/zinc/03/23/36/820032336.db2.gz NDAKMXNWNSFVEK-CZUORRHYSA-N 1 0 379.287 4.150 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000027169515 820204827 /nfs/dbraw/zinc/20/48/27/820204827.db2.gz YOPGBVFUHBMUJC-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000027208135 820209728 /nfs/dbraw/zinc/20/97/28/820209728.db2.gz TWAZZLRAPFGDTE-NRFANRHFSA-N 1 0 388.467 4.222 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C)cc2)cc1 ZINC000027284310 820220528 /nfs/dbraw/zinc/22/05/28/820220528.db2.gz ALXOBECVKSZAJP-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C)cc1 ZINC000027311116 820223177 /nfs/dbraw/zinc/22/31/77/820223177.db2.gz UJDCHPLHURMPOZ-UHFFFAOYSA-O 1 0 379.549 4.266 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058859770 823463450 /nfs/dbraw/zinc/46/34/50/823463450.db2.gz FJKHPSACRQHJNN-KRWDZBQOSA-N 1 0 376.913 4.478 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027485759 820251075 /nfs/dbraw/zinc/25/10/75/820251075.db2.gz UMHSSRFHEJFNMT-HNAYVOBHSA-O 1 0 384.569 4.335 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)CCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000027574853 820262225 /nfs/dbraw/zinc/26/22/25/820262225.db2.gz JRUUUWZBBDIUPD-HXUWFJFHSA-N 1 0 381.545 4.142 20 30 GIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000058883214 823466507 /nfs/dbraw/zinc/46/65/07/823466507.db2.gz FWDSUUVISSXLPQ-UXLLHSPISA-N 1 0 398.576 4.030 20 30 GIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)s3)C2)c(F)c1 ZINC000573232509 823468510 /nfs/dbraw/zinc/46/85/10/823468510.db2.gz KNHTZYYSYFNPCG-CYBMUJFWSA-N 1 0 394.313 4.280 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCC3CCCC3)CC2)cc1Cl ZINC000177483836 823473066 /nfs/dbraw/zinc/47/30/66/823473066.db2.gz CMYKOMVVBGEAQD-UHFFFAOYSA-N 1 0 389.927 4.211 20 30 GIEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000177508010 823479207 /nfs/dbraw/zinc/47/92/07/823479207.db2.gz DSUJBXHKAJSWLQ-ZWKOTPCHSA-N 1 0 379.529 4.312 20 30 GIEDRO CC(C)c1cccc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410374345 823479582 /nfs/dbraw/zinc/47/95/82/823479582.db2.gz UDEBQQOPXVYIII-IBGZPJMESA-N 1 0 393.531 4.039 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000123217036 823480212 /nfs/dbraw/zinc/48/02/12/823480212.db2.gz ASTNYQQNVDWTBS-NVXWUHKLSA-N 1 0 381.451 4.044 20 30 GIEDRO N#CCCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000573364872 823485126 /nfs/dbraw/zinc/48/51/26/823485126.db2.gz WSVHTWRKGZHMCF-UHFFFAOYSA-N 1 0 382.552 4.288 20 30 GIEDRO COc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1OCCCC#N ZINC000177582977 823496323 /nfs/dbraw/zinc/49/63/23/823496323.db2.gz HGTUFXMWRPAURT-UHFFFAOYSA-N 1 0 385.552 4.264 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000060021768 823505186 /nfs/dbraw/zinc/50/51/86/823505186.db2.gz GUWLWLWDLZGLOW-IBGZPJMESA-N 1 0 391.515 4.132 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460776890 823509404 /nfs/dbraw/zinc/50/94/04/823509404.db2.gz DVUKIMLHBHSQGB-UHFFFAOYSA-N 1 0 389.547 4.130 20 30 GIEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000177668368 823511133 /nfs/dbraw/zinc/51/11/33/823511133.db2.gz QRRMESPCOVAPLE-HIQXPHMNSA-N 1 0 377.444 4.290 20 30 GIEDRO Cc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000060238692 823512713 /nfs/dbraw/zinc/51/27/13/823512713.db2.gz GUAPJCYFHJTSEM-JOCHJYFZSA-N 1 0 393.556 4.053 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460789833 823513102 /nfs/dbraw/zinc/51/31/02/823513102.db2.gz BPMKOSSLUDZPTK-UHFFFAOYSA-N 1 0 393.579 4.208 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244752 823513264 /nfs/dbraw/zinc/51/32/64/823513264.db2.gz YFHYXILGPPFVFY-KRWDZBQOSA-N 1 0 389.590 4.419 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1 ZINC000032245751 820904939 /nfs/dbraw/zinc/90/49/39/820904939.db2.gz NUTLHGCRWTYSOX-OAQYLSRUSA-N 1 0 383.495 4.128 20 30 GIEDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000189934425 823515434 /nfs/dbraw/zinc/51/54/34/823515434.db2.gz GXVBXJRJODZEKC-ZETCQYMHSA-N 1 0 386.308 4.417 20 30 GIEDRO C=C(C)Cn1c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460802984 823516701 /nfs/dbraw/zinc/51/67/01/823516701.db2.gz LQRDCEBSDYHQBY-FPOVZHCZSA-N 1 0 393.579 4.243 20 30 GIEDRO CC(C)(CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000032480113 820956224 /nfs/dbraw/zinc/95/62/24/820956224.db2.gz VMVMGFLUURPVIH-UHFFFAOYSA-N 1 0 391.515 4.132 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000032775803 821006970 /nfs/dbraw/zinc/00/69/70/821006970.db2.gz PRCLMHJFJMJFRH-KRWDZBQOSA-N 1 0 384.526 4.123 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000177798434 823527443 /nfs/dbraw/zinc/52/74/43/823527443.db2.gz ASKIPWFXLNHUMD-UXHICEINSA-N 1 0 375.472 4.049 20 30 GIEDRO N#CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123773078 823539426 /nfs/dbraw/zinc/53/94/26/823539426.db2.gz UQFSGSTVFJIYTK-UHFFFAOYSA-N 1 0 387.443 4.183 20 30 GIEDRO CC(=O)c1cc(C#N)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000411059957 823539551 /nfs/dbraw/zinc/53/95/51/823539551.db2.gz FXZDYHDRESEHFO-UHFFFAOYSA-N 1 0 375.472 4.002 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322488 821300006 /nfs/dbraw/zinc/30/00/06/821300006.db2.gz SUDUAMJAHQJZAD-HTAPYJJXSA-N 1 0 394.519 4.010 20 30 GIEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000180700885 821403097 /nfs/dbraw/zinc/40/30/97/821403097.db2.gz FWDHUZZTUPJWIR-MRXNPFEDSA-N 1 0 385.895 4.336 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1O ZINC000180796919 821463536 /nfs/dbraw/zinc/46/35/36/821463536.db2.gz MRHAUEYXTKTWKS-MRXNPFEDSA-N 1 0 395.425 4.182 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(c3ccccc3)CC2)ccc1OC ZINC000180816613 821477266 /nfs/dbraw/zinc/47/72/66/821477266.db2.gz URXMCOQIMHQSNW-NRFANRHFSA-N 1 0 379.504 4.135 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000181130887 821651578 /nfs/dbraw/zinc/65/15/78/821651578.db2.gz RXGMBYDYMFEGCJ-VXGBXAGGSA-N 1 0 390.281 4.208 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000045003216 821688326 /nfs/dbraw/zinc/68/83/26/821688326.db2.gz OHMANIXDKPJRFX-UHFFFAOYSA-N 1 0 395.457 4.011 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286733 821735741 /nfs/dbraw/zinc/73/57/41/821735741.db2.gz RMOGNBBEEVGROT-ROUUACIJSA-N 1 0 376.504 4.130 20 30 GIEDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000181401189 821807206 /nfs/dbraw/zinc/80/72/06/821807206.db2.gz QNYAGGSYOFTVJE-JPYJTQIMSA-N 1 0 379.504 4.085 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000181424360 821819427 /nfs/dbraw/zinc/81/94/27/821819427.db2.gz UVWZFOLCIORIDQ-UHFFFAOYSA-N 1 0 389.421 4.211 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000181486089 821847437 /nfs/dbraw/zinc/84/74/37/821847437.db2.gz ITBAGOZCQSTATD-OAQYLSRUSA-N 1 0 381.520 4.488 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000181486070 821847538 /nfs/dbraw/zinc/84/75/38/821847538.db2.gz ITBAGOZCQSTATD-NRFANRHFSA-N 1 0 381.520 4.488 20 30 GIEDRO N#CC1(c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)CC1 ZINC000181566442 821883114 /nfs/dbraw/zinc/88/31/14/821883114.db2.gz JLGXTHMNZBVUOM-VWNXMTODSA-N 1 0 399.538 4.368 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Br)s3)CC2)cc1 ZINC000181587465 821891769 /nfs/dbraw/zinc/89/17/69/821891769.db2.gz UIPFZFIPZWNOAS-UHFFFAOYSA-N 1 0 390.350 4.136 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000181610251 821902471 /nfs/dbraw/zinc/90/24/71/821902471.db2.gz HJKIUROBAFFVIE-VXGBXAGGSA-N 1 0 379.382 4.465 20 30 GIEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181624900 821909619 /nfs/dbraw/zinc/90/96/19/821909619.db2.gz ZWOBHHHVPHXUAW-LJQANCHMSA-N 1 0 377.532 4.142 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000181628792 821911998 /nfs/dbraw/zinc/91/19/98/821911998.db2.gz CEVAVNPFAOLPIO-QFIPXVFZSA-N 1 0 388.540 4.358 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000181653590 821924966 /nfs/dbraw/zinc/92/49/66/821924966.db2.gz CUSSDLFWVAMTOE-ZWKOTPCHSA-N 1 0 376.504 4.226 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(Br)cc3)CC2)cc1 ZINC000181767264 821984187 /nfs/dbraw/zinc/98/41/87/821984187.db2.gz YEGAMEOZKYVGCT-UHFFFAOYSA-N 1 0 398.348 4.117 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000181842593 822014635 /nfs/dbraw/zinc/01/46/35/822014635.db2.gz UHOZIPQHSMCWNS-LJQANCHMSA-N 1 0 385.515 4.059 20 30 GIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845536 822015354 /nfs/dbraw/zinc/01/53/54/822015354.db2.gz JUSMSUDRXMHUIP-BXTJHSDWSA-N 1 0 379.460 4.110 20 30 GIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845588 822015451 /nfs/dbraw/zinc/01/54/51/822015451.db2.gz JUSMSUDRXMHUIP-AVYPCKFXSA-N 1 0 379.460 4.110 20 30 GIEDRO CC(C)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872876 822022421 /nfs/dbraw/zinc/02/24/21/822022421.db2.gz MVSNGMBGDRKVRQ-PKOBYXMFSA-N 1 0 381.442 4.191 20 30 GIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181877846 822024264 /nfs/dbraw/zinc/02/42/64/822024264.db2.gz YQVFODZQFAOVDP-IBGZPJMESA-N 1 0 399.542 4.368 20 30 GIEDRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(OCC#N)cc1 ZINC000181966436 822048085 /nfs/dbraw/zinc/04/80/85/822048085.db2.gz GQVVOCCODKRNBV-CQSZACIVSA-N 1 0 382.851 4.186 20 30 GIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181967014 822048253 /nfs/dbraw/zinc/04/82/53/822048253.db2.gz PFRZHNKPKXHXBD-IEBWSBKVSA-N 1 0 381.442 4.191 20 30 GIEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)cc2)c1 ZINC000182067315 822080176 /nfs/dbraw/zinc/08/01/76/822080176.db2.gz USBZWTSDFQUXIA-UUOWRZLLSA-N 1 0 391.515 4.033 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110601 822097918 /nfs/dbraw/zinc/09/79/18/822097918.db2.gz CMABDEYQRDSWIL-XZOQPEGZSA-N 1 0 395.934 4.296 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182645303 822336972 /nfs/dbraw/zinc/33/69/72/822336972.db2.gz DXYUMMZDBGVJNU-IAGOWNOFSA-N 1 0 391.471 4.427 20 30 GIEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453458141 822367995 /nfs/dbraw/zinc/36/79/95/822367995.db2.gz YZSYRVQDFSSLFG-GOSISDBHSA-N 1 0 389.588 4.043 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000453581184 822387948 /nfs/dbraw/zinc/38/79/48/822387948.db2.gz LYSCXZVKTCKVKD-CQSZACIVSA-N 1 0 398.341 4.317 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182943345 822397492 /nfs/dbraw/zinc/39/74/92/822397492.db2.gz NNQOXABPMYWITQ-NQIIRXRSSA-N 1 0 382.552 4.133 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000045780091 822412919 /nfs/dbraw/zinc/41/29/19/822412919.db2.gz MUXFOBINHGEUGW-LJQANCHMSA-N 1 0 390.531 4.274 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000178869736 822417909 /nfs/dbraw/zinc/41/79/09/822417909.db2.gz WAVHQYZCAFFGQT-UHFFFAOYSA-N 1 0 379.435 4.014 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000178904062 822420442 /nfs/dbraw/zinc/42/04/42/822420442.db2.gz LNYMUVNVDCETJS-UHFFFAOYSA-N 1 0 393.984 4.257 20 30 GIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(C#N)cc3)sc2C1 ZINC000046529221 822481946 /nfs/dbraw/zinc/48/19/46/822481946.db2.gz NUTDYBPCMZBYCH-OAHLLOKOSA-N 1 0 392.528 4.077 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)F)c1 ZINC000179585901 822507144 /nfs/dbraw/zinc/50/71/44/822507144.db2.gz OPIVPINTQYKGPB-LLVKDONJSA-N 1 0 379.794 4.102 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000179592191 822508657 /nfs/dbraw/zinc/50/86/57/822508657.db2.gz HBCBOCHLHDQIIP-HOTGVXAUSA-N 1 0 387.430 4.274 20 30 GIEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594368 822509111 /nfs/dbraw/zinc/50/91/11/822509111.db2.gz DSCUQSFYWVUVCM-ATKRNPRHSA-N 1 0 397.494 4.020 20 30 GIEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594418 822509134 /nfs/dbraw/zinc/50/91/34/822509134.db2.gz BTOASMAOLCNBHD-FEPNQTLGSA-N 1 0 379.504 4.263 20 30 GIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2CC)c(OC)c1 ZINC000046866045 822525481 /nfs/dbraw/zinc/52/54/81/822525481.db2.gz LJYDRQHDPRNBPF-PKOBYXMFSA-N 1 0 387.545 4.234 20 30 GIEDRO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000183836337 822533972 /nfs/dbraw/zinc/53/39/72/822533972.db2.gz PRQMPOXIMHSBES-UHFFFAOYSA-N 1 0 389.381 4.197 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000047011099 822537591 /nfs/dbraw/zinc/53/75/91/822537591.db2.gz NDJHXODWYKGDNS-UHFFFAOYSA-N 1 0 391.446 4.161 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183954229 822553361 /nfs/dbraw/zinc/55/33/61/822553361.db2.gz ILHUVEKXYNJLPY-MSOLQXFVSA-N 1 0 384.549 4.131 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000179794170 822554145 /nfs/dbraw/zinc/55/41/45/822554145.db2.gz KDTJTEGGTAHYCX-PKOBYXMFSA-N 1 0 390.487 4.359 20 30 GIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000179881004 822570790 /nfs/dbraw/zinc/57/07/90/822570790.db2.gz HWLODWNWJJHUIG-KRWDZBQOSA-N 1 0 378.472 4.081 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179917151 822576661 /nfs/dbraw/zinc/57/66/61/822576661.db2.gz PQKZNNXVWSLTBG-IBGZPJMESA-N 1 0 397.482 4.480 20 30 GIEDRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000184192149 822593795 /nfs/dbraw/zinc/59/37/95/822593795.db2.gz RMTZBRKNKAOOOM-CYBMUJFWSA-N 1 0 388.562 4.333 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1 ZINC000180009722 822595369 /nfs/dbraw/zinc/59/53/69/822595369.db2.gz FNYPPHQIQNMGKU-FXAWDEMLSA-N 1 0 380.492 4.182 20 30 GIEDRO Cc1csc(C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000180028439 822600382 /nfs/dbraw/zinc/60/03/82/822600382.db2.gz BXFVMBJLSDLPKA-UHFFFAOYSA-N 1 0 377.517 4.103 20 30 GIEDRO Cn1cc(C[NH2+]CCCSc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180030003 822600573 /nfs/dbraw/zinc/60/05/73/822600573.db2.gz ZRWWSLDIHOZYAI-UHFFFAOYSA-N 1 0 380.492 4.370 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000180037491 822602160 /nfs/dbraw/zinc/60/21/60/822602160.db2.gz ACWVJVLAZJAJBL-IRXDYDNUSA-N 1 0 380.492 4.228 20 30 GIEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccsc1 ZINC000180050399 822604585 /nfs/dbraw/zinc/60/45/85/822604585.db2.gz YPHWRQITRYHTQH-OAQYLSRUSA-N 1 0 393.560 4.193 20 30 GIEDRO N#Cc1cccc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)c1 ZINC000180206507 822639452 /nfs/dbraw/zinc/63/94/52/822639452.db2.gz SGTXWVKOZFYVMU-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455366046 822640954 /nfs/dbraw/zinc/64/09/54/822640954.db2.gz JMPZTPBTEWTZRB-UHFFFAOYSA-N 1 0 377.532 4.237 20 30 GIEDRO CCCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1OC ZINC000180342212 822666796 /nfs/dbraw/zinc/66/67/96/822666796.db2.gz ARNRNXAEQNKRSK-AWEZNQCLSA-N 1 0 387.505 4.097 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000048826748 822684889 /nfs/dbraw/zinc/68/48/89/822684889.db2.gz VDXXTASWEAFAIW-MOPGFXCFSA-N 1 0 390.531 4.493 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184793042 822691873 /nfs/dbraw/zinc/69/18/73/822691873.db2.gz OLTCTRPCMNSGFV-HNNXBMFYSA-N 1 0 387.549 4.202 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000455696285 822704801 /nfs/dbraw/zinc/70/48/01/822704801.db2.gz BZFGPNCUDXYVSB-MAUKXSAKSA-N 1 0 382.895 4.191 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180580034 822705692 /nfs/dbraw/zinc/70/56/92/822705692.db2.gz LUGUTODWJVZLQK-MRXNPFEDSA-N 1 0 382.357 4.368 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137005 822720025 /nfs/dbraw/zinc/72/00/25/822720025.db2.gz RKOSFWCMUXCIPR-HXUWFJFHSA-N 1 0 383.561 4.358 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137004 822720076 /nfs/dbraw/zinc/72/00/76/822720076.db2.gz RKOSFWCMUXCIPR-FQEVSTJZSA-N 1 0 383.561 4.358 20 30 GIEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000455761468 822721574 /nfs/dbraw/zinc/72/15/74/822721574.db2.gz ZTFOOCAWGLTADI-UHFFFAOYSA-N 1 0 382.895 4.192 20 30 GIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000050989105 822743761 /nfs/dbraw/zinc/74/37/61/822743761.db2.gz BDHTUZACBWRGKJ-UHFFFAOYSA-N 1 0 390.531 4.084 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+](C)C ZINC000455941056 822754059 /nfs/dbraw/zinc/75/40/59/822754059.db2.gz IMNIRVQMJWWMNZ-BEFAXECRSA-N 1 0 380.517 4.123 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000455944099 822755063 /nfs/dbraw/zinc/75/50/63/822755063.db2.gz MJSHNLMRJDTHCR-MOPGFXCFSA-N 1 0 392.528 4.458 20 30 GIEDRO COc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000185296355 822761285 /nfs/dbraw/zinc/76/12/85/822761285.db2.gz XOEVPRIDLFLTTK-UHFFFAOYSA-N 1 0 386.499 4.179 20 30 GIEDRO C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456001146 822764783 /nfs/dbraw/zinc/76/47/83/822764783.db2.gz UPSNJFAMDLRCAT-CVDCTZTESA-N 1 0 389.543 4.154 20 30 GIEDRO CSc1ccc([C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000456032593 822769027 /nfs/dbraw/zinc/76/90/27/822769027.db2.gz OBUZWARFTLKGIU-NRFANRHFSA-N 1 0 395.572 4.268 20 30 GIEDRO N#Cc1ccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)cc1 ZINC000185573165 822798066 /nfs/dbraw/zinc/79/80/66/822798066.db2.gz VZLZKEUTDSAJRJ-UHFFFAOYSA-O 1 0 376.436 4.036 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185578711 822798635 /nfs/dbraw/zinc/79/86/35/822798635.db2.gz DCFSPPVPBBEJCQ-UHFFFAOYSA-O 1 0 392.548 4.053 20 30 GIEDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352027 822801193 /nfs/dbraw/zinc/80/11/93/822801193.db2.gz XVDFZRTXZYPYRT-LJQANCHMSA-N 1 0 375.516 4.082 20 30 GIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000185807756 822823131 /nfs/dbraw/zinc/82/31/31/822823131.db2.gz DQNLZFVIIVPUOZ-QAPCUYQASA-N 1 0 377.326 4.169 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185831805 822825467 /nfs/dbraw/zinc/82/54/67/822825467.db2.gz WIPSCYVHWQNCRI-PXNSSMCTSA-N 1 0 377.479 4.242 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000053720984 822845988 /nfs/dbraw/zinc/84/59/88/822845988.db2.gz WBKUVMVARIWOMK-UHFFFAOYSA-N 1 0 391.559 4.199 20 30 GIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174878097 822849767 /nfs/dbraw/zinc/84/97/67/822849767.db2.gz BVFRFOUBENODGB-SFHVURJKSA-N 1 0 389.499 4.309 20 30 GIEDRO CC(C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054000717 822856505 /nfs/dbraw/zinc/85/65/05/822856505.db2.gz GQKLNTQTWSTDNN-QHCPKHFHSA-N 1 0 390.531 4.173 20 30 GIEDRO COc1cccc([C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000457479409 822879529 /nfs/dbraw/zinc/87/95/29/822879529.db2.gz MNWURIMWOUCJHK-FGZHOGPDSA-N 1 0 394.519 4.032 20 30 GIEDRO N#CCCn1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(-c2ccccc2)n1 ZINC000186435502 822894972 /nfs/dbraw/zinc/89/49/72/822894972.db2.gz PIPWQOUUSWEZRF-XMMPIXPASA-N 1 0 384.483 4.095 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720343 822907766 /nfs/dbraw/zinc/90/77/66/822907766.db2.gz SPUDBMHHEGLFSD-CVDCTZTESA-N 1 0 390.531 4.315 20 30 GIEDRO Cc1ccc2c(CC[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cn(C)c2c1 ZINC000186544037 822910974 /nfs/dbraw/zinc/91/09/74/822910974.db2.gz NWFSAQAKVVSWTK-UHFFFAOYSA-N 1 0 383.499 4.091 20 30 GIEDRO N#Cc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000055013892 822931158 /nfs/dbraw/zinc/93/11/58/822931158.db2.gz SOEPLEYVRYPQLB-UHFFFAOYSA-O 1 0 398.511 4.385 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000055013007 822931227 /nfs/dbraw/zinc/93/12/27/822931227.db2.gz DMKDGHNRKMDEEE-UHFFFAOYSA-O 1 0 381.565 4.490 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2cccc(OC)c2)C(=S)NC(C)(C)C)cc1 ZINC000055014270 822931396 /nfs/dbraw/zinc/93/13/96/822931396.db2.gz IQOJROVRSPTBLC-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1F)[n+]1ccc(C)cc1 ZINC000186954042 822986224 /nfs/dbraw/zinc/98/62/24/822986224.db2.gz MNMVJNWPKOCFPR-UHFFFAOYSA-O 1 0 384.456 4.077 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cc(C)ccc1F)[n+]1cccc(C)c1 ZINC000186964595 822988638 /nfs/dbraw/zinc/98/86/38/822988638.db2.gz CBJHILFZFNUCOK-UHFFFAOYSA-O 1 0 398.483 4.386 20 30 GIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000569951308 822989226 /nfs/dbraw/zinc/98/92/26/822989226.db2.gz POVOZVULUFYAFK-AOMKIAJQSA-N 1 0 383.467 4.323 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1ccccc1 ZINC000186976649 822990786 /nfs/dbraw/zinc/99/07/86/822990786.db2.gz CYEVCPSJGINEPB-UHFFFAOYSA-O 1 0 393.479 4.293 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175620819 823008194 /nfs/dbraw/zinc/00/81/94/823008194.db2.gz LSHCKGCNNWSIJU-HKUYNNGSSA-N 1 0 384.524 4.075 20 30 GIEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175684940 823019966 /nfs/dbraw/zinc/01/99/66/823019966.db2.gz XQWXDHOVQFZSBU-KRWDZBQOSA-N 1 0 379.529 4.123 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 ZINC000570399843 823032850 /nfs/dbraw/zinc/03/28/50/823032850.db2.gz MVJVOUFIBMSILQ-INIZCTEOSA-N 1 0 382.489 4.181 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460954619 823549931 /nfs/dbraw/zinc/54/99/31/823549931.db2.gz CINAYGBLNDIICG-LPHOPBHVSA-N 1 0 385.943 4.238 20 30 GIEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCC3(C#N)CCCCC3)CC2)cs1 ZINC000411331183 823564797 /nfs/dbraw/zinc/56/47/97/823564797.db2.gz LKVCQBFTVBLLKM-SFHVURJKSA-N 1 0 390.597 4.222 20 30 GIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000060951645 823569009 /nfs/dbraw/zinc/56/90/09/823569009.db2.gz OQDNJCUTWYUXSX-UHFFFAOYSA-N 1 0 381.479 4.386 20 30 GIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(C(=O)NCc2ccc(C)cc2)c1 ZINC000060979125 823570884 /nfs/dbraw/zinc/57/08/84/823570884.db2.gz QLEVVTWUDZVZJW-UHFFFAOYSA-N 1 0 398.506 4.227 20 30 GIEDRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411427743 823573012 /nfs/dbraw/zinc/57/30/12/823573012.db2.gz UKGAQJKUVJNFGM-HUUCEWRRSA-N 1 0 382.533 4.161 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000124228524 823579284 /nfs/dbraw/zinc/57/92/84/823579284.db2.gz YADFYYPTRKHTLL-FQEVSTJZSA-N 1 0 385.895 4.336 20 30 GIEDRO C[N@H+](CCCCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190508608 823582194 /nfs/dbraw/zinc/58/21/94/823582194.db2.gz LWRWSXDGOCSQLI-MRXNPFEDSA-N 1 0 381.314 4.133 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630502 823593621 /nfs/dbraw/zinc/59/36/21/823593621.db2.gz RCRDISLZIPJBHI-HOYKHHGWSA-N 1 0 396.494 4.072 20 30 GIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(c2ccccc2)CC1 ZINC000411664233 823595754 /nfs/dbraw/zinc/59/57/54/823595754.db2.gz IZXOOWBKOXHTRH-UHFFFAOYSA-N 1 0 396.922 4.141 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000461210984 823599417 /nfs/dbraw/zinc/59/94/17/823599417.db2.gz JAAMFLXRVWKGPI-UHFFFAOYSA-N 1 0 384.442 4.122 20 30 GIEDRO N#CCCC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000411763844 823603390 /nfs/dbraw/zinc/60/33/90/823603390.db2.gz ZHLDELVHNXGDJS-LJQANCHMSA-N 1 0 392.528 4.462 20 30 GIEDRO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190790829 823609376 /nfs/dbraw/zinc/60/93/76/823609376.db2.gz UHUFXSZVHQOPDR-UHFFFAOYSA-N 1 0 376.460 4.163 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000411977158 823617473 /nfs/dbraw/zinc/61/74/73/823617473.db2.gz AOCMQTCEJSMOCM-GOSISDBHSA-N 1 0 388.508 4.070 20 30 GIEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124690975 823617883 /nfs/dbraw/zinc/61/78/83/823617883.db2.gz HLHWUCMKISLZPD-HXUWFJFHSA-N 1 0 391.515 4.463 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062407213 823633390 /nfs/dbraw/zinc/63/33/90/823633390.db2.gz CDGYNNOQKDQKJU-UHFFFAOYSA-N 1 0 398.482 4.080 20 30 GIEDRO N#CC[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461426995 823634329 /nfs/dbraw/zinc/63/43/29/823634329.db2.gz KEYDVAADDAKURX-SGNDLWITSA-N 1 0 387.527 4.054 20 30 GIEDRO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000412200370 823635040 /nfs/dbraw/zinc/63/50/40/823635040.db2.gz AYAJKHKPHUBJFW-IZSMGAQTSA-N 1 0 387.527 4.079 20 30 GIEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000062485340 823638265 /nfs/dbraw/zinc/63/82/65/823638265.db2.gz FFIUCKSSANFOHR-UHFFFAOYSA-N 1 0 381.495 4.011 20 30 GIEDRO N#Cc1cnc2ccccc2c1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000461454651 823641124 /nfs/dbraw/zinc/64/11/24/823641124.db2.gz VIOMBWHYCOXFGG-UHFFFAOYSA-N 1 0 376.891 4.258 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000125264759 823663390 /nfs/dbraw/zinc/66/33/90/823663390.db2.gz ZLHLPZHHRGLNNB-FQEVSTJZSA-N 1 0 383.442 4.039 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000063388249 823666353 /nfs/dbraw/zinc/66/63/53/823666353.db2.gz WEIFSRMLILSNPF-ISKFKSNPSA-N 1 0 376.500 4.001 20 30 GIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000063578892 823680712 /nfs/dbraw/zinc/68/07/12/823680712.db2.gz RYCKJZNFLXZTSD-UHFFFAOYSA-N 1 0 376.250 4.032 20 30 GIEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461698902 823683277 /nfs/dbraw/zinc/68/32/77/823683277.db2.gz UGRZAXJKXZGNOM-LJQANCHMSA-N 1 0 394.494 4.370 20 30 GIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063667868 823687888 /nfs/dbraw/zinc/68/78/88/823687888.db2.gz INSNTYIWTVMHHR-UHFFFAOYSA-N 1 0 393.531 4.330 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063667907 823687905 /nfs/dbraw/zinc/68/79/05/823687905.db2.gz UGHIZXXEUQYNJC-UHFFFAOYSA-N 1 0 375.516 4.207 20 30 GIEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000461740730 823690122 /nfs/dbraw/zinc/69/01/22/823690122.db2.gz MPTWAMQYNUPPTA-FDDCHVKYSA-N 1 0 391.515 4.014 20 30 GIEDRO Cn1cc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1C#N ZINC000191618806 823714902 /nfs/dbraw/zinc/71/49/02/823714902.db2.gz UNPFEEPRVYLCRO-SFHVURJKSA-N 1 0 376.273 4.429 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413170766 823719966 /nfs/dbraw/zinc/71/99/66/823719966.db2.gz ADSKUDSHAKTRAC-VQTJNVASSA-N 1 0 377.488 4.021 20 30 GIEDRO COc1cccc(C2(C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000574443743 823731991 /nfs/dbraw/zinc/73/19/91/823731991.db2.gz VKWUNIJQJDHLII-UHFFFAOYSA-N 1 0 386.499 4.294 20 30 GIEDRO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)CC(C)(C)CCC#N ZINC000191687450 823733965 /nfs/dbraw/zinc/73/39/65/823733965.db2.gz GBBQDAMBCZYFRW-UHFFFAOYSA-N 1 0 397.357 4.361 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1)C[C@@H]1CCCCO1 ZINC000461928038 823759781 /nfs/dbraw/zinc/75/97/81/823759781.db2.gz PHLFZVLWCJTUGE-BAGYTPMASA-N 1 0 398.551 4.280 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549135 823761670 /nfs/dbraw/zinc/76/16/70/823761670.db2.gz LTPCCUKIHZUVNW-QMHWCDLVSA-N 1 0 394.563 4.232 20 30 GIEDRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000462011645 823793898 /nfs/dbraw/zinc/79/38/98/823793898.db2.gz ATXCIIQEUYDAPL-LJQANCHMSA-N 1 0 375.516 4.354 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000574712740 823806629 /nfs/dbraw/zinc/80/66/29/823806629.db2.gz IMCORDYZERDFEC-OAHLLOKOSA-N 1 0 383.805 4.039 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)ccc1Cl ZINC000191932877 823814824 /nfs/dbraw/zinc/81/48/24/823814824.db2.gz FSCHRGCPQCXMDT-IRLDBZIGSA-N 1 0 397.906 4.015 20 30 GIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000165032898 823831229 /nfs/dbraw/zinc/83/12/29/823831229.db2.gz YQIQNXFIEOGBFS-NQIIRXRSSA-N 1 0 390.487 4.299 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192142190 823877395 /nfs/dbraw/zinc/87/73/95/823877395.db2.gz PWMKJKPBILAGHK-MSOLQXFVSA-N 1 0 393.231 4.219 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792934 823895793 /nfs/dbraw/zinc/89/57/93/823895793.db2.gz XNAIBURQUQDVEG-QZTJIDSGSA-N 1 0 396.506 4.211 20 30 GIEDRO C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccc(C#N)c1 ZINC000462265794 823905884 /nfs/dbraw/zinc/90/58/84/823905884.db2.gz CGVKOTPJXNLPGU-HXUWFJFHSA-N 1 0 387.527 4.176 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000575081075 823906876 /nfs/dbraw/zinc/90/68/76/823906876.db2.gz JFZMCEOKWXNDPA-OAQYLSRUSA-N 1 0 391.506 4.298 20 30 GIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(-c4ccccc4)cs3)C2=O)cc1 ZINC000192241522 823913281 /nfs/dbraw/zinc/91/32/81/823913281.db2.gz MEDYPBPNZBOBDR-JOCHJYFZSA-N 1 0 387.508 4.177 20 30 GIEDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2=O)ccc1Br ZINC000462335311 823929172 /nfs/dbraw/zinc/92/91/72/823929172.db2.gz BINPCWRCGJTVFQ-AUUYWEPGSA-N 1 0 398.304 4.085 20 30 GIEDRO COc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1OC(F)F ZINC000170670809 823932564 /nfs/dbraw/zinc/93/25/64/823932564.db2.gz GXELDNFWLFRWPW-UHFFFAOYSA-N 1 0 378.444 4.191 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192339348 823951949 /nfs/dbraw/zinc/95/19/49/823951949.db2.gz OJXUNFDHQBPDKY-UHFFFAOYSA-N 1 0 381.524 4.158 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192351652 823956246 /nfs/dbraw/zinc/95/62/46/823956246.db2.gz QNTDTTFFMJMNNP-MAUKXSAKSA-N 1 0 395.528 4.392 20 30 GIEDRO C[C@H](NC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000170907492 824003694 /nfs/dbraw/zinc/00/36/94/824003694.db2.gz QARFDKDSWOLCDH-NHYWBVRUSA-N 1 0 391.302 4.085 20 30 GIEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414574875 824014869 /nfs/dbraw/zinc/01/48/69/824014869.db2.gz BBZOCSMKMKWLOO-UHFFFAOYSA-N 1 0 390.350 4.136 20 30 GIEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414900398 824047507 /nfs/dbraw/zinc/04/75/07/824047507.db2.gz HGSZDPHVSDUTOW-MJGOQNOKSA-N 1 0 382.895 4.211 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1C[NH3+] ZINC000414898781 824047553 /nfs/dbraw/zinc/04/75/53/824047553.db2.gz FAQMTXNPQZDQOE-MDYRTPRTSA-N 1 0 396.922 4.444 20 30 GIEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911820 824049145 /nfs/dbraw/zinc/04/91/45/824049145.db2.gz TWEIWAMEGHTHOI-WIYYLYMNSA-N 1 0 382.895 4.198 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000414914935 824049457 /nfs/dbraw/zinc/04/94/57/824049457.db2.gz YMULREBSCDJGON-IDHHARJASA-N 1 0 382.895 4.244 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000414962456 824054177 /nfs/dbraw/zinc/05/41/77/824054177.db2.gz JSTRDYRQXATPPU-ACJLOTCBSA-N 1 0 384.867 4.205 20 30 GIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC ZINC001164702706 719824677 /nfs/dbraw/zinc/82/46/77/719824677.db2.gz SZVDAEKDDWSHSK-DYESRHJHSA-N 1 0 375.944 4.392 20 30 GIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C(C)(C)c1ccnc(Cl)c1)[C@H]2CC ZINC001164702712 719824733 /nfs/dbraw/zinc/82/47/33/719824733.db2.gz SZVDAEKDDWSHSK-UWJYYQICSA-N 1 0 375.944 4.392 20 30 GIEDRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000120752040 823056920 /nfs/dbraw/zinc/05/69/20/823056920.db2.gz IWKKWPRYNIELKU-NRFANRHFSA-N 1 0 380.492 4.184 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000458574300 823058188 /nfs/dbraw/zinc/05/81/88/823058188.db2.gz XFWMCSUKYUFFEK-UEVCKROQSA-N 1 0 390.531 4.384 20 30 GIEDRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000458619705 823064775 /nfs/dbraw/zinc/06/47/75/823064775.db2.gz KWFSTWPHFQUXDZ-UHFFFAOYSA-N 1 0 378.520 4.145 20 30 GIEDRO N#CCCCNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458654448 823070428 /nfs/dbraw/zinc/07/04/28/823070428.db2.gz PFWFSULOTPETEB-JOCHJYFZSA-N 1 0 382.552 4.157 20 30 GIEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458798406 823087159 /nfs/dbraw/zinc/08/71/59/823087159.db2.gz ICXKZAHNKWRGCY-JOCHJYFZSA-N 1 0 396.510 4.334 20 30 GIEDRO CC[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000570770111 823084702 /nfs/dbraw/zinc/08/47/02/823084702.db2.gz LUOSDNSCOOUNEC-UHFFFAOYSA-N 1 0 377.488 4.121 20 30 GIEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458807679 823089693 /nfs/dbraw/zinc/08/96/93/823089693.db2.gz XYFDNWUCQXGFBL-QFIPXVFZSA-N 1 0 394.519 4.321 20 30 GIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153163 823090148 /nfs/dbraw/zinc/09/01/48/823090148.db2.gz BWPFUNNFWHLJOY-OALUTQOASA-N 1 0 393.531 4.403 20 30 GIEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458843489 823096529 /nfs/dbraw/zinc/09/65/29/823096529.db2.gz PPAANHOJZAJJDG-VXKWHMMOSA-N 1 0 394.519 4.032 20 30 GIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182874 823097602 /nfs/dbraw/zinc/09/76/02/823097602.db2.gz OEKUNRCCYOEYJY-IAGOWNOFSA-N 1 0 395.503 4.424 20 30 GIEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4ccnc5ccccc54)CC3)C2=O)cc1 ZINC000570864538 823098452 /nfs/dbraw/zinc/09/84/52/823098452.db2.gz VOZUUQRNSVYZSG-XMMPIXPASA-N 1 0 396.494 4.091 20 30 GIEDRO COC1CCN(C2(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CCCC2)CC1 ZINC000571247821 823155389 /nfs/dbraw/zinc/15/53/89/823155389.db2.gz AUGPWFZLHLSGPA-UHFFFAOYSA-N 1 0 395.469 4.090 20 30 GIEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1O ZINC000459295768 823157640 /nfs/dbraw/zinc/15/76/40/823157640.db2.gz DIRLVXGCRXPOQD-UHFFFAOYSA-N 1 0 399.922 4.024 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 ZINC000176244671 823161876 /nfs/dbraw/zinc/16/18/76/823161876.db2.gz JXKVZIHXZCJVOO-UHFFFAOYSA-N 1 0 398.532 4.162 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302375 823162363 /nfs/dbraw/zinc/16/23/63/823162363.db2.gz LKQXXQQKAVYEEA-VGOFRKELSA-N 1 0 382.479 4.232 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000056565322 823171199 /nfs/dbraw/zinc/17/11/99/823171199.db2.gz UAEWFFASOATFKU-UHFFFAOYSA-N 1 0 396.510 4.188 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000121516374 823198504 /nfs/dbraw/zinc/19/85/04/823198504.db2.gz XNZMJSBPLBHLMP-AWEZNQCLSA-N 1 0 381.423 4.422 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1F ZINC000121522603 823199748 /nfs/dbraw/zinc/19/97/48/823199748.db2.gz KMZZDSVSYDVJDW-QGZVFWFLSA-N 1 0 383.467 4.049 20 30 GIEDRO CC(C)CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000121605348 823214516 /nfs/dbraw/zinc/21/45/16/823214516.db2.gz XDHRXAMCRZTZSE-UHFFFAOYSA-N 1 0 380.536 4.491 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056889875 823228484 /nfs/dbraw/zinc/22/84/84/823228484.db2.gz DXGMCJITEPRWCQ-UHFFFAOYSA-N 1 0 399.485 4.327 20 30 GIEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OCc2ccccc2)c1 ZINC000176555001 823235988 /nfs/dbraw/zinc/23/59/88/823235988.db2.gz NZELCXAQUOUVBR-UHFFFAOYSA-N 1 0 394.519 4.273 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000176557338 823236610 /nfs/dbraw/zinc/23/66/10/823236610.db2.gz ZRMGCMAFTTYNDS-UHFFFAOYSA-N 1 0 391.947 4.030 20 30 GIEDRO N#Cc1ccc2ncc(CNc3ccc(SCC[NH+]4CCCCC4)cc3)n2c1 ZINC000571917343 823253430 /nfs/dbraw/zinc/25/34/30/823253430.db2.gz DSKZIGNPHCLQLU-UHFFFAOYSA-N 1 0 391.544 4.396 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000121818442 823257445 /nfs/dbraw/zinc/25/74/45/823257445.db2.gz SFPPZWRASGBFOA-UHFFFAOYSA-O 1 0 375.517 4.320 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000121836718 823260170 /nfs/dbraw/zinc/26/01/70/823260170.db2.gz DQKRJOQWOIGPLE-UHFFFAOYSA-O 1 0 390.960 4.022 20 30 GIEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000005156449 817555796 /nfs/dbraw/zinc/55/57/96/817555796.db2.gz JQNAPAAYEQDKOA-UHFFFAOYSA-O 1 0 396.423 4.072 20 30 GIEDRO N#CC[C@H](CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572174258 823294683 /nfs/dbraw/zinc/29/46/83/823294683.db2.gz HRPXXZKVNBCEDH-ISKFKSNPSA-N 1 0 389.543 4.492 20 30 GIEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122024839 823295003 /nfs/dbraw/zinc/29/50/03/823295003.db2.gz UTPZBNZJETWLRB-SFHVURJKSA-N 1 0 378.582 4.174 20 30 GIEDRO C=CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000188738790 823295585 /nfs/dbraw/zinc/29/55/85/823295585.db2.gz JLPFBORTVVOUFO-XMMPIXPASA-N 1 0 392.543 4.383 20 30 GIEDRO C[N@H+](Cc1ccccc1NC(=O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000057565922 823310293 /nfs/dbraw/zinc/31/02/93/823310293.db2.gz BRTGZBHRWPPKLU-UHFFFAOYSA-N 1 0 377.488 4.340 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000057641706 823317194 /nfs/dbraw/zinc/31/71/94/823317194.db2.gz DFYSRRIJKOZDNG-QHCPKHFHSA-N 1 0 397.494 4.458 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2Br)cc1 ZINC000176990911 823344307 /nfs/dbraw/zinc/34/43/07/823344307.db2.gz INZVEOXFNVVKDK-HUUCEWRRSA-N 1 0 389.293 4.297 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000057964479 823350892 /nfs/dbraw/zinc/35/08/92/823350892.db2.gz RUHSEJLVHVEOKJ-MRXNPFEDSA-N 1 0 380.488 4.386 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)ccc1OC ZINC000057967229 823351387 /nfs/dbraw/zinc/35/13/87/823351387.db2.gz NKGHRBQMTATCOM-UHFFFAOYSA-N 1 0 381.451 4.265 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022687285 818844494 /nfs/dbraw/zinc/84/44/94/818844494.db2.gz UVPYNTSFUAHDGI-UHFFFAOYSA-O 1 0 387.528 4.279 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687410 818844502 /nfs/dbraw/zinc/84/45/02/818844502.db2.gz JBSMLTTYIDLNOR-UHFFFAOYSA-O 1 0 389.491 4.264 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC)cc1 ZINC000022734256 818852549 /nfs/dbraw/zinc/85/25/49/818852549.db2.gz WNWBAXQONGHNAB-UHFFFAOYSA-O 1 0 377.480 4.314 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCCOC)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000022794625 818861866 /nfs/dbraw/zinc/86/18/66/818861866.db2.gz JIWMNMKIYDEMOX-UHFFFAOYSA-O 1 0 399.580 4.009 20 30 GIEDRO CCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000023580428 818960452 /nfs/dbraw/zinc/96/04/52/818960452.db2.gz HENSFZQSIVGCDY-UHFFFAOYSA-O 1 0 392.548 4.058 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC2(CCCC2)O1 ZINC000572701133 823385597 /nfs/dbraw/zinc/38/55/97/823385597.db2.gz MNEWNAINAJKCHS-SFHVURJKSA-N 1 0 390.597 4.076 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC2(CCCC2)O1 ZINC000572701132 823385652 /nfs/dbraw/zinc/38/56/52/823385652.db2.gz MNEWNAINAJKCHS-GOSISDBHSA-N 1 0 390.597 4.076 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122705475 823397860 /nfs/dbraw/zinc/39/78/60/823397860.db2.gz AOEOCWCBVUQBTL-IECBHUPTSA-N 1 0 394.515 4.392 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(-c4ccsc4)s3)CC2)cc1 ZINC000122820930 823418001 /nfs/dbraw/zinc/41/80/01/823418001.db2.gz CNHNLRJASONRQY-UHFFFAOYSA-N 1 0 394.569 4.451 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476826 823425702 /nfs/dbraw/zinc/42/57/02/823425702.db2.gz BSUQOAYGYLKGTF-QGZVFWFLSA-N 1 0 378.476 4.156 20 30 GIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460562267 823433861 /nfs/dbraw/zinc/43/38/61/823433861.db2.gz ZACAUUPJUUSIBR-UHFFFAOYSA-N 1 0 397.567 4.052 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000025438752 819979963 /nfs/dbraw/zinc/97/99/63/819979963.db2.gz ZMKQRYSHEFDSBG-UHFFFAOYSA-N 1 0 391.412 4.424 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000026135051 820063387 /nfs/dbraw/zinc/06/33/87/820063387.db2.gz LMORLIXSHJOTAA-HSZRJFAPSA-N 1 0 385.467 4.099 20 30 GIEDRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3sccc3C#N)ccc2c1 ZINC000026301304 820079870 /nfs/dbraw/zinc/07/98/70/820079870.db2.gz KINXWQBEUQRKRD-UHFFFAOYSA-N 1 0 379.485 4.242 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc2c(c1)CCCC2 ZINC000027056697 820186425 /nfs/dbraw/zinc/18/64/25/820186425.db2.gz LNYCZSQREACOCU-UHFFFAOYSA-O 1 0 393.576 4.280 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000027072745 820189427 /nfs/dbraw/zinc/18/94/27/820189427.db2.gz JDUBSGIMUANFCF-FQEVSTJZSA-O 1 0 397.564 4.113 20 30 GIEDRO N#CC1(CCCN2CC[NH+](Cc3cccc4ccccc43)CC2)CCOCC1 ZINC000410315631 823460688 /nfs/dbraw/zinc/46/06/88/823460688.db2.gz JENBMVWCBHUNMV-UHFFFAOYSA-N 1 0 377.532 4.058 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(CCC)cc1 ZINC000027311526 820223675 /nfs/dbraw/zinc/22/36/75/820223675.db2.gz SYUSPQUJLXKUEM-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC ZINC000189630113 823462780 /nfs/dbraw/zinc/46/27/80/823462780.db2.gz ITFYIAJFUIPBII-VQIMIIECSA-N 1 0 387.442 4.223 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058859778 823463425 /nfs/dbraw/zinc/46/34/25/823463425.db2.gz FJKHPSACRQHJNN-QGZVFWFLSA-N 1 0 376.913 4.478 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027579780 820263352 /nfs/dbraw/zinc/26/33/52/820263352.db2.gz XSOCTAKNVKERNM-NRFANRHFSA-N 1 0 383.923 4.344 20 30 GIEDRO Cc1cc2cccnc2c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000123125213 823466671 /nfs/dbraw/zinc/46/66/71/823466671.db2.gz QSAMNKBITLETQY-UHFFFAOYSA-N 1 0 387.487 4.011 20 30 GIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000027762405 820283737 /nfs/dbraw/zinc/28/37/37/820283737.db2.gz QSCYIOAVCKAYLL-QGZVFWFLSA-N 1 0 379.529 4.314 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573261418 823472470 /nfs/dbraw/zinc/47/24/70/823472470.db2.gz BDTFXUPBAFQEBO-QHCPKHFHSA-N 1 0 390.531 4.002 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000028776912 820356738 /nfs/dbraw/zinc/35/67/38/820356738.db2.gz ANEDJXYZECYGQC-UHFFFAOYSA-O 1 0 396.580 4.052 20 30 GIEDRO C[C@H]1CCN(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)c2ccccc2S1 ZINC000029393138 820448953 /nfs/dbraw/zinc/44/89/53/820448953.db2.gz CRYAIFUVBGLHOB-IBGZPJMESA-N 1 0 389.544 4.482 20 30 GIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)CCOc1ccc(Br)cc1 ZINC000410381957 823481920 /nfs/dbraw/zinc/48/19/20/823481920.db2.gz NAEWJUMISBSVCT-UHFFFAOYSA-N 1 0 395.341 4.250 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(CN4CCc5ccccc54)cc3)n2c1 ZINC000123243000 823484317 /nfs/dbraw/zinc/48/43/17/823484317.db2.gz FUSZMXBAYPURMV-UHFFFAOYSA-N 1 0 393.494 4.058 20 30 GIEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000029712117 820503817 /nfs/dbraw/zinc/50/38/17/820503817.db2.gz IMOFHPYRSUWDCU-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000177687566 823513759 /nfs/dbraw/zinc/51/37/59/823513759.db2.gz KGPYEXQGTGCGNP-UHFFFAOYSA-N 1 0 391.334 4.220 20 30 GIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460795504 823514548 /nfs/dbraw/zinc/51/45/48/823514548.db2.gz QNCQAPRWGAOHHK-UHFFFAOYSA-N 1 0 383.540 4.186 20 30 GIEDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000411388723 823568687 /nfs/dbraw/zinc/56/86/87/823568687.db2.gz OPBVJRQEOUOXGN-GOSISDBHSA-N 1 0 376.913 4.220 20 30 GIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000060330088 823515861 /nfs/dbraw/zinc/51/58/61/823515861.db2.gz JLQPFZYSWQGLNT-UHFFFAOYSA-N 1 0 387.405 4.428 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000177821331 823530829 /nfs/dbraw/zinc/53/08/29/823530829.db2.gz VJJWXMMVSIPRFP-MRXNPFEDSA-N 1 0 381.501 4.099 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000177821999 823531057 /nfs/dbraw/zinc/53/10/57/823531057.db2.gz FURZTXXTEYJXRD-MRXNPFEDSA-N 1 0 381.501 4.099 20 30 GIEDRO CCCOc1cccc(CNC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000060469448 823531736 /nfs/dbraw/zinc/53/17/36/823531736.db2.gz GUXSQJSPFVHBRE-GOSISDBHSA-N 1 0 379.504 4.046 20 30 GIEDRO CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000060477512 823532647 /nfs/dbraw/zinc/53/26/47/823532647.db2.gz SAAHKYJHLPGADE-WZONZLPQSA-N 1 0 375.516 4.477 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000042510147 821309393 /nfs/dbraw/zinc/30/93/93/821309393.db2.gz UDZBQDGUOOVOFG-PGRDOPGGSA-N 1 0 379.504 4.317 20 30 GIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633633 821316626 /nfs/dbraw/zinc/31/66/26/821316626.db2.gz LTWAPDMHQLSFNY-QGZVFWFLSA-N 1 0 395.478 4.046 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(OC)cc2OC)ccc1OC ZINC000180811679 821472941 /nfs/dbraw/zinc/47/29/41/821472941.db2.gz ZQDHFPQYXYWFSI-WBVHZDCISA-N 1 0 384.476 4.244 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813019 821473647 /nfs/dbraw/zinc/47/36/47/821473647.db2.gz SHXGEAKUAXLARY-UWJYYQICSA-N 1 0 390.487 4.413 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813069 821473796 /nfs/dbraw/zinc/47/37/96/821473796.db2.gz SHXGEAKUAXLARY-DYESRHJHSA-N 1 0 390.487 4.413 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)ccc1OC ZINC000180813232 821474430 /nfs/dbraw/zinc/47/44/30/821474430.db2.gz PTLZRCNNMFQVJQ-VXKWHMMOSA-N 1 0 393.531 4.130 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)ccc1OC ZINC000180814062 821475164 /nfs/dbraw/zinc/47/51/64/821475164.db2.gz ALTWFPYXBZWCFG-CRAIPNDOSA-N 1 0 385.483 4.432 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814456 821475193 /nfs/dbraw/zinc/47/51/93/821475193.db2.gz KMGUWGFLYDVCPM-OALUTQOASA-N 1 0 396.487 4.388 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815448 821475762 /nfs/dbraw/zinc/47/57/62/821475762.db2.gz QGJKBUUFBXSCHM-DOTOQJQBSA-N 1 0 384.476 4.244 20 30 GIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000180886725 821514508 /nfs/dbraw/zinc/51/45/08/821514508.db2.gz NEIHYDQRGDDKST-UHFFFAOYSA-N 1 0 389.503 4.326 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)ccc1OC ZINC000180973925 821566920 /nfs/dbraw/zinc/56/69/20/821566920.db2.gz MQXYOVKKCLESPZ-GOSISDBHSA-N 1 0 388.895 4.010 20 30 GIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000181139882 821659040 /nfs/dbraw/zinc/65/90/40/821659040.db2.gz MMWSNDZMYWNLBS-RPWUZVMVSA-N 1 0 390.458 4.313 20 30 GIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4sccc4C#N)C3)nc2c1 ZINC000181147321 821663281 /nfs/dbraw/zinc/66/32/81/821663281.db2.gz UTVLWRDPKFCARQ-MRXNPFEDSA-N 1 0 393.516 4.013 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(Br)c1 ZINC000181170207 821677234 /nfs/dbraw/zinc/67/72/34/821677234.db2.gz KQJULCIHBAPDEP-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCC(C)C)C2CC2)c1C#N ZINC000044898494 821678260 /nfs/dbraw/zinc/67/82/60/821678260.db2.gz DSKISICYVOVHMU-UHFFFAOYSA-N 1 0 382.508 4.067 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000181394549 821804523 /nfs/dbraw/zinc/80/45/23/821804523.db2.gz PMVOSWJIIMLMNB-CABCVRRESA-N 1 0 399.491 4.243 20 30 GIEDRO CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000181401604 821808187 /nfs/dbraw/zinc/80/81/87/821808187.db2.gz YJFWUZRWRIZFEY-HSZRJFAPSA-N 1 0 396.966 4.069 20 30 GIEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000181407763 821809853 /nfs/dbraw/zinc/80/98/53/821809853.db2.gz ZMCVWHYISLHAAQ-FDDCHVKYSA-N 1 0 379.504 4.085 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000181408016 821810099 /nfs/dbraw/zinc/81/00/99/821810099.db2.gz IKIOTLUWZWTCTL-UHFFFAOYSA-N 1 0 387.449 4.374 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Oc4ccccc4)nc3)CC2)cc1 ZINC000181641805 821919121 /nfs/dbraw/zinc/91/91/21/821919121.db2.gz IJCGZBOMYLCSBU-UHFFFAOYSA-N 1 0 398.510 4.500 20 30 GIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805929 822000294 /nfs/dbraw/zinc/00/02/94/822000294.db2.gz ZTQUNYBFUCOKRP-SCLBCKFNSA-N 1 0 383.517 4.185 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181805298 822000350 /nfs/dbraw/zinc/00/03/50/822000350.db2.gz WNUIGXDQMCZANF-UHFFFAOYSA-N 1 0 389.499 4.299 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000181828518 822009676 /nfs/dbraw/zinc/00/96/76/822009676.db2.gz VFEFFKIWAJTMFL-UHFFFAOYSA-N 1 0 392.934 4.490 20 30 GIEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)cc2)c1 ZINC000182067331 822080157 /nfs/dbraw/zinc/08/01/57/822080157.db2.gz USBZWTSDFQUXIA-HOYKHHGWSA-N 1 0 391.515 4.033 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)cc1Br ZINC000182070248 822081131 /nfs/dbraw/zinc/08/11/31/822081131.db2.gz HOOMKESMVQNRTE-GFCCVEGCSA-N 1 0 375.266 4.189 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)cc1Br ZINC000182070232 822081182 /nfs/dbraw/zinc/08/11/82/822081182.db2.gz HOOMKESMVQNRTE-LBPRGKRZSA-N 1 0 375.266 4.189 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072084 822082277 /nfs/dbraw/zinc/08/22/77/822082277.db2.gz RNISKTXDLDZJAP-RDGATRHJSA-N 1 0 389.543 4.280 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000182514423 822277530 /nfs/dbraw/zinc/27/75/30/822277530.db2.gz ZMKDUKSPIHPYJG-HNNXBMFYSA-N 1 0 391.393 4.183 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557883 822301308 /nfs/dbraw/zinc/30/13/08/822301308.db2.gz BZIFYCSBOTXIEI-QGZVFWFLSA-N 1 0 398.466 4.100 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561201 822302988 /nfs/dbraw/zinc/30/29/88/822302988.db2.gz KCLWJJBWPIJCRK-SFHVURJKSA-N 1 0 379.504 4.014 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC000178115081 822324741 /nfs/dbraw/zinc/32/47/41/822324741.db2.gz YCJBOOZWCJUMKY-UHFFFAOYSA-N 1 0 394.544 4.084 20 30 GIEDRO COCCOc1c(Cl)cccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182772059 822365099 /nfs/dbraw/zinc/36/50/99/822365099.db2.gz HFMMMXMXRJDIOK-UHFFFAOYSA-N 1 0 399.922 4.313 20 30 GIEDRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045150042 822366036 /nfs/dbraw/zinc/36/60/36/822366036.db2.gz JQBHXHVWXOYDLJ-QFIPXVFZSA-N 1 0 378.520 4.029 20 30 GIEDRO N#CCCCOc1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453578912 822387572 /nfs/dbraw/zinc/38/75/72/822387572.db2.gz VOKXSUJIGFFSSA-UHFFFAOYSA-N 1 0 376.500 4.433 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178533676 822388912 /nfs/dbraw/zinc/38/89/12/822388912.db2.gz YSPCNZHDNYXTTC-GMAHTHKFSA-N 1 0 388.515 4.385 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000178579715 822393588 /nfs/dbraw/zinc/39/35/88/822393588.db2.gz BCKLGECUODLCHO-KXBFYZLASA-N 1 0 377.529 4.052 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000045697129 822406109 /nfs/dbraw/zinc/40/61/09/822406109.db2.gz OKBLKZWMEZVTII-UHFFFAOYSA-N 1 0 390.512 4.376 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000045788012 822413753 /nfs/dbraw/zinc/41/37/53/822413753.db2.gz FOTWWTZLVYKRCQ-IBGZPJMESA-N 1 0 390.531 4.132 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110183 822425785 /nfs/dbraw/zinc/42/57/85/822425785.db2.gz QLYAUQPJLIEXCQ-KOSHJBKYSA-N 1 0 396.494 4.466 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000179036720 822432046 /nfs/dbraw/zinc/43/20/46/822432046.db2.gz VUDOFHPXOJBBCV-XMDBHEJHSA-N 1 0 387.886 4.305 20 30 GIEDRO C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CCCCC1 ZINC000454359784 822461721 /nfs/dbraw/zinc/46/17/21/822461721.db2.gz HLFBFVTWFQRVIW-RXVVDRJESA-N 1 0 382.552 4.333 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000454386988 822466935 /nfs/dbraw/zinc/46/69/35/822466935.db2.gz QMCGMNGXSDWRCA-LJQANCHMSA-N 1 0 381.545 4.142 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000179372453 822472873 /nfs/dbraw/zinc/47/28/73/822472873.db2.gz OFRWBAWOKFNKKB-CVEARBPZSA-N 1 0 385.533 4.360 20 30 GIEDRO CC[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463866 822486582 /nfs/dbraw/zinc/48/65/82/822486582.db2.gz RTGRYQPHQHMPBY-GOSISDBHSA-N 1 0 391.515 4.046 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183563775 822495334 /nfs/dbraw/zinc/49/53/34/822495334.db2.gz FCRCWHUTRVFSJP-KRWDZBQOSA-N 1 0 392.528 4.440 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000183735444 822519030 /nfs/dbraw/zinc/51/90/30/822519030.db2.gz OLGNJLKDJASUQW-AWEZNQCLSA-N 1 0 376.485 4.280 20 30 GIEDRO C=CCC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000454711973 822522012 /nfs/dbraw/zinc/52/20/12/822522012.db2.gz RHYITCSMRJMNRW-NJAFHUGGSA-N 1 0 381.442 4.058 20 30 GIEDRO C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454725000 822523945 /nfs/dbraw/zinc/52/39/45/822523945.db2.gz UUMHOIMWKRJCER-NZQKXSOJSA-N 1 0 390.531 4.195 20 30 GIEDRO CC1CC[NH+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000046956055 822533922 /nfs/dbraw/zinc/53/39/22/822533922.db2.gz VTQKSRNVGRKBKD-UHFFFAOYSA-N 1 0 379.529 4.171 20 30 GIEDRO CSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047054234 822540965 /nfs/dbraw/zinc/54/09/65/822540965.db2.gz SZEBEVTVNOAZAT-QGZVFWFLSA-N 1 0 396.560 4.115 20 30 GIEDRO CC1CC[NH+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000047198960 822553804 /nfs/dbraw/zinc/55/38/04/822553804.db2.gz PRNNBAYFEASVSJ-UHFFFAOYSA-N 1 0 375.516 4.467 20 30 GIEDRO COc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1OCCCC#N ZINC000179804770 822556436 /nfs/dbraw/zinc/55/64/36/822556436.db2.gz GFRVBZWIQOBXEO-UHFFFAOYSA-N 1 0 378.472 4.373 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2)CC1 ZINC000179884241 822571426 /nfs/dbraw/zinc/57/14/26/822571426.db2.gz YWOVHRPVDSAGLS-OAQYLSRUSA-N 1 0 393.918 4.462 20 30 GIEDRO Cn1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893740 822572683 /nfs/dbraw/zinc/57/26/83/822572683.db2.gz QOCRYSMXISBDKD-UHFFFAOYSA-N 1 0 386.499 4.140 20 30 GIEDRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(OCC#N)cc1 ZINC000184097260 822577394 /nfs/dbraw/zinc/57/73/94/822577394.db2.gz VETLONPKGUOHAD-OAHLLOKOSA-N 1 0 380.423 4.061 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180018538 822597660 /nfs/dbraw/zinc/59/76/60/822597660.db2.gz VGXGPZVKVDEDJW-SFHVURJKSA-N 1 0 392.503 4.106 20 30 GIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028688 822600373 /nfs/dbraw/zinc/60/03/73/822600373.db2.gz XUNSOPCAXWMIJG-QRWLVFNGSA-N 1 0 377.488 4.448 20 30 GIEDRO CC(=O)Nc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000047703075 822601154 /nfs/dbraw/zinc/60/11/54/822601154.db2.gz YWJMHIKSZJPZFT-UHFFFAOYSA-N 1 0 385.467 4.385 20 30 GIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180034577 822601824 /nfs/dbraw/zinc/60/18/24/822601824.db2.gz RUODHLWZVCDFHA-OAQYLSRUSA-N 1 0 377.488 4.049 20 30 GIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034727 822601849 /nfs/dbraw/zinc/60/18/49/822601849.db2.gz QFXZSEZQMCCJFT-UHFFFAOYSA-N 1 0 396.498 4.051 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000180037551 822602205 /nfs/dbraw/zinc/60/22/05/822602205.db2.gz ACWVJVLAZJAJBL-IAGOWNOFSA-N 1 0 380.492 4.228 20 30 GIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000180038751 822602398 /nfs/dbraw/zinc/60/23/98/822602398.db2.gz DOCQRTQVGKPGPH-WIYYLYMNSA-N 1 0 392.503 4.245 20 30 GIEDRO N#CC1(c2ccc(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)cc2)CC1 ZINC000180064074 822607142 /nfs/dbraw/zinc/60/71/42/822607142.db2.gz MPECIUUABRPNTL-UHFFFAOYSA-N 1 0 391.540 4.085 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000184310817 822612388 /nfs/dbraw/zinc/61/23/88/822612388.db2.gz JKJBVMZECAAWCX-LJQANCHMSA-N 1 0 394.519 4.006 20 30 GIEDRO FC(F)(F)CCN1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000180179155 822633390 /nfs/dbraw/zinc/63/33/90/822633390.db2.gz GREGMVVYCOFAPB-UHFFFAOYSA-N 1 0 378.360 4.063 20 30 GIEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000184446403 822636626 /nfs/dbraw/zinc/63/66/26/822636626.db2.gz MRDHVMLAYWTKPQ-UHFFFAOYSA-N 1 0 382.439 4.048 20 30 GIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000180223074 822642473 /nfs/dbraw/zinc/64/24/73/822642473.db2.gz XLAOGAVHTMSGBX-IBGZPJMESA-N 1 0 391.544 4.487 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180237682 822645837 /nfs/dbraw/zinc/64/58/37/822645837.db2.gz LVUBOAIXXMLASD-UHFFFAOYSA-N 1 0 387.527 4.226 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000184541073 822654016 /nfs/dbraw/zinc/65/40/16/822654016.db2.gz UGGPYTAUQBKYPH-INIZCTEOSA-N 1 0 396.560 4.420 20 30 GIEDRO N#Cc1ccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000455468138 822660411 /nfs/dbraw/zinc/66/04/11/822660411.db2.gz NGEWEBIXMGVLBW-UHFFFAOYSA-N 1 0 392.478 4.217 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccccc2N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180371172 822671371 /nfs/dbraw/zinc/67/13/71/822671371.db2.gz AYZLUDKMEIPETI-UHFFFAOYSA-N 1 0 385.515 4.239 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000455696287 822704904 /nfs/dbraw/zinc/70/49/04/822704904.db2.gz BZFGPNCUDXYVSB-YJBOKZPZSA-N 1 0 382.895 4.191 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050059408 822716634 /nfs/dbraw/zinc/71/66/34/822716634.db2.gz UDPSPHZWKJNTMT-KRWDZBQOSA-N 1 0 398.532 4.052 20 30 GIEDRO C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456001148 822764772 /nfs/dbraw/zinc/76/47/72/822764772.db2.gz UPSNJFAMDLRCAT-XXBNENTESA-N 1 0 389.543 4.154 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358866 822777593 /nfs/dbraw/zinc/77/75/93/822777593.db2.gz BJUJMSMQBDDCGA-AUUYWEPGSA-N 1 0 385.414 4.006 20 30 GIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1O ZINC000174372595 822779870 /nfs/dbraw/zinc/77/98/70/822779870.db2.gz XYXKMPXWCZKCAG-UHFFFAOYSA-N 1 0 379.504 4.168 20 30 GIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(Br)cc3C#N)ccc21 ZINC000456304266 822796292 /nfs/dbraw/zinc/79/62/92/822796292.db2.gz HNOQWELFXPPOAO-SFHVURJKSA-N 1 0 384.277 4.122 20 30 GIEDRO C[C@@H](NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1)c1ccccc1 ZINC000185580654 822798715 /nfs/dbraw/zinc/79/87/15/822798715.db2.gz YQNYEOSFBSKJOD-QGZVFWFLSA-O 1 0 386.500 4.135 20 30 GIEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185581047 822798878 /nfs/dbraw/zinc/79/88/78/822798878.db2.gz GZLUBXRITUZOOC-UHFFFAOYSA-O 1 0 394.564 4.470 20 30 GIEDRO C[C@@H](NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1)c1cccs1 ZINC000185583407 822799189 /nfs/dbraw/zinc/79/91/89/822799189.db2.gz YKPOFXUVJVTCLU-OAHLLOKOSA-O 1 0 392.529 4.197 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1Cl ZINC000052485620 822801158 /nfs/dbraw/zinc/80/11/58/822801158.db2.gz DKCBWNCNQISOGI-UHFFFAOYSA-N 1 0 376.957 4.438 20 30 GIEDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000174543293 822803290 /nfs/dbraw/zinc/80/32/90/822803290.db2.gz QGIYDQTTXYNYPV-KRWDZBQOSA-N 1 0 388.515 4.208 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000174564819 822805577 /nfs/dbraw/zinc/80/55/77/822805577.db2.gz MIVBODOQIGYDPS-YVWKXTFCSA-N 1 0 387.524 4.151 20 30 GIEDRO C=C(C)Cn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000185695470 822810930 /nfs/dbraw/zinc/81/09/30/822810930.db2.gz YNLNTPWXCXLZBL-UHFFFAOYSA-N 1 0 397.523 4.279 20 30 GIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174612626 822812550 /nfs/dbraw/zinc/81/25/50/822812550.db2.gz NBJAFDQCCLLOKB-UHFFFAOYSA-N 1 0 386.455 4.368 20 30 GIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C12CCCC2 ZINC000174654020 822818441 /nfs/dbraw/zinc/81/84/41/822818441.db2.gz RFKIZMFMVYYHIQ-RTWAWAEBSA-N 1 0 378.520 4.291 20 30 GIEDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1C ZINC000053016296 822818713 /nfs/dbraw/zinc/81/87/13/822818713.db2.gz NIKPRNOWWGBMIZ-UHFFFAOYSA-N 1 0 377.488 4.047 20 30 GIEDRO CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783796 822836674 /nfs/dbraw/zinc/83/66/74/822836674.db2.gz KWJXSWXARZJLTQ-VXKWHMMOSA-N 1 0 382.529 4.013 20 30 GIEDRO C[N@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1sccc1C#N ZINC000053741362 822846758 /nfs/dbraw/zinc/84/67/58/822846758.db2.gz XCLDVAKLTDXREM-UHFFFAOYSA-N 1 0 377.897 4.003 20 30 GIEDRO CC(C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054000719 822856562 /nfs/dbraw/zinc/85/65/62/822856562.db2.gz GQKLNTQTWSTDNN-HSZRJFAPSA-N 1 0 390.531 4.173 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCC(=O)NC3CCCCC3)c2)c1 ZINC000054203392 822868384 /nfs/dbraw/zinc/86/83/84/822868384.db2.gz DJQLOBWBEVQEHF-UHFFFAOYSA-N 1 0 391.515 4.066 20 30 GIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000186288515 822871363 /nfs/dbraw/zinc/87/13/63/822871363.db2.gz XRGPLUGMWTZMKY-GOSISDBHSA-N 1 0 380.467 4.040 20 30 GIEDRO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000457608093 822897048 /nfs/dbraw/zinc/89/70/48/822897048.db2.gz JKFVOPDQSVMEHV-UHFFFAOYSA-N 1 0 378.520 4.106 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000175286701 822924941 /nfs/dbraw/zinc/92/49/41/822924941.db2.gz VNLDVNALAGVRAK-NRFANRHFSA-N 1 0 393.556 4.021 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 ZINC000055014574 822931463 /nfs/dbraw/zinc/93/14/63/822931463.db2.gz QVXNHWNQSDWGPO-UHFFFAOYSA-O 1 0 384.569 4.125 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000186692002 822938264 /nfs/dbraw/zinc/93/82/64/822938264.db2.gz BLTDOTDDHWIXDQ-DGCLKSJQSA-N 1 0 381.339 4.469 20 30 GIEDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000186749303 822949283 /nfs/dbraw/zinc/94/92/83/822949283.db2.gz GUAALSVWLHSFGI-UHFFFAOYSA-N 1 0 379.529 4.017 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(CC)CC)cc1 ZINC000186951878 822985603 /nfs/dbraw/zinc/98/56/03/822985603.db2.gz GYAODNQXZNHQIN-UHFFFAOYSA-O 1 0 386.541 4.197 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000569953150 822989448 /nfs/dbraw/zinc/98/94/48/822989448.db2.gz CWYBUVYJWPMANU-ZWKOTPCHSA-N 1 0 383.517 4.126 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000569953147 822989464 /nfs/dbraw/zinc/98/94/64/822989464.db2.gz CWYBUVYJWPMANU-QZTJIDSGSA-N 1 0 383.517 4.126 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NC(C)(C)CC)cc1 ZINC000186981650 822991810 /nfs/dbraw/zinc/99/18/10/822991810.db2.gz QLSDABNQGZCXQU-UHFFFAOYSA-O 1 0 380.537 4.125 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175618082 823007658 /nfs/dbraw/zinc/00/76/58/823007658.db2.gz WPWLZPVFEGVKBM-IBGZPJMESA-N 1 0 392.503 4.465 20 30 GIEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570203897 823015086 /nfs/dbraw/zinc/01/50/86/823015086.db2.gz NNOWNQWBCHQLEO-RXVVDRJESA-N 1 0 391.519 4.213 20 30 GIEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000570203895 823015100 /nfs/dbraw/zinc/01/51/00/823015100.db2.gz NNOWNQWBCHQLEO-NQIIRXRSSA-N 1 0 391.519 4.213 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000570242260 823018091 /nfs/dbraw/zinc/01/80/91/823018091.db2.gz ZZBDKSCBHVWXLK-UHFFFAOYSA-N 1 0 378.432 4.091 20 30 GIEDRO C=CCOc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000123934107 823553106 /nfs/dbraw/zinc/55/31/06/823553106.db2.gz VGPIZAURHUQJMK-UHFFFAOYSA-N 1 0 381.501 4.111 20 30 GIEDRO Cc1ccc(Br)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000190294908 823560010 /nfs/dbraw/zinc/56/00/10/823560010.db2.gz GATYASQLQUOLQD-UHFFFAOYSA-N 1 0 395.304 4.320 20 30 GIEDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411413255 823571437 /nfs/dbraw/zinc/57/14/37/823571437.db2.gz CVIUZFHIRPHMHK-GJZGRUSLSA-N 1 0 382.533 4.161 20 30 GIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000411447800 823575432 /nfs/dbraw/zinc/57/54/32/823575432.db2.gz KBCMSWWLPWHQKN-ZWKOTPCHSA-N 1 0 385.414 4.006 20 30 GIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000124228660 823579231 /nfs/dbraw/zinc/57/92/31/823579231.db2.gz QPUYJVQJVIULBB-JOCHJYFZSA-N 1 0 389.543 4.241 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(F)c1F ZINC000411480066 823579818 /nfs/dbraw/zinc/57/98/18/823579818.db2.gz HJRMUQXZDKWOEV-NSHDSACASA-N 1 0 375.444 4.066 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124239014 823580129 /nfs/dbraw/zinc/58/01/29/823580129.db2.gz AYVJESCRQHQRJC-SFHVURJKSA-N 1 0 378.303 4.166 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(Br)s1 ZINC000411604830 823590273 /nfs/dbraw/zinc/59/02/73/823590273.db2.gz OZFUHEQFBAIYDY-NSHDSACASA-N 1 0 378.295 4.062 20 30 GIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCSc4ccc(Cl)cc43)C2=O)cc1 ZINC000190617114 823592124 /nfs/dbraw/zinc/59/21/24/823592124.db2.gz SVWKAFURXPXRTQ-OALUTQOASA-N 1 0 397.931 4.139 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623206 823592744 /nfs/dbraw/zinc/59/27/44/823592744.db2.gz IHNAACNWVRRQQH-KXBFYZLASA-N 1 0 375.497 4.225 20 30 GIEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000461210693 823599206 /nfs/dbraw/zinc/59/92/06/823599206.db2.gz HTTADMPDXSDKAT-UHFFFAOYSA-N 1 0 395.478 4.341 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375532 823630718 /nfs/dbraw/zinc/63/07/18/823630718.db2.gz GRSNGWGYCMXIBV-UHFFFAOYSA-N 1 0 391.302 4.461 20 30 GIEDRO CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461427033 823634469 /nfs/dbraw/zinc/63/44/69/823634469.db2.gz GCICCIFAAGASIM-FCHUYYIVSA-N 1 0 387.527 4.082 20 30 GIEDRO N#Cc1ccc(C2=CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)cc1 ZINC000412220496 823636740 /nfs/dbraw/zinc/63/67/40/823636740.db2.gz CTJNSKOPHUQNQI-UHFFFAOYSA-N 1 0 385.511 4.474 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242280 823662587 /nfs/dbraw/zinc/66/25/87/823662587.db2.gz JEBGAILLDMBPIE-UHFFFAOYSA-N 1 0 381.423 4.403 20 30 GIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1OC ZINC000191367649 823677302 /nfs/dbraw/zinc/67/73/02/823677302.db2.gz ANYHNPMCROFAQN-KFKAGJAMSA-N 1 0 389.565 4.203 20 30 GIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1OC ZINC000191391830 823679762 /nfs/dbraw/zinc/67/97/62/823679762.db2.gz HAEJOQGMNAORIO-IPELMVKDSA-N 1 0 389.565 4.060 20 30 GIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680058 823688971 /nfs/dbraw/zinc/68/89/71/823688971.db2.gz RYZMAUZEIFVYSC-LJQANCHMSA-N 1 0 391.515 4.018 20 30 GIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679422 823689014 /nfs/dbraw/zinc/68/90/14/823689014.db2.gz MQOKIRVNNRPOPW-LJQANCHMSA-N 1 0 391.515 4.018 20 30 GIEDRO Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)cc1C#N ZINC000461787737 823695299 /nfs/dbraw/zinc/69/52/99/823695299.db2.gz VCVZOQMDVMXZNL-GJZGRUSLSA-N 1 0 384.911 4.136 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799506 823697975 /nfs/dbraw/zinc/69/79/75/823697975.db2.gz JOQWVMQYEGBXEX-UHFFFAOYSA-N 1 0 390.531 4.276 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC1(C#N)CCCCC1 ZINC000412987555 823698090 /nfs/dbraw/zinc/69/80/90/823698090.db2.gz KIHGGRSWPWVLAB-UHFFFAOYSA-N 1 0 387.597 4.449 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000191662885 823726911 /nfs/dbraw/zinc/72/69/11/823726911.db2.gz WHIYQYUBBQTPFL-KRWDZBQOSA-N 1 0 376.426 4.369 20 30 GIEDRO C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461906414 823747951 /nfs/dbraw/zinc/74/79/51/823747951.db2.gz GZJWXRAREWQWKY-HRAATJIYSA-N 1 0 381.907 4.268 20 30 GIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506607 823750951 /nfs/dbraw/zinc/75/09/51/823750951.db2.gz PHNWUQCSOPRDSH-ORYQWCPZSA-N 1 0 397.906 4.091 20 30 GIEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000461946825 823768187 /nfs/dbraw/zinc/76/81/87/823768187.db2.gz HWGGQMUEIZSQNB-PKTZIBPZSA-N 1 0 390.531 4.022 20 30 GIEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1 ZINC000574570124 823769604 /nfs/dbraw/zinc/76/96/04/823769604.db2.gz GSJGHNFVXAKDAA-QFIPXVFZSA-N 1 0 396.579 4.185 20 30 GIEDRO C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825107 823785635 /nfs/dbraw/zinc/78/56/35/823785635.db2.gz ZWSGOAGSFINVCT-ZBFHGGJFSA-N 1 0 376.342 4.063 20 30 GIEDRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000462036437 823806010 /nfs/dbraw/zinc/80/60/10/823806010.db2.gz OMCBXOOFXYDDRB-KRWDZBQOSA-N 1 0 395.503 4.030 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000126234756 823817619 /nfs/dbraw/zinc/81/76/19/823817619.db2.gz CMCUHMZZWQXEAG-CVEARBPZSA-N 1 0 385.895 4.335 20 30 GIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000164900191 823824656 /nfs/dbraw/zinc/82/46/56/823824656.db2.gz FFJRUHALCKAHRM-UHFFFAOYSA-N 1 0 392.528 4.221 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000574782185 823825298 /nfs/dbraw/zinc/82/52/98/823825298.db2.gz VRJIXMNJNMUIFL-SQGPQFPESA-N 1 0 394.906 4.069 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000192052126 823844989 /nfs/dbraw/zinc/84/49/89/823844989.db2.gz NSLQYOGZVYCQNM-ZLGUVYLKSA-N 1 0 397.906 4.095 20 30 GIEDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000064631953 823855355 /nfs/dbraw/zinc/85/53/55/823855355.db2.gz GELHOYLAIIZMNA-UHFFFAOYSA-N 1 0 383.517 4.109 20 30 GIEDRO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc(C#N)c1 ZINC000462180554 823857383 /nfs/dbraw/zinc/85/73/83/823857383.db2.gz MUAXICRNWNCWDE-NLFFAJNJSA-N 1 0 387.527 4.176 20 30 GIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000126449968 823870833 /nfs/dbraw/zinc/87/08/33/823870833.db2.gz TXVLKVIAXWNLIU-RUZDIDTESA-N 1 0 396.494 4.175 20 30 GIEDRO C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462232561 823886040 /nfs/dbraw/zinc/88/60/40/823886040.db2.gz MOJLRPHWVZDAKY-CNNODRBYSA-N 1 0 375.516 4.079 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCCC3)cc2)c1 ZINC000170905739 824003569 /nfs/dbraw/zinc/00/35/69/824003569.db2.gz KWAIVCMKARNFFW-UHFFFAOYSA-N 1 0 382.508 4.011 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000170909120 824004014 /nfs/dbraw/zinc/00/40/14/824004014.db2.gz RQLATWHAAPTGAX-PGRDOPGGSA-N 1 0 397.519 4.379 20 30 GIEDRO N#CCc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000170945033 824010520 /nfs/dbraw/zinc/01/05/20/824010520.db2.gz PGNLNBIQYVGSCC-UHFFFAOYSA-N 1 0 381.907 4.048 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc(OC)c1O ZINC000414562590 824013702 /nfs/dbraw/zinc/01/37/02/824013702.db2.gz UAFJNXPBZRKWID-HSZRJFAPSA-N 1 0 379.500 4.483 20 30 GIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000127091843 824015381 /nfs/dbraw/zinc/01/53/81/824015381.db2.gz DVCKWLQKHMSEGJ-DEOSSOPVSA-N 1 0 390.527 4.385 20 30 GIEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c1 ZINC000171022776 824040099 /nfs/dbraw/zinc/04/00/99/824040099.db2.gz FTZRAPVDHPKIHZ-UHFFFAOYSA-O 1 0 397.523 4.495 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000171027980 824042201 /nfs/dbraw/zinc/04/22/01/824042201.db2.gz HFUNILLSHRKXGG-UHFFFAOYSA-N 1 0 390.531 4.086 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000414904765 824048440 /nfs/dbraw/zinc/04/84/40/824048440.db2.gz NJELCQRPWQAFLP-LXGCGDOSSA-N 1 0 382.895 4.196 20 30 GIEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414905247 824048585 /nfs/dbraw/zinc/04/85/85/824048585.db2.gz NTXURZJHKBFJJV-RXVVDRJESA-N 1 0 384.911 4.490 20 30 GIEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414915335 824049428 /nfs/dbraw/zinc/04/94/28/824049428.db2.gz ZDHGRWMNPFWWNX-GMBSWORKSA-N 1 0 382.895 4.196 20 30 GIEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414959886 824054321 /nfs/dbraw/zinc/05/43/21/824054321.db2.gz GAOMTBFDSRFUMX-FZKQIMNGSA-N 1 0 384.867 4.123 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2Cl)cc1 ZINC000414964701 824054672 /nfs/dbraw/zinc/05/46/72/824054672.db2.gz MRLQRHPWMCVEGW-NRFANRHFSA-N 1 0 396.878 4.221 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C[NH3+])CC3)cc2Cl)cc1 ZINC000414965748 824054797 /nfs/dbraw/zinc/05/47/97/824054797.db2.gz NSLZFGVHRDGPRG-UHFFFAOYSA-N 1 0 384.867 4.207 20 30 GIEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414969768 824055632 /nfs/dbraw/zinc/05/56/32/824055632.db2.gz UATGFAMQBOPVDH-DZGCQCFKSA-N 1 0 384.867 4.205 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C#N)cc(Cl)n2)CC3)cs1 ZINC001164691206 719802740 /nfs/dbraw/zinc/80/27/40/719802740.db2.gz FTFBDDHGMLKAFZ-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)ncc2C#N)CC3)cs1 ZINC001164691059 719804577 /nfs/dbraw/zinc/80/45/77/719804577.db2.gz DLERKGDUUOWNST-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C1 ZINC001165035314 721899465 /nfs/dbraw/zinc/89/94/65/721899465.db2.gz APEFUABPPSZEHF-QGZVFWFLSA-N 1 0 390.865 4.349 20 30 GIEDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)C1 ZINC001165037198 721899604 /nfs/dbraw/zinc/89/96/04/721899604.db2.gz LDOBKXBKGQBUDQ-QGZVFWFLSA-N 1 0 390.865 4.349 20 30 GIEDRO Cc1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164993873 722192536 /nfs/dbraw/zinc/19/25/36/722192536.db2.gz IGBGPUISXXOGFU-OAQYLSRUSA-N 1 0 384.886 4.299 20 30 GIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccc(Cl)cc2)c1 ZINC000570563908 823055599 /nfs/dbraw/zinc/05/55/99/823055599.db2.gz GTCQHUPNQFSPTH-HEFCMCLBSA-N 1 0 388.920 4.115 20 30 GIEDRO CN(C(=O)c1cccc(SCC#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175945000 823078701 /nfs/dbraw/zinc/07/87/01/823078701.db2.gz WZMYXRHVUKRFTJ-UHFFFAOYSA-N 1 0 379.529 4.039 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000120895575 823083460 /nfs/dbraw/zinc/08/34/60/823083460.db2.gz JWZVFHFRJRYEIU-OAHLLOKOSA-N 1 0 379.342 4.099 20 30 GIEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458807678 823089466 /nfs/dbraw/zinc/08/94/66/823089466.db2.gz XYFDNWUCQXGFBL-JOCHJYFZSA-N 1 0 394.519 4.321 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153155 823090138 /nfs/dbraw/zinc/09/01/38/823090138.db2.gz QEEVUDQFUVWVMB-MOPGFXCFSA-N 1 0 391.515 4.179 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000176001188 823092589 /nfs/dbraw/zinc/09/25/89/823092589.db2.gz OJGIEFQSIYZXDM-GOSISDBHSA-N 1 0 379.529 4.039 20 30 GIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000570882220 823101503 /nfs/dbraw/zinc/10/15/03/823101503.db2.gz OLUBWGIVSOMLJX-UHFFFAOYSA-N 1 0 387.483 4.181 20 30 GIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000187666299 823109408 /nfs/dbraw/zinc/10/94/08/823109408.db2.gz LNJIZCJTPSIXKI-FUHWJXTLSA-N 1 0 380.467 4.292 20 30 GIEDRO C=C(CC)CNC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000459067147 823123062 /nfs/dbraw/zinc/12/30/62/823123062.db2.gz BCQPCUUGDJTHFD-UHFFFAOYSA-N 1 0 378.879 4.244 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302372 823162286 /nfs/dbraw/zinc/16/22/86/823162286.db2.gz LKQXXQQKAVYEEA-HTAPYJJXSA-N 1 0 382.479 4.232 20 30 GIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176343159 823187891 /nfs/dbraw/zinc/18/78/91/823187891.db2.gz NHDOXBWEHMZGAU-UHFFFAOYSA-N 1 0 392.450 4.078 20 30 GIEDRO C=CC[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000188222250 823205645 /nfs/dbraw/zinc/20/56/45/823205645.db2.gz UMJSBQPABVKQSV-IRLDBZIGSA-N 1 0 390.527 4.451 20 30 GIEDRO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000056764130 823209017 /nfs/dbraw/zinc/20/90/17/823209017.db2.gz VKYQVORFBBTORJ-GOSISDBHSA-N 1 0 376.504 4.469 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000056802240 823216120 /nfs/dbraw/zinc/21/61/20/823216120.db2.gz CVYVCDYTFNUSMQ-UHFFFAOYSA-N 1 0 392.503 4.005 20 30 GIEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787775 823234325 /nfs/dbraw/zinc/23/43/25/823234325.db2.gz CGUMBKFZQHFABP-RPWUZVMVSA-N 1 0 393.531 4.012 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000176555352 823236008 /nfs/dbraw/zinc/23/60/08/823236008.db2.gz MIQUMCNLJZXEOV-UHFFFAOYSA-N 1 0 384.455 4.317 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000176557385 823236659 /nfs/dbraw/zinc/23/66/59/823236659.db2.gz DSSLGVFNGSHYRP-UHFFFAOYSA-N 1 0 391.475 4.050 20 30 GIEDRO COc1ccccc1[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCCC1 ZINC000121783407 823250191 /nfs/dbraw/zinc/25/01/91/823250191.db2.gz HGFWLCHCGVJBJJ-SGSZHJQISA-N 1 0 375.472 4.205 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459771901 823262889 /nfs/dbraw/zinc/26/28/89/823262889.db2.gz UBTJFINWWLUCPU-MOPGFXCFSA-N 1 0 389.293 4.029 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188610553 823272574 /nfs/dbraw/zinc/27/25/74/823272574.db2.gz ORVXRXXQSNBGSH-IBGZPJMESA-N 1 0 379.548 4.093 20 30 GIEDRO N#CC1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000572202017 823299072 /nfs/dbraw/zinc/29/90/72/823299072.db2.gz RHEVWFYTRLSBKY-JQRIJJRESA-N 1 0 394.563 4.012 20 30 GIEDRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000572221869 823303794 /nfs/dbraw/zinc/30/37/94/823303794.db2.gz YVVJFTCEGYTWBI-AAEUAGOBSA-N 1 0 388.562 4.189 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261584 818025802 /nfs/dbraw/zinc/02/58/02/818025802.db2.gz GUMZUPQBLXGXNX-HNNXBMFYSA-N 1 0 396.541 4.438 20 30 GIEDRO O=C(c1ccc(F)cc1F)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000011170597 818058732 /nfs/dbraw/zinc/05/87/32/818058732.db2.gz TVWLVAPBVQESLJ-UHFFFAOYSA-O 1 0 387.406 4.442 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2Cl)cc1 ZINC000572344619 823325064 /nfs/dbraw/zinc/32/50/64/823325064.db2.gz FTQNRHFPGMWASN-HNAYVOBHSA-N 1 0 396.878 4.220 20 30 GIEDRO COc1ccc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)cc1 ZINC000015247852 818302647 /nfs/dbraw/zinc/30/26/47/818302647.db2.gz OPDPFZZCVUQJEN-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OCc1ccncc1 ZINC000176950800 823332561 /nfs/dbraw/zinc/33/25/61/823332561.db2.gz IASNSFRDYWPNFV-HNNXBMFYSA-N 1 0 379.485 4.453 20 30 GIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(C(F)F)c1C#N ZINC000572497389 823349909 /nfs/dbraw/zinc/34/99/09/823349909.db2.gz NTKCMQKSGLGCHC-UHFFFAOYSA-N 1 0 390.522 4.128 20 30 GIEDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000572565672 823361943 /nfs/dbraw/zinc/36/19/43/823361943.db2.gz CXTSWHVZXIEYNZ-FXAWDEMLSA-N 1 0 395.469 4.061 20 30 GIEDRO CCOc1ccc(CCC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000022134780 818775394 /nfs/dbraw/zinc/77/53/94/818775394.db2.gz GMRNUDHQDPXWHY-DVECYGJZSA-N 1 0 399.579 4.173 20 30 GIEDRO COc1cccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[NH+](C)C)c1 ZINC000022683852 818842754 /nfs/dbraw/zinc/84/27/54/818842754.db2.gz ASPMUWKAXUFOKE-DEOSSOPVSA-N 1 0 399.494 4.267 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)c(C)s1 ZINC000022688989 818844948 /nfs/dbraw/zinc/84/49/48/818844948.db2.gz JVZNZOYQOWTZEB-UHFFFAOYSA-O 1 0 385.578 4.222 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460375107 823368380 /nfs/dbraw/zinc/36/83/80/823368380.db2.gz XJKWCZBTUJMOLP-SFHVURJKSA-N 1 0 383.515 4.115 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022733986 818852474 /nfs/dbraw/zinc/85/24/74/818852474.db2.gz OOUTVRDZEDZKNG-UHFFFAOYSA-O 1 0 394.347 4.318 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022733602 818852674 /nfs/dbraw/zinc/85/26/74/818852674.db2.gz XSBMVWHNYFSLFM-UHFFFAOYSA-O 1 0 395.935 4.377 20 30 GIEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460384787 823371414 /nfs/dbraw/zinc/37/14/14/823371414.db2.gz DBTRMAKMKXBHMH-UHFFFAOYSA-N 1 0 391.519 4.215 20 30 GIEDRO C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460396271 823375603 /nfs/dbraw/zinc/37/56/03/823375603.db2.gz XPYYJWOWMBLDBM-UHFFFAOYSA-N 1 0 393.457 4.072 20 30 GIEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)O[C@H](C)C2 ZINC000572651839 823375709 /nfs/dbraw/zinc/37/57/09/823375709.db2.gz VCSFSJILCKOFPU-GFCCVEGCSA-N 1 0 376.378 4.199 20 30 GIEDRO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122633635 823384875 /nfs/dbraw/zinc/38/48/75/823384875.db2.gz VMOBQDKTYMEHAH-IBGZPJMESA-N 1 0 386.499 4.482 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(F)cc1F ZINC000024959562 819900395 /nfs/dbraw/zinc/90/03/95/819900395.db2.gz NAHMBADVPNEWCO-UHFFFAOYSA-N 1 0 389.471 4.237 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(CC)CC)cc1 ZINC000027057245 820186328 /nfs/dbraw/zinc/18/63/28/820186328.db2.gz FUPUXSSXYCMLNW-UHFFFAOYSA-O 1 0 385.553 4.435 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1CC ZINC000027059021 820187238 /nfs/dbraw/zinc/18/72/38/820187238.db2.gz DGOLRZUPKBQPSB-UHFFFAOYSA-O 1 0 379.549 4.130 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccccc2)c1 ZINC000027173655 820205839 /nfs/dbraw/zinc/20/58/39/820205839.db2.gz RPMUKLSIFXMLQJ-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NCc1ccccc1)[n+]1cccc(C)c1 ZINC000027199921 820209057 /nfs/dbraw/zinc/20/90/57/820209057.db2.gz MLRZAHRAXGDZCJ-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027209729 820209584 /nfs/dbraw/zinc/20/95/84/820209584.db2.gz CKCYXJDAYBIQGU-GMAHTHKFSA-N 1 0 392.886 4.331 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027209732 820209667 /nfs/dbraw/zinc/20/96/67/820209667.db2.gz CKCYXJDAYBIQGU-GGAORHGYSA-N 1 0 392.886 4.331 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccccc1CC ZINC000027324857 820224538 /nfs/dbraw/zinc/22/45/38/820224538.db2.gz ZBAIKVLYHCZPQH-UHFFFAOYSA-O 1 0 385.553 4.264 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2CCCCC2)cc1 ZINC000027329911 820225115 /nfs/dbraw/zinc/22/51/15/820225115.db2.gz FYGSJAVDXWDYFI-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCCC1 ZINC000058860063 823463386 /nfs/dbraw/zinc/46/33/86/823463386.db2.gz JOKXIIDEKWWPEW-LJQANCHMSA-N 1 0 398.894 4.179 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(C)cc1 ZINC000027480359 820249931 /nfs/dbraw/zinc/24/99/31/820249931.db2.gz DLESXSQTGRUAEZ-UHFFFAOYSA-O 1 0 387.594 4.181 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCCCSC)[n+]2cccc(C)c2)cc1 ZINC000027481326 820250034 /nfs/dbraw/zinc/25/00/34/820250034.db2.gz UMUHZKIKNSUJDL-UHFFFAOYSA-O 1 0 387.594 4.126 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(C)cc1 ZINC000027482868 820250434 /nfs/dbraw/zinc/25/04/34/820250434.db2.gz GKBHZRCNUGRTOB-UHFFFAOYSA-O 1 0 387.594 4.181 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@H]2CCCC[C@H]2C)[n+]2ccccc2)c1 ZINC000027485343 820251004 /nfs/dbraw/zinc/25/10/04/820251004.db2.gz IEMRZXKPTMIURL-APWZRJJASA-O 1 0 383.537 4.090 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccccc2)c1 ZINC000027485341 820251176 /nfs/dbraw/zinc/25/11/76/820251176.db2.gz IEMRZXKPTMIURL-VQIMIIECSA-O 1 0 383.537 4.090 20 30 GIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000027762397 820283864 /nfs/dbraw/zinc/28/38/64/820283864.db2.gz QSCYIOAVCKAYLL-KRWDZBQOSA-N 1 0 379.529 4.314 20 30 GIEDRO C=CCN1CC[C@H]([N@@H+](CC)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349546 823469921 /nfs/dbraw/zinc/46/99/21/823469921.db2.gz QFOOSHQTBKEGKO-CVEARBPZSA-N 1 0 395.366 4.095 20 30 GIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000573291157 823476665 /nfs/dbraw/zinc/47/66/65/823476665.db2.gz COHZKTSYYRCRCS-UHFFFAOYSA-N 1 0 383.757 4.471 20 30 GIEDRO CCC(CC)c1cc[n+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000029461698 820458657 /nfs/dbraw/zinc/45/86/57/820458657.db2.gz AXYQLNNIPNBEEH-OAQYLSRUSA-N 1 0 395.523 4.013 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569876 820477974 /nfs/dbraw/zinc/47/79/74/820477974.db2.gz RJRURPBVYMNMEZ-DENIHFKCSA-N 1 0 387.527 4.479 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000030454928 820618703 /nfs/dbraw/zinc/61/87/03/820618703.db2.gz YGLCJOWTQSFGCY-JKSUJKDBSA-N 1 0 381.476 4.032 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(COCc4ccccc4)c3)n2c1 ZINC000123291163 823491479 /nfs/dbraw/zinc/49/14/79/823491479.db2.gz GOLASYXBDYRGFX-UHFFFAOYSA-N 1 0 382.467 4.213 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000030532743 820634111 /nfs/dbraw/zinc/63/41/11/820634111.db2.gz PRATZLGNJVEUBT-GHTZIAJQSA-N 1 0 388.467 4.441 20 30 GIEDRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101880 820742462 /nfs/dbraw/zinc/74/24/62/820742462.db2.gz JFXXTRNDRKYFMC-XLIONFOSSA-N 1 0 396.560 4.453 20 30 GIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000031655185 820839640 /nfs/dbraw/zinc/83/96/40/820839640.db2.gz OOARXILZYDXWRC-SFHVURJKSA-N 1 0 390.531 4.226 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460782928 823511237 /nfs/dbraw/zinc/51/12/37/823511237.db2.gz CEHYKRJAJPOSCI-YLJYHZDGSA-N 1 0 399.970 4.161 20 30 GIEDRO C=C(C)Cn1c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460802986 823516693 /nfs/dbraw/zinc/51/66/93/823516693.db2.gz LQRDCEBSDYHQBY-TZIWHRDSSA-N 1 0 393.579 4.243 20 30 GIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)CC1 ZINC000410963625 823525157 /nfs/dbraw/zinc/52/51/57/823525157.db2.gz GGGSPTWFXSCIAN-UHFFFAOYSA-N 1 0 396.922 4.189 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177821310 823530841 /nfs/dbraw/zinc/53/08/41/823530841.db2.gz CIHBXSRUOOJKJS-MRXNPFEDSA-N 1 0 394.544 4.426 20 30 GIEDRO N#Cc1ccccc1CSCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000177823204 823531151 /nfs/dbraw/zinc/53/11/51/823531151.db2.gz OYKNCZOIDWRQCA-UHFFFAOYSA-N 1 0 391.540 4.214 20 30 GIEDRO CCOc1cc(C[N@H+](C)CCOc2ccccc2C#N)ccc1OC(F)F ZINC000060468126 823531480 /nfs/dbraw/zinc/53/14/80/823531480.db2.gz VPRJJAHJSIZRJM-UHFFFAOYSA-N 1 0 376.403 4.069 20 30 GIEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180635395 821377121 /nfs/dbraw/zinc/37/71/21/821377121.db2.gz DMCKUDNGVSXAJC-KRWDZBQOSA-N 1 0 376.426 4.109 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043307061 821389570 /nfs/dbraw/zinc/38/95/70/821389570.db2.gz LCNQZBWJZDOFEW-OAQYLSRUSA-N 1 0 399.560 4.291 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)cc1 ZINC000043316655 821391337 /nfs/dbraw/zinc/39/13/37/821391337.db2.gz OQKYNHOWVSXZPO-UHFFFAOYSA-N 1 0 388.515 4.177 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043490959 821415909 /nfs/dbraw/zinc/41/59/09/821415909.db2.gz FTEFCUDBBICLQP-UHFFFAOYSA-N 1 0 384.549 4.028 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043586051 821429481 /nfs/dbraw/zinc/42/94/81/821429481.db2.gz LXJXTMPGBLRWHC-UHFFFAOYSA-N 1 0 384.549 4.110 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1 ZINC000180786926 821457883 /nfs/dbraw/zinc/45/78/83/821457883.db2.gz XQVBRVHNXKFKIP-AWEZNQCLSA-N 1 0 394.849 4.177 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180800445 821465411 /nfs/dbraw/zinc/46/54/11/821465411.db2.gz MAFKYHYLYGTNTF-ZBFHGGJFSA-N 1 0 378.398 4.030 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)ccc1OC ZINC000180816028 821476491 /nfs/dbraw/zinc/47/64/91/821476491.db2.gz HXLLSPDMTYWDDY-UXHICEINSA-N 1 0 380.488 4.032 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180899557 821523564 /nfs/dbraw/zinc/52/35/64/821523564.db2.gz YKVBMLGAUODGFU-GOSISDBHSA-N 1 0 376.504 4.084 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000181130867 821651727 /nfs/dbraw/zinc/65/17/27/821651727.db2.gz RXGMBYDYMFEGCJ-RYUDHWBXSA-N 1 0 390.281 4.208 20 30 GIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4sccc4C#N)C3)nc2c1 ZINC000181147339 821663452 /nfs/dbraw/zinc/66/34/52/821663452.db2.gz UTVLWRDPKFCARQ-INIZCTEOSA-N 1 0 393.516 4.013 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286793 821735883 /nfs/dbraw/zinc/73/58/83/821735883.db2.gz RMOGNBBEEVGROT-QZTJIDSGSA-N 1 0 376.504 4.130 20 30 GIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181347115 821777064 /nfs/dbraw/zinc/77/70/64/821777064.db2.gz YVFQJLSGYGUVJI-QFIPXVFZSA-N 1 0 399.498 4.204 20 30 GIEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCCC2)cc1 ZINC000181399327 821807041 /nfs/dbraw/zinc/80/70/41/821807041.db2.gz VWRUKTOODOGYMX-CYFREDJKSA-N 1 0 393.531 4.475 20 30 GIEDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000181401226 821807399 /nfs/dbraw/zinc/80/73/99/821807399.db2.gz QNYAGGSYOFTVJE-WZONZLPQSA-N 1 0 379.504 4.085 20 30 GIEDRO CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000181490899 821850060 /nfs/dbraw/zinc/85/00/60/821850060.db2.gz GURGUJZIFCKQSR-QHCPKHFHSA-N 1 0 396.604 4.257 20 30 GIEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181534942 821871453 /nfs/dbraw/zinc/87/14/53/821871453.db2.gz UXGSVRFCNBGKHK-FLMNEEFCSA-N 1 0 398.547 4.042 20 30 GIEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc(OCC#N)cc1 ZINC000181547425 821875655 /nfs/dbraw/zinc/87/56/55/821875655.db2.gz HTRFLWHHASHKKF-KRWDZBQOSA-N 1 0 386.455 4.087 20 30 GIEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573081 821885040 /nfs/dbraw/zinc/88/50/40/821885040.db2.gz DJAVWYLOVRIEDP-VQIMIIECSA-N 1 0 381.476 4.056 20 30 GIEDRO C[NH+](C)CCC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181813146 822003073 /nfs/dbraw/zinc/00/30/73/822003073.db2.gz OAEGQTHTDRMDHR-UHFFFAOYSA-N 1 0 377.488 4.154 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4cccc(Cl)c4)C3)CC2)cc1 ZINC000181866471 822020652 /nfs/dbraw/zinc/02/06/52/822020652.db2.gz HGRXHCUSVSXOSX-QFIPXVFZSA-N 1 0 394.950 4.045 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000181903089 822032625 /nfs/dbraw/zinc/03/26/25/822032625.db2.gz MDELQJBXMXGJTC-OAHLLOKOSA-N 1 0 391.393 4.183 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181978345 822051363 /nfs/dbraw/zinc/05/13/63/822051363.db2.gz IYXCFCGXWFRFLE-UHFFFAOYSA-N 1 0 389.499 4.441 20 30 GIEDRO CO[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000181997570 822057695 /nfs/dbraw/zinc/05/76/95/822057695.db2.gz NJAMZUJESUNXCL-JOCHJYFZSA-N 1 0 383.923 4.153 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182059132 822077290 /nfs/dbraw/zinc/07/72/90/822077290.db2.gz VISCGFFAHQIQGN-UHFFFAOYSA-N 1 0 391.563 4.179 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000182127338 822106144 /nfs/dbraw/zinc/10/61/44/822106144.db2.gz PTJDPBSGDNERLQ-UHFFFAOYSA-N 1 0 389.499 4.487 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000182205271 822145929 /nfs/dbraw/zinc/14/59/29/822145929.db2.gz QAGWCKFULKJGGA-NSHDSACASA-N 1 0 392.322 4.288 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(OC)c1 ZINC000182559900 822302294 /nfs/dbraw/zinc/30/22/94/822302294.db2.gz LZPGWMJZZZWXSO-JOCHJYFZSA-N 1 0 391.515 4.063 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178242101 822357777 /nfs/dbraw/zinc/35/77/77/822357777.db2.gz ICPWNHYJNXXUIJ-FYYLOGMGSA-N 1 0 388.515 4.385 20 30 GIEDRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000045151508 822366148 /nfs/dbraw/zinc/36/61/48/822366148.db2.gz QSOYENIJFFHLMT-JOCHJYFZSA-N 1 0 396.510 4.168 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178558175 822391858 /nfs/dbraw/zinc/39/18/58/822391858.db2.gz BWHHSULNWOPORW-DYESRHJHSA-N 1 0 376.504 4.384 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680108 822402211 /nfs/dbraw/zinc/40/22/11/822402211.db2.gz FGABRTARFBABTP-HOTGVXAUSA-N 1 0 387.505 4.219 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)ccc1OC ZINC000183106205 822425400 /nfs/dbraw/zinc/42/54/00/822425400.db2.gz HSOWACSISOKXQM-UHFFFAOYSA-N 1 0 377.488 4.434 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000179036737 822432021 /nfs/dbraw/zinc/43/20/21/822432021.db2.gz VUDOFHPXOJBBCV-PUCZYUMASA-N 1 0 387.886 4.305 20 30 GIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000183155884 822432775 /nfs/dbraw/zinc/43/27/75/822432775.db2.gz LBWISPPMKBRKAV-AWEZNQCLSA-N 1 0 393.516 4.020 20 30 GIEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000183210444 822442160 /nfs/dbraw/zinc/44/21/60/822442160.db2.gz SAAZGNLNICVENE-JOCHJYFZSA-N 1 0 390.462 4.256 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316233 822465138 /nfs/dbraw/zinc/46/51/38/822465138.db2.gz SAYGMQCMWTXWTP-HUUCEWRRSA-N 1 0 383.458 4.147 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000179372460 822472774 /nfs/dbraw/zinc/47/27/74/822472774.db2.gz OFRWBAWOKFNKKB-HOTGVXAUSA-N 1 0 385.533 4.360 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000179372472 822472800 /nfs/dbraw/zinc/47/28/00/822472800.db2.gz OFRWBAWOKFNKKB-HZPDHXFCSA-N 1 0 385.533 4.360 20 30 GIEDRO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529243 822481941 /nfs/dbraw/zinc/48/19/41/822481941.db2.gz WJKGLRJFROPZAR-UHFFFAOYSA-N 1 0 383.495 4.286 20 30 GIEDRO Cc1cc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000046601459 822490787 /nfs/dbraw/zinc/49/07/87/822490787.db2.gz VWMWCNIVIJPSLQ-QGZVFWFLSA-N 1 0 396.560 4.215 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183563791 822495289 /nfs/dbraw/zinc/49/52/89/822495289.db2.gz FCRCWHUTRVFSJP-QGZVFWFLSA-N 1 0 392.528 4.440 20 30 GIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179594223 822509107 /nfs/dbraw/zinc/50/91/07/822509107.db2.gz FJJGHRYGHASWNW-PBPGXSGUSA-N 1 0 394.475 4.162 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179614329 822513172 /nfs/dbraw/zinc/51/31/72/822513172.db2.gz XKQIOWDPDNBERO-RYUDHWBXSA-N 1 0 377.391 4.047 20 30 GIEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000183821526 822532073 /nfs/dbraw/zinc/53/20/73/822532073.db2.gz BECXNIDFIGLPAI-LSDHHAIUSA-N 1 0 399.516 4.058 20 30 GIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179715994 822533692 /nfs/dbraw/zinc/53/36/92/822533692.db2.gz CEQQKFCAJQWMGO-GOEBONIOSA-N 1 0 379.451 4.060 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1OC(F)F ZINC000179718733 822534559 /nfs/dbraw/zinc/53/45/59/822534559.db2.gz FAUNXJLXYFZTLE-OAHLLOKOSA-N 1 0 393.821 4.492 20 30 GIEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730163 822537010 /nfs/dbraw/zinc/53/70/10/822537010.db2.gz CFSUVFPAIFCTNH-OAQYLSRUSA-N 1 0 393.531 4.196 20 30 GIEDRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000454904032 822553999 /nfs/dbraw/zinc/55/39/99/822553999.db2.gz YYDPYMGIJLABGX-UHFFFAOYSA-N 1 0 396.466 4.486 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180016345 822597083 /nfs/dbraw/zinc/59/70/83/822597083.db2.gz SJGLTESNKGWYRN-AZUAARDMSA-N 1 0 392.503 4.106 20 30 GIEDRO COc1cccc(C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000180023295 822598807 /nfs/dbraw/zinc/59/88/07/822598807.db2.gz DNNUOFNUTJUXCM-UHFFFAOYSA-N 1 0 386.499 4.347 20 30 GIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028720 822600357 /nfs/dbraw/zinc/60/03/57/822600357.db2.gz XUNSOPCAXWMIJG-YWZLYKJASA-N 1 0 377.488 4.448 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(c4ccccn4)CC3)c2)c1 ZINC000047703615 822601179 /nfs/dbraw/zinc/60/11/79/822601179.db2.gz ZZNXWHNNTMRMMP-UHFFFAOYSA-N 1 0 398.510 4.291 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180038834 822602416 /nfs/dbraw/zinc/60/24/16/822602416.db2.gz YREYIWWVYFGYDD-IAGOWNOFSA-N 1 0 398.532 4.073 20 30 GIEDRO C=CCC[C@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000180050118 822604380 /nfs/dbraw/zinc/60/43/80/822604380.db2.gz XSMLWCCHORCOQL-SFHVURJKSA-N 1 0 385.418 4.061 20 30 GIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000184336995 822617968 /nfs/dbraw/zinc/61/79/68/822617968.db2.gz QNBFFSWJYLNOKH-QGZVFWFLSA-N 1 0 380.492 4.141 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)Cc1ccccc1 ZINC000184361324 822622205 /nfs/dbraw/zinc/62/22/05/822622205.db2.gz IQZKWEOUZQJEDI-UYAOXDASSA-N 1 0 394.519 4.052 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000180236337 822645583 /nfs/dbraw/zinc/64/55/83/822645583.db2.gz FQOFCTNODIXVPE-HXUWFJFHSA-N 1 0 390.487 4.066 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000180236323 822645684 /nfs/dbraw/zinc/64/56/84/822645684.db2.gz FQOFCTNODIXVPE-FQEVSTJZSA-N 1 0 390.487 4.066 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180241230 822646620 /nfs/dbraw/zinc/64/66/20/822646620.db2.gz FRUOSJVHRXQGEF-IBGZPJMESA-N 1 0 392.890 4.265 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccsc1 ZINC000048228558 822647012 /nfs/dbraw/zinc/64/70/12/822647012.db2.gz DRPHPJWJEDPABM-LJQANCHMSA-N 1 0 387.574 4.052 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000184517388 822649522 /nfs/dbraw/zinc/64/95/22/822649522.db2.gz XHJBVXJKUUJHJX-HNNXBMFYSA-N 1 0 376.485 4.361 20 30 GIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180295828 822658195 /nfs/dbraw/zinc/65/81/95/822658195.db2.gz NYEYUOXPEBFZJL-UHFFFAOYSA-N 1 0 396.498 4.051 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(-c2ccncc2)n1 ZINC000180334785 822665178 /nfs/dbraw/zinc/66/51/78/822665178.db2.gz CAXOMRFWKBWNKV-UHFFFAOYSA-N 1 0 379.467 4.311 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(OCC#N)c1 ZINC000048515482 822669481 /nfs/dbraw/zinc/66/94/81/822669481.db2.gz REMRFMXTPPYWQR-UHFFFAOYSA-N 1 0 386.521 4.026 20 30 GIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180367991 822671198 /nfs/dbraw/zinc/67/11/98/822671198.db2.gz MRSYWDWKSDCCTD-UHFFFAOYSA-N 1 0 385.515 4.475 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180411027 822677277 /nfs/dbraw/zinc/67/72/77/822677277.db2.gz XYWPPZPSBSCBPV-HUUCEWRRSA-N 1 0 398.488 4.278 20 30 GIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048781090 822682889 /nfs/dbraw/zinc/68/28/89/822682889.db2.gz QAPDKJHRQBUDOZ-UHFFFAOYSA-N 1 0 388.442 4.380 20 30 GIEDRO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3cccs3)n2c1 ZINC000180508772 822693460 /nfs/dbraw/zinc/69/34/60/822693460.db2.gz PYPXNQOKDISVTA-PKOBYXMFSA-N 1 0 380.517 4.136 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542923 822699093 /nfs/dbraw/zinc/69/90/93/822699093.db2.gz VWLBYMQCICDQIH-HOTGVXAUSA-N 1 0 378.476 4.285 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000180550692 822700656 /nfs/dbraw/zinc/70/06/56/822700656.db2.gz UKXRQXIONVBBJF-GOSISDBHSA-N 1 0 387.277 4.355 20 30 GIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455707064 822708506 /nfs/dbraw/zinc/70/85/06/822708506.db2.gz VLFSSONHBBLQAY-IBGZPJMESA-N 1 0 389.543 4.469 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724522 822714259 /nfs/dbraw/zinc/71/42/59/822714259.db2.gz CDUDFJJHTNALGI-QRWLVFNGSA-N 1 0 382.895 4.048 20 30 GIEDRO CSc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184938155 822715778 /nfs/dbraw/zinc/71/57/78/822715778.db2.gz OXRSYNOXQHPNKJ-UHFFFAOYSA-N 1 0 382.533 4.184 20 30 GIEDRO Cc1sc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000184951279 822717494 /nfs/dbraw/zinc/71/74/94/822717494.db2.gz HBURVNUVGSJGNP-CYBMUJFWSA-N 1 0 390.940 4.185 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000455768074 822722736 /nfs/dbraw/zinc/72/27/36/822722736.db2.gz JYCVGDPFGCMKBU-KRWDZBQOSA-N 1 0 384.524 4.075 20 30 GIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455834296 822733782 /nfs/dbraw/zinc/73/37/82/822733782.db2.gz BAIAEYLRFPUFQY-HSZRJFAPSA-N 1 0 389.543 4.107 20 30 GIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CC#N)c1 ZINC000455912335 822747895 /nfs/dbraw/zinc/74/78/95/822747895.db2.gz XJBZQZCZTHSLBR-OAQYLSRUSA-N 1 0 376.504 4.175 20 30 GIEDRO C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000455943637 822754741 /nfs/dbraw/zinc/75/47/41/822754741.db2.gz LLDZSDNUWGZARW-UHFFFAOYSA-N 1 0 377.916 4.243 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000455944101 822755086 /nfs/dbraw/zinc/75/50/86/822755086.db2.gz MJSHNLMRJDTHCR-RBUKOAKNSA-N 1 0 392.528 4.458 20 30 GIEDRO C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455948648 822756166 /nfs/dbraw/zinc/75/61/66/822756166.db2.gz UKWGHVBTEAMISE-MRXNPFEDSA-N 1 0 377.916 4.385 20 30 GIEDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC000455982708 822761419 /nfs/dbraw/zinc/76/14/19/822761419.db2.gz LNYZPJGNZCGDRL-UHFFFAOYSA-N 1 0 388.924 4.388 20 30 GIEDRO N#Cc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)cc1 ZINC000185573303 822798007 /nfs/dbraw/zinc/79/80/07/822798007.db2.gz YVBOMFRAUZYFBT-UHFFFAOYSA-O 1 0 394.426 4.175 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185576738 822798493 /nfs/dbraw/zinc/79/84/93/822798493.db2.gz IISFAHNGQYGQLX-UHFFFAOYSA-O 1 0 380.537 4.080 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000185579989 822798702 /nfs/dbraw/zinc/79/87/02/822798702.db2.gz IBLDTIGTISYXQQ-YLJYHZDGSA-O 1 0 392.548 4.261 20 30 GIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000052464009 822800649 /nfs/dbraw/zinc/80/06/49/822800649.db2.gz TWMXMGDQEGAQOR-UZUQRXQVSA-N 1 0 380.536 4.099 20 30 GIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000185634891 822804749 /nfs/dbraw/zinc/80/47/49/822804749.db2.gz FNWGQNWPCLEJIQ-CYBMUJFWSA-N 1 0 380.414 4.054 20 30 GIEDRO C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720466 822814141 /nfs/dbraw/zinc/81/41/41/822814141.db2.gz GTZBUOFMEKBQOA-QZTJIDSGSA-N 1 0 387.593 4.146 20 30 GIEDRO C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720506 822814247 /nfs/dbraw/zinc/81/42/47/822814247.db2.gz GTZBUOFMEKBQOA-MSOLQXFVSA-N 1 0 387.593 4.146 20 30 GIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000185820987 822824334 /nfs/dbraw/zinc/82/43/34/822824334.db2.gz OHPBXQLZHAQONX-RBBKRZOGSA-N 1 0 391.515 4.227 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185886474 822830130 /nfs/dbraw/zinc/83/01/30/822830130.db2.gz JYHHPFGCBIUZER-ZEYPLWLESA-N 1 0 396.556 4.414 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185886505 822830186 /nfs/dbraw/zinc/83/01/86/822830186.db2.gz JYHHPFGCBIUZER-HARLFGEKSA-N 1 0 396.556 4.414 20 30 GIEDRO CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457066626 822849537 /nfs/dbraw/zinc/84/95/37/822849537.db2.gz JHSIMSHLWIJVFX-UHFFFAOYSA-N 1 0 395.469 4.002 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1cccnc1)C1CC1)CCCCC2 ZINC000174973558 822863030 /nfs/dbraw/zinc/86/30/30/822863030.db2.gz QEFUHIMIIXIFMK-UHFFFAOYSA-N 1 0 394.544 4.277 20 30 GIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](CCSC)c2nnc3ccccn32)c(O)c1 ZINC000054280308 822872702 /nfs/dbraw/zinc/87/27/02/822872702.db2.gz IUJFMKIWZWIIQW-GNFOSXPUSA-N 1 0 397.548 4.194 20 30 GIEDRO COc1cccc([C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000457479411 822879567 /nfs/dbraw/zinc/87/95/67/822879567.db2.gz MNWURIMWOUCJHK-YADHBBJMSA-N 1 0 394.519 4.032 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000175121404 822886474 /nfs/dbraw/zinc/88/64/74/822886474.db2.gz KYWSIYHZOSWBGC-QGZVFWFLSA-N 1 0 394.494 4.071 20 30 GIEDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000569273427 822899645 /nfs/dbraw/zinc/89/96/45/822899645.db2.gz UEIVILOTIKNFPV-HNNXBMFYSA-N 1 0 390.597 4.494 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000055009765 822930523 /nfs/dbraw/zinc/93/05/23/822930523.db2.gz BZQDNSQPSBZUEC-UHFFFAOYSA-O 1 0 397.564 4.188 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000055009712 822930533 /nfs/dbraw/zinc/93/05/33/822930533.db2.gz CTMUGZIBMFYVBL-UHFFFAOYSA-O 1 0 391.507 4.487 20 30 GIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC(C)C)[n+]2ccc3c(c2)CCCC3)c1 ZINC000055009741 822930573 /nfs/dbraw/zinc/93/05/73/822930573.db2.gz HGYSOZFBLFVDKQ-UHFFFAOYSA-O 1 0 381.565 4.407 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1ccccc1C)[n+]1ccccc1 ZINC000055011132 822930760 /nfs/dbraw/zinc/93/07/60/822930760.db2.gz AQTMANPNWAPNAB-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NC(C)(C)C ZINC000055014459 822931390 /nfs/dbraw/zinc/93/13/90/822931390.db2.gz ZYTJOEMHQIITND-UHFFFAOYSA-O 1 0 381.565 4.352 20 30 GIEDRO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055228308 822947043 /nfs/dbraw/zinc/94/70/43/822947043.db2.gz TWLWNOGLINNVQZ-UHFFFAOYSA-N 1 0 385.467 4.451 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000458168072 822964547 /nfs/dbraw/zinc/96/45/47/822964547.db2.gz NKZJPMLKTQXNNO-IBGZPJMESA-N 1 0 377.488 4.007 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(C)c(C)c1)[n+]1ccccc1 ZINC000186953249 822985933 /nfs/dbraw/zinc/98/59/33/822985933.db2.gz CYGOGWHSKMESFN-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NC(C)(C)CC ZINC000186976555 822990731 /nfs/dbraw/zinc/99/07/31/822990731.db2.gz WFCXNXHIUMRWRF-UHFFFAOYSA-O 1 0 380.537 4.125 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(N(C)C)cc1 ZINC000186977690 822991113 /nfs/dbraw/zinc/99/11/13/822991113.db2.gz RYVHLIXJTKJPEI-UHFFFAOYSA-O 1 0 384.569 4.066 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1OC)C(=S)NC(C)(C)CC ZINC000186980492 822991521 /nfs/dbraw/zinc/99/15/21/822991521.db2.gz KJHHTSQUIMAQIQ-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175641015 823011437 /nfs/dbraw/zinc/01/14/37/823011437.db2.gz LHWMLSHIJMMSJT-QUCCMNQESA-N 1 0 383.561 4.499 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000570471715 823042510 /nfs/dbraw/zinc/04/25/10/823042510.db2.gz GCTAYIZMVZAHDQ-LADGPHEKSA-N 1 0 390.458 4.011 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460954615 823549913 /nfs/dbraw/zinc/54/99/13/823549913.db2.gz CINAYGBLNDIICG-APWZRJJASA-N 1 0 385.943 4.238 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1C ZINC000123950570 823554487 /nfs/dbraw/zinc/55/44/87/823554487.db2.gz DYMIPJGTSAVGSA-SJLPKXTDSA-N 1 0 379.529 4.264 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1OC ZINC000124038177 823561898 /nfs/dbraw/zinc/56/18/98/823561898.db2.gz JVUVLVUOYHDOIM-UHFFFAOYSA-N 1 0 381.472 4.061 20 30 GIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)cc1OC ZINC000060950421 823568847 /nfs/dbraw/zinc/56/88/47/823568847.db2.gz OUFILKSTFWMCCY-JOCHJYFZSA-N 1 0 380.532 4.495 20 30 GIEDRO N#Cc1cccc([C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409204 823571272 /nfs/dbraw/zinc/57/12/72/823571272.db2.gz AOUAXLBFMKTPLD-DEOSSOPVSA-N 1 0 375.516 4.118 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(C#N)cc1 ZINC000411446011 823575059 /nfs/dbraw/zinc/57/50/59/823575059.db2.gz HXLDPRNYSXVSJU-GJZGRUSLSA-N 1 0 392.528 4.296 20 30 GIEDRO CCCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000411447348 823575390 /nfs/dbraw/zinc/57/53/90/823575390.db2.gz JQGTVFAZEVQXEI-INIZCTEOSA-N 1 0 381.476 4.035 20 30 GIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000411462397 823577608 /nfs/dbraw/zinc/57/76/08/823577608.db2.gz UWHRSOHVFIRDMW-QGZVFWFLSA-N 1 0 379.357 4.309 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(F)c1F ZINC000411480065 823579879 /nfs/dbraw/zinc/57/98/79/823579879.db2.gz HJRMUQXZDKWOEV-LLVKDONJSA-N 1 0 375.444 4.066 20 30 GIEDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411506402 823582246 /nfs/dbraw/zinc/58/22/46/823582246.db2.gz PSHLQZCPPSOBII-LSDHHAIUSA-N 1 0 396.560 4.381 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528928 823585162 /nfs/dbraw/zinc/58/51/62/823585162.db2.gz HSAKRSDQHXFZAN-XJKSGUPXSA-N 1 0 395.484 4.221 20 30 GIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411539613 823586463 /nfs/dbraw/zinc/58/64/63/823586463.db2.gz FPKIRUPVTLULHC-CYBMUJFWSA-N 1 0 387.915 4.151 20 30 GIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609853 823591263 /nfs/dbraw/zinc/59/12/63/823591263.db2.gz NFXNVBFFJBZBBY-PMACEKPBSA-N 1 0 399.441 4.001 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-c2ccccc2)o1 ZINC000190612200 823591545 /nfs/dbraw/zinc/59/15/45/823591545.db2.gz VDMWLYRMTSNNHJ-DYESRHJHSA-N 1 0 385.467 4.270 20 30 GIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190620957 823592462 /nfs/dbraw/zinc/59/24/62/823592462.db2.gz XHCOEWPUQMADLU-OALUTQOASA-N 1 0 399.441 4.001 20 30 GIEDRO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627078 823593261 /nfs/dbraw/zinc/59/32/61/823593261.db2.gz QAFZHTNIZCXISU-MBSDFSHPSA-N 1 0 391.515 4.045 20 30 GIEDRO COCC[N@H+](Cc1cn(C)nc1-c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000124401707 823593623 /nfs/dbraw/zinc/59/36/23/823593623.db2.gz SRBFMTJOMWXPJU-UHFFFAOYSA-N 1 0 394.906 4.261 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000190632534 823593767 /nfs/dbraw/zinc/59/37/67/823593767.db2.gz SABDACIFQZJWJD-AUUYWEPGSA-N 1 0 387.405 4.029 20 30 GIEDRO N#CCCC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000411763835 823603413 /nfs/dbraw/zinc/60/34/13/823603413.db2.gz ZHLDELVHNXGDJS-IBGZPJMESA-N 1 0 392.528 4.462 20 30 GIEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000411988203 823618361 /nfs/dbraw/zinc/61/83/61/823618361.db2.gz RTOJTUOOXNXKQR-SFHVURJKSA-N 1 0 388.508 4.070 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000411987706 823618392 /nfs/dbraw/zinc/61/83/92/823618392.db2.gz RCSNYYFZAXAMBQ-HXUWFJFHSA-N 1 0 384.545 4.125 20 30 GIEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2cc(C#N)n(C)c2)cc1OC ZINC000190902872 823622199 /nfs/dbraw/zinc/62/21/99/823622199.db2.gz MOYAHEHVHXQWPH-JOCHJYFZSA-N 1 0 389.499 4.296 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412134387 823629017 /nfs/dbraw/zinc/62/90/17/823629017.db2.gz SZTCCOHXWUYLEU-ZQAWKMMESA-N 1 0 387.527 4.173 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000412194745 823634525 /nfs/dbraw/zinc/63/45/25/823634525.db2.gz ONLXPPUPKFWUPG-JBXUNAHCSA-N 1 0 399.538 4.175 20 30 GIEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000461459591 823642102 /nfs/dbraw/zinc/64/21/02/823642102.db2.gz CFATYSARZWMKAK-UHFFFAOYSA-N 1 0 392.453 4.405 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300295 823660866 /nfs/dbraw/zinc/66/08/66/823660866.db2.gz ABQRRXKHYQFHRN-UHFFFAOYSA-N 1 0 383.879 4.237 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063394174 823667412 /nfs/dbraw/zinc/66/74/12/823667412.db2.gz YETAZUPUUTZBPP-UHFFFAOYSA-N 1 0 384.524 4.122 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000063401841 823668364 /nfs/dbraw/zinc/66/83/64/823668364.db2.gz KGAZGVDAXGTDKF-JOCHJYFZSA-N 1 0 382.552 4.012 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000063496220 823676106 /nfs/dbraw/zinc/67/61/06/823676106.db2.gz NRBHDWNMXVICRU-UHFFFAOYSA-N 1 0 398.304 4.314 20 30 GIEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000461742824 823690577 /nfs/dbraw/zinc/69/05/77/823690577.db2.gz NRQKCZGZOLHKTO-MRXNPFEDSA-N 1 0 381.907 4.096 20 30 GIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000063750803 823693434 /nfs/dbraw/zinc/69/34/34/823693434.db2.gz QGXZGPIKNTZUMY-UHFFFAOYSA-N 1 0 392.528 4.219 20 30 GIEDRO Cc1ncn(-c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)c1C ZINC000574335242 823704308 /nfs/dbraw/zinc/70/43/08/823704308.db2.gz YQSWVBBRXXZCCJ-UHFFFAOYSA-N 1 0 385.515 4.437 20 30 GIEDRO Cn1cc(C[NH2+][C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N ZINC000191618842 823714805 /nfs/dbraw/zinc/71/48/05/823714805.db2.gz AAEIUCGUVIQLJC-FQEVSTJZSA-N 1 0 380.492 4.411 20 30 GIEDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000574384703 823715648 /nfs/dbraw/zinc/71/56/48/823715648.db2.gz ZDXUQBFCSMAIMA-UUOWRZLLSA-N 1 0 388.515 4.071 20 30 GIEDRO Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413148845 823716088 /nfs/dbraw/zinc/71/60/88/823716088.db2.gz YWQRSDCLYLZCEV-KRWDZBQOSA-N 1 0 394.475 4.087 20 30 GIEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000461946826 823768157 /nfs/dbraw/zinc/76/81/57/823768157.db2.gz HWGGQMUEIZSQNB-XZOQPEGZSA-N 1 0 390.531 4.022 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000413401368 823769255 /nfs/dbraw/zinc/76/92/55/823769255.db2.gz MTTVJLIHRYAAGG-XXBNENTESA-N 1 0 392.547 4.094 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953698 823770348 /nfs/dbraw/zinc/77/03/48/823770348.db2.gz AYDVAEOFBZTRBR-RYQLBKOJSA-N 1 0 396.457 4.080 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251359 823780137 /nfs/dbraw/zinc/78/01/37/823780137.db2.gz SYPYMORCLBQTQZ-UHFFFAOYSA-N 1 0 389.590 4.419 20 30 GIEDRO CC[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000413697348 823819825 /nfs/dbraw/zinc/81/98/25/823819825.db2.gz PMEWBBSSFJJIOH-OAQYLSRUSA-N 1 0 393.556 4.232 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000165187458 823839011 /nfs/dbraw/zinc/83/90/11/823839011.db2.gz IHFDDDSXILFHKP-KRWDZBQOSA-N 1 0 386.923 4.413 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000165187565 823839037 /nfs/dbraw/zinc/83/90/37/823839037.db2.gz IHFDDDSXILFHKP-QGZVFWFLSA-N 1 0 386.923 4.413 20 30 GIEDRO N#Cc1cccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000574872782 823848907 /nfs/dbraw/zinc/84/89/07/823848907.db2.gz AKRJFPQPLUSXNA-UHFFFAOYSA-N 1 0 390.405 4.251 20 30 GIEDRO COc1ccc(C[NH2+]Cc2csc(Br)c2)cc1OCCCC#N ZINC000064613976 823852870 /nfs/dbraw/zinc/85/28/70/823852870.db2.gz NLPDJAQGYLWVAO-UHFFFAOYSA-N 1 0 395.322 4.492 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1F ZINC000192109949 823863331 /nfs/dbraw/zinc/86/33/31/823863331.db2.gz MWGKYGYPPHFJTL-UHFFFAOYSA-N 1 0 391.490 4.101 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000064720085 823870642 /nfs/dbraw/zinc/87/06/42/823870642.db2.gz LLIQZYDJWCSSKZ-OAQYLSRUSA-N 1 0 392.503 4.162 20 30 GIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413935195 823870658 /nfs/dbraw/zinc/87/06/58/823870658.db2.gz CMFYVTXLGOUSNW-UHFFFAOYSA-N 1 0 386.517 4.166 20 30 GIEDRO CCC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000462260191 823903094 /nfs/dbraw/zinc/90/30/94/823903094.db2.gz RZNBJZYMNQIGTP-HXUWFJFHSA-N 1 0 389.543 4.470 20 30 GIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4)s3)C2=O)cc1 ZINC000192244937 823914857 /nfs/dbraw/zinc/91/48/57/823914857.db2.gz GEHRSCVXBNLYGA-OAQYLSRUSA-N 1 0 387.508 4.177 20 30 GIEDRO C[NH+](C)Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c(F)c1 ZINC000414484362 823992800 /nfs/dbraw/zinc/99/28/00/823992800.db2.gz GYUVWMXHBJALSA-UHFFFAOYSA-N 1 0 377.467 4.277 20 30 GIEDRO Cc1csc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1C#N ZINC000575834280 824007043 /nfs/dbraw/zinc/00/70/43/824007043.db2.gz JTJKINSHQNWZQM-MRXNPFEDSA-N 1 0 375.444 4.024 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000170946172 824010887 /nfs/dbraw/zinc/01/08/87/824010887.db2.gz WGGKAZKIZQBXAX-OAQYLSRUSA-N 1 0 384.520 4.426 20 30 GIEDRO C=CCOc1c(Br)cc(CNc2ccccc2C[NH2+]C)cc1OC ZINC000414859351 824042972 /nfs/dbraw/zinc/04/29/72/824042972.db2.gz MOOLYZHSXCJHAP-UHFFFAOYSA-N 1 0 391.309 4.354 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000171039159 824044571 /nfs/dbraw/zinc/04/45/71/824044571.db2.gz DNZYWJWJGAZCQC-HSZRJFAPSA-N 1 0 390.531 4.315 20 30 GIEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000414898706 824047575 /nfs/dbraw/zinc/04/75/75/824047575.db2.gz DUHIFLPDTZEOCT-GHTZIAJQSA-N 1 0 382.895 4.244 20 30 GIEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000576006211 824048241 /nfs/dbraw/zinc/04/82/41/824048241.db2.gz UQNKCWUYQUYSKN-UHFFFAOYSA-N 1 0 376.460 4.492 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000414904758 824048520 /nfs/dbraw/zinc/04/85/20/824048520.db2.gz NJELCQRPWQAFLP-DJKXOVBDSA-N 1 0 382.895 4.196 20 30 GIEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414905242 824048613 /nfs/dbraw/zinc/04/86/13/824048613.db2.gz NTXURZJHKBFJJV-GHTZIAJQSA-N 1 0 384.911 4.490 20 30 GIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328607530 209147279 /nfs/dbraw/zinc/14/72/79/209147279.db2.gz WFTHDAWEHNOGSM-AYPBNUJASA-N 1 0 385.471 4.118 20 30 GIEDRO N#Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl ZINC001164623337 719108283 /nfs/dbraw/zinc/10/82/83/719108283.db2.gz CMLJLMRSZFIYQS-HNAYVOBHSA-N 1 0 387.314 4.361 20 30 GIEDRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(C)C)ccc2C#N)CC3)cs1 ZINC001164693988 719804385 /nfs/dbraw/zinc/80/43/85/719804385.db2.gz WPJNRPFQXZSDAY-UHFFFAOYSA-N 1 0 395.576 4.477 20 30 GIEDRO COc1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1C#N ZINC001164760561 721043568 /nfs/dbraw/zinc/04/35/68/721043568.db2.gz WGQWDZAZQXNTPT-UHFFFAOYSA-N 1 0 390.531 4.153 20 30 GIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775504 721303932 /nfs/dbraw/zinc/30/39/32/721303932.db2.gz YBBQUFAVMIWNKG-UHFFFAOYSA-N 1 0 387.314 4.335 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994276 722193842 /nfs/dbraw/zinc/19/38/42/722193842.db2.gz MOIXQXQPVMRMIX-HSZRJFAPSA-N 1 0 378.495 4.461 20 30 GIEDRO CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458570898 823057602 /nfs/dbraw/zinc/05/76/02/823057602.db2.gz IRNGUYXXWFDNPJ-SFHVURJKSA-N 1 0 396.457 4.090 20 30 GIEDRO N#CCCC[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000458603924 823062310 /nfs/dbraw/zinc/06/23/10/823062310.db2.gz GZRDZPLWUDDMBX-QFIPXVFZSA-N 1 0 391.519 4.032 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(SCC#N)c1 ZINC000175938445 823077187 /nfs/dbraw/zinc/07/71/87/823077187.db2.gz PEBBHSHFLAJIKH-UHFFFAOYSA-N 1 0 387.936 4.160 20 30 GIEDRO C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458779638 823084694 /nfs/dbraw/zinc/08/46/94/823084694.db2.gz RQENMLBOQOGAPB-NYVOZVTQSA-N 1 0 378.520 4.412 20 30 GIEDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OCCCC#N ZINC000175985297 823088730 /nfs/dbraw/zinc/08/87/30/823088730.db2.gz HYIFPGLNHRTWGR-UHFFFAOYSA-N 1 0 383.448 4.311 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)ccc1OC ZINC000175994824 823091152 /nfs/dbraw/zinc/09/11/52/823091152.db2.gz BDJHFNHPPBLBQW-LJQANCHMSA-N 1 0 376.460 4.056 20 30 GIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056161975 823093220 /nfs/dbraw/zinc/09/32/20/823093220.db2.gz UIWIBWCJRLWXLT-HZPDHXFCSA-N 1 0 381.476 4.033 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1cccs1 ZINC000176006607 823094080 /nfs/dbraw/zinc/09/40/80/823094080.db2.gz CMGWDUUYOVFIPE-VQIMIIECSA-N 1 0 385.558 4.177 20 30 GIEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccnc5ccccc54)CC3)C2=O)cc1 ZINC000570864537 823098434 /nfs/dbraw/zinc/09/84/34/823098434.db2.gz VOZUUQRNSVYZSG-DEOSSOPVSA-N 1 0 396.494 4.091 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000570873829 823099834 /nfs/dbraw/zinc/09/98/34/823099834.db2.gz JVHKMQQOPFONMH-CQSZACIVSA-N 1 0 378.369 4.203 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2)c1 ZINC000570893066 823103494 /nfs/dbraw/zinc/10/34/94/823103494.db2.gz PGMIHZQYNVDUIY-OAQYLSRUSA-N 1 0 392.890 4.434 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000176045094 823105182 /nfs/dbraw/zinc/10/51/82/823105182.db2.gz SYDBFPJEWSNBMH-UHFFFAOYSA-N 1 0 399.760 4.192 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2Cl)cc1 ZINC000570908864 823106192 /nfs/dbraw/zinc/10/61/92/823106192.db2.gz IBGATDAPIAGIHI-CALCHBBNSA-N 1 0 396.878 4.362 20 30 GIEDRO COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)cc1F ZINC000571067726 823127093 /nfs/dbraw/zinc/12/70/93/823127093.db2.gz KJEYNPLOYIKQCE-KESTWPANSA-N 1 0 379.479 4.211 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000571146141 823140412 /nfs/dbraw/zinc/14/04/12/823140412.db2.gz DRMDABABGJBHQP-BEFAXECRSA-N 1 0 382.895 4.117 20 30 GIEDRO COc1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1C#N ZINC000571272466 823159005 /nfs/dbraw/zinc/15/90/05/823159005.db2.gz IGPDOHQUUBWZOQ-UHFFFAOYSA-N 1 0 386.377 4.061 20 30 GIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Br)c(OC)s2)c1 ZINC000121434151 823183724 /nfs/dbraw/zinc/18/37/24/823183724.db2.gz LBSARYCIWVNKMS-CYBMUJFWSA-N 1 0 395.322 4.490 20 30 GIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Br)c(OC)s2)c1 ZINC000121434008 823183818 /nfs/dbraw/zinc/18/38/18/823183818.db2.gz LBSARYCIWVNKMS-ZDUSSCGKSA-N 1 0 395.322 4.490 20 30 GIEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000056659194 823191430 /nfs/dbraw/zinc/19/14/30/823191430.db2.gz UQALHKAKSLWDEC-GOSISDBHSA-N 1 0 378.476 4.122 20 30 GIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121757061 823244617 /nfs/dbraw/zinc/24/46/17/823244617.db2.gz MDTRJEWREYSOBO-CQSZACIVSA-N 1 0 379.430 4.257 20 30 GIEDRO COc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCCC2)c1 ZINC000121785388 823250730 /nfs/dbraw/zinc/25/07/30/823250730.db2.gz YUDIDGPHXLIILZ-VCOZGABYSA-N 1 0 375.472 4.205 20 30 GIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000121798800 823253824 /nfs/dbraw/zinc/25/38/24/823253824.db2.gz KNHKLEMWQDRGPM-OALUTQOASA-N 1 0 392.459 4.070 20 30 GIEDRO CCOc1cc(C[NH2+]CC(C)(C)CC#N)cc(Br)c1OC(F)F ZINC000459739025 823258808 /nfs/dbraw/zinc/25/88/08/823258808.db2.gz YRKXBRYTTRLGGD-UHFFFAOYSA-N 1 0 391.256 4.479 20 30 GIEDRO N#CCCCOc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057177616 823259795 /nfs/dbraw/zinc/25/97/95/823259795.db2.gz WACUJWYAGSFXPW-UHFFFAOYSA-N 1 0 377.488 4.220 20 30 GIEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000571994903 823267146 /nfs/dbraw/zinc/26/71/46/823267146.db2.gz RANPANQAIJPGAZ-OXJNMPFZSA-N 1 0 392.528 4.267 20 30 GIEDRO Cc1cc(C)c(N2CC[C@H]([n+]3ccc(C(=O)c4ccccc4)cc3)C2=O)c(C)c1 ZINC000188671555 823283987 /nfs/dbraw/zinc/28/39/87/823283987.db2.gz URKGINYOTHXWJE-QFIPXVFZSA-N 1 0 385.487 4.108 20 30 GIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572171806 823294317 /nfs/dbraw/zinc/29/43/17/823294317.db2.gz LZSSVGSZKITGLA-CALCHBBNSA-N 1 0 393.491 4.130 20 30 GIEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122025013 823295115 /nfs/dbraw/zinc/29/51/15/823295115.db2.gz UTPZBNZJETWLRB-GOSISDBHSA-N 1 0 378.582 4.174 20 30 GIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007855235 817939762 /nfs/dbraw/zinc/93/97/62/817939762.db2.gz GBDYLBXEXPGUQA-GOSISDBHSA-N 1 0 382.533 4.003 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)sc2c1CCCCC2 ZINC000016591201 818456809 /nfs/dbraw/zinc/45/68/09/818456809.db2.gz QBYKHQXOVOMCNF-CYBMUJFWSA-N 1 0 399.482 4.492 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000572493342 823349176 /nfs/dbraw/zinc/34/91/76/823349176.db2.gz OGKOUISVRYSSOM-HNAYVOBHSA-N 1 0 386.565 4.323 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)ccc1OC ZINC000057964845 823351195 /nfs/dbraw/zinc/35/11/95/823351195.db2.gz IALOIOLKASSZDX-UHFFFAOYSA-N 1 0 398.572 4.493 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c1C#N ZINC000460350066 823360752 /nfs/dbraw/zinc/36/07/52/823360752.db2.gz JEPUAUVFZDIDSX-PZJWPPBQSA-N 1 0 396.535 4.361 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686396 818843854 /nfs/dbraw/zinc/84/38/54/818843854.db2.gz LZBWAVYEVGNBLQ-UHFFFAOYSA-O 1 0 389.544 4.422 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686858 818844442 /nfs/dbraw/zinc/84/44/42/818844442.db2.gz ILEISMUROKGOEH-UHFFFAOYSA-O 1 0 381.565 4.309 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)s1 ZINC000022695859 818846665 /nfs/dbraw/zinc/84/66/65/818846665.db2.gz DCPSVKQBCLPZJR-UHFFFAOYSA-O 1 0 397.545 4.196 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)c1 ZINC000022728380 818851256 /nfs/dbraw/zinc/85/12/56/818851256.db2.gz ZJCAEVDCVGQADE-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccccc2)cc1 ZINC000022731292 818852043 /nfs/dbraw/zinc/85/20/43/818852043.db2.gz DAIMEWYDEBJAFO-UHFFFAOYSA-O 1 0 383.518 4.404 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccccc1CC ZINC000022796603 818861857 /nfs/dbraw/zinc/86/18/57/818861857.db2.gz KZPIEIKFFKXGLV-UHFFFAOYSA-O 1 0 379.958 4.356 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460384098 823371160 /nfs/dbraw/zinc/37/11/60/823371160.db2.gz XMGOEMMVOKKZSL-QFIPXVFZSA-N 1 0 393.579 4.208 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177105227 823372633 /nfs/dbraw/zinc/37/26/33/823372633.db2.gz KHCSQRWRRIRYDY-DOTOQJQBSA-N 1 0 377.513 4.064 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177105214 823372720 /nfs/dbraw/zinc/37/27/20/823372720.db2.gz KHCSQRWRRIRYDY-NVXWUHKLSA-N 1 0 377.513 4.064 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)c1 ZINC000023603520 818963282 /nfs/dbraw/zinc/96/32/82/818963282.db2.gz VEZOHOAXLBGAFI-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678929 818973155 /nfs/dbraw/zinc/97/31/55/818973155.db2.gz GSPJSTAQYUKWTF-SQJMNOBHSA-N 1 0 398.462 4.423 20 30 GIEDRO CC1(C)CN(C(=O)C2(C#N)CCCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000572724845 823389275 /nfs/dbraw/zinc/38/92/75/823389275.db2.gz YYPOZQOPJNMCDS-OAQYLSRUSA-N 1 0 379.548 4.220 20 30 GIEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177235439 823406374 /nfs/dbraw/zinc/40/63/74/823406374.db2.gz WMKCCOHOKHRXEJ-MRXNPFEDSA-N 1 0 384.405 4.331 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476799 823425782 /nfs/dbraw/zinc/42/57/82/823425782.db2.gz BSUQOAYGYLKGTF-KRWDZBQOSA-N 1 0 378.476 4.156 20 30 GIEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460548954 823427897 /nfs/dbraw/zinc/42/78/97/823427897.db2.gz UMPZVJPZWIDPNF-UHFFFAOYSA-N 1 0 383.515 4.115 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000572970126 823428025 /nfs/dbraw/zinc/42/80/25/823428025.db2.gz SVDWVVCTUNSPCD-UHFFFAOYSA-N 1 0 390.487 4.348 20 30 GIEDRO C[C@@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000122892839 823430016 /nfs/dbraw/zinc/43/00/16/823430016.db2.gz GXTDAPVPLOFABI-LBPRGKRZSA-N 1 0 392.322 4.404 20 30 GIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460564573 823434709 /nfs/dbraw/zinc/43/47/09/823434709.db2.gz MKENFFCZBDKBHZ-LJQANCHMSA-N 1 0 383.540 4.186 20 30 GIEDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000026312683 820081393 /nfs/dbraw/zinc/08/13/93/820081393.db2.gz MQPXGBKHJPVECH-QHCPKHFHSA-N 1 0 379.504 4.295 20 30 GIEDRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000026329349 820084833 /nfs/dbraw/zinc/08/48/33/820084833.db2.gz MCDLZTBPSKYBTL-HSZRJFAPSA-N 1 0 389.524 4.347 20 30 GIEDRO N#CCCn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(-c2ccccc2)n1 ZINC000189584776 823451778 /nfs/dbraw/zinc/45/17/78/823451778.db2.gz BPLXAHQOWJPZJE-FQEVSTJZSA-N 1 0 376.435 4.216 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1C#N ZINC000026472696 820101650 /nfs/dbraw/zinc/10/16/50/820101650.db2.gz QJEBMEXKLBDPED-MAUKXSAKSA-N 1 0 382.508 4.067 20 30 GIEDRO O=C(c1cc2ccccc2o1)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000027200026 820209162 /nfs/dbraw/zinc/20/91/62/820209162.db2.gz RBNYINMSQGQOIF-UHFFFAOYSA-O 1 0 387.484 4.449 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCc2ccccc2)cc1 ZINC000027200203 820209244 /nfs/dbraw/zinc/20/92/44/820209244.db2.gz IYRTWUXDQIIBAH-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2CCCCC2)c1 ZINC000027329641 820225095 /nfs/dbraw/zinc/22/50/95/820225095.db2.gz VPEYAHAKLTVFJV-UHFFFAOYSA-O 1 0 389.491 4.422 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1 ZINC000027329505 820225202 /nfs/dbraw/zinc/22/52/02/820225202.db2.gz NWUOKWBGSMBYIQ-UHFFFAOYSA-O 1 0 383.537 4.234 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(C)c1 ZINC000027481662 820250588 /nfs/dbraw/zinc/25/05/88/820250588.db2.gz PKJVERFQNLCUEK-UHFFFAOYSA-O 1 0 393.985 4.217 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C)cc2)c1 ZINC000027485409 820251245 /nfs/dbraw/zinc/25/12/45/820251245.db2.gz NAGFBWPQHRPVTD-FXAWDEMLSA-O 1 0 397.564 4.398 20 30 GIEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000027487571 820252065 /nfs/dbraw/zinc/25/20/65/820252065.db2.gz VZPGAYIXMAZZOO-YLJYHZDGSA-O 1 0 396.580 4.147 20 30 GIEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1 ZINC000027487036 820252208 /nfs/dbraw/zinc/25/22/08/820252208.db2.gz BXTVAPROVKHZSD-KSSFIOAISA-O 1 0 389.491 4.359 20 30 GIEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000573219211 823467509 /nfs/dbraw/zinc/46/75/09/823467509.db2.gz IXTJWGDLQWQBOA-ROUUACIJSA-N 1 0 386.952 4.084 20 30 GIEDRO C=CCN1CC[C@@H]([N@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O ZINC000410381509 823481866 /nfs/dbraw/zinc/48/18/66/823481866.db2.gz LYWZOJNTJORHRJ-JOCHJYFZSA-N 1 0 378.516 4.360 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1Cl ZINC000029754497 820511343 /nfs/dbraw/zinc/51/13/43/820511343.db2.gz HYIIZLNQFKWORF-UZLBHIALSA-N 1 0 399.922 4.178 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000177540226 823486205 /nfs/dbraw/zinc/48/62/05/823486205.db2.gz ADNINXNSEPNJGL-SFHVURJKSA-N 1 0 378.476 4.156 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000177540305 823486261 /nfs/dbraw/zinc/48/62/61/823486261.db2.gz QXQIUXSDKXSWGY-IBGZPJMESA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410545209 823503195 /nfs/dbraw/zinc/50/31/95/823503195.db2.gz JUNUMUUHYOYJPR-XXBNENTESA-N 1 0 389.543 4.154 20 30 GIEDRO CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060348992 823518006 /nfs/dbraw/zinc/51/80/06/823518006.db2.gz NLQMBSGVSJUDRT-JOCHJYFZSA-N 1 0 376.504 4.467 20 30 GIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)CC1 ZINC000177751175 823520530 /nfs/dbraw/zinc/52/05/30/823520530.db2.gz FRUHWEGQDXHALV-UHFFFAOYSA-N 1 0 396.922 4.019 20 30 GIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000190023561 823527485 /nfs/dbraw/zinc/52/74/85/823527485.db2.gz GLCHMKHZOVOTKG-ZYSHUDEJSA-N 1 0 377.529 4.115 20 30 GIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000177821907 823531037 /nfs/dbraw/zinc/53/10/37/823531037.db2.gz AOWHXVYJIBHKNB-QGZVFWFLSA-N 1 0 381.545 4.361 20 30 GIEDRO CC[N@H+](CC(=O)NCCSc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477538 823532557 /nfs/dbraw/zinc/53/25/57/823532557.db2.gz XBHBSNGDQZBCOL-GOSISDBHSA-N 1 0 381.545 4.158 20 30 GIEDRO CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477438 823532616 /nfs/dbraw/zinc/53/26/16/823532616.db2.gz CTOBQPHMWUBVCI-LJQANCHMSA-N 1 0 377.532 4.423 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000123719713 823534748 /nfs/dbraw/zinc/53/47/48/823534748.db2.gz SXGXXCPGCDKHEN-UHFFFAOYSA-O 1 0 387.956 4.445 20 30 GIEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857102 823537165 /nfs/dbraw/zinc/53/71/65/823537165.db2.gz YVSRQRFMUIUSSJ-LBPRGKRZSA-N 1 0 379.357 4.223 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000042813546 821334959 /nfs/dbraw/zinc/33/49/59/821334959.db2.gz XFEZUCXZKIPTLG-QHCPKHFHSA-N 1 0 390.531 4.317 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307176 821390031 /nfs/dbraw/zinc/39/00/31/821390031.db2.gz KWHVSFGIEAIYDM-OAQYLSRUSA-N 1 0 396.922 4.190 20 30 GIEDRO CC(C)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043551646 821425734 /nfs/dbraw/zinc/42/57/34/821425734.db2.gz BSAYBKWKBYPYPA-UHFFFAOYSA-N 1 0 376.504 4.421 20 30 GIEDRO C#CCOc1ccc(C[NH+]2CCC(N(CCC)C(=O)c3cccs3)CC2)cc1 ZINC000180749928 821433207 /nfs/dbraw/zinc/43/32/07/821433207.db2.gz BPZKMELWLTWNFS-UHFFFAOYSA-N 1 0 396.556 4.277 20 30 GIEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771809 821446029 /nfs/dbraw/zinc/44/60/29/821446029.db2.gz UMKGUNKIZZEINU-UNMCSNQZSA-N 1 0 381.907 4.022 20 30 GIEDRO CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000180781922 821454679 /nfs/dbraw/zinc/45/46/79/821454679.db2.gz AOISXRBAMUTTFR-IBGZPJMESA-N 1 0 396.560 4.287 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000180810460 821472282 /nfs/dbraw/zinc/47/22/82/821472282.db2.gz LINQDCASAQPCMN-QAPCUYQASA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)ccc1OC ZINC000180814024 821474168 /nfs/dbraw/zinc/47/41/68/821474168.db2.gz ALTWFPYXBZWCFG-MAUKXSAKSA-N 1 0 385.483 4.432 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)ccc1OC ZINC000180813289 821474207 /nfs/dbraw/zinc/47/42/07/821474207.db2.gz WKBUEURYEOGUBS-HKUYNNGSSA-N 1 0 395.503 4.192 20 30 GIEDRO CC[NH+](CC)CCOc1ccc(CNc2snc(Cl)c2C#N)cc1OC ZINC000180984673 821574616 /nfs/dbraw/zinc/57/46/16/821574616.db2.gz MWTWFADFHPKQLK-UHFFFAOYSA-N 1 0 394.928 4.009 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000044557609 821608781 /nfs/dbraw/zinc/60/87/81/821608781.db2.gz BTJVJJOYIUWJAP-UHFFFAOYSA-O 1 0 385.553 4.217 20 30 GIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000181139939 821658801 /nfs/dbraw/zinc/65/88/01/821658801.db2.gz MMWSNDZMYWNLBS-BJKOFHAPSA-N 1 0 390.458 4.313 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000044803204 821665211 /nfs/dbraw/zinc/66/52/11/821665211.db2.gz PJCMYSKCGKFCAA-NEPJUHHUSA-N 1 0 393.821 4.491 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc1 ZINC000045014026 821691099 /nfs/dbraw/zinc/69/10/99/821691099.db2.gz JAEGYIHYWLXDSB-UHFFFAOYSA-N 1 0 395.934 4.269 20 30 GIEDRO CC(C)c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045013953 821691123 /nfs/dbraw/zinc/69/11/23/821691123.db2.gz XQHIKYXLAOSFRK-UHFFFAOYSA-N 1 0 389.543 4.349 20 30 GIEDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214218 821701407 /nfs/dbraw/zinc/70/14/07/821701407.db2.gz RMZKBOGLTHVOQT-ZDUSSCGKSA-N 1 0 395.812 4.112 20 30 GIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181347094 821776977 /nfs/dbraw/zinc/77/69/77/821776977.db2.gz YVFQJLSGYGUVJI-JOCHJYFZSA-N 1 0 399.498 4.204 20 30 GIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCCC1 ZINC000181397060 821805944 /nfs/dbraw/zinc/80/59/44/821805944.db2.gz WTENTQKNPIHTCB-AVRDEDQJSA-N 1 0 379.504 4.085 20 30 GIEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000181407783 821809746 /nfs/dbraw/zinc/80/97/46/821809746.db2.gz ZMCVWHYISLHAAQ-WZONZLPQSA-N 1 0 379.504 4.085 20 30 GIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181414768 821813257 /nfs/dbraw/zinc/81/32/57/821813257.db2.gz CEOCUNJPCMYBHA-UHFFFAOYSA-N 1 0 399.542 4.115 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000181425106 821820341 /nfs/dbraw/zinc/82/03/41/821820341.db2.gz UDFWDEMRKZSHMG-UHFFFAOYSA-N 1 0 389.421 4.211 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(O)c(OC)c1 ZINC000181466376 821839265 /nfs/dbraw/zinc/83/92/65/821839265.db2.gz YFTPSAXFRBCIEU-MRXNPFEDSA-N 1 0 395.425 4.182 20 30 GIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000181546333 821875789 /nfs/dbraw/zinc/87/57/89/821875789.db2.gz OPYOCVCWARUTSG-MRXNPFEDSA-N 1 0 394.519 4.477 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000181596896 821896241 /nfs/dbraw/zinc/89/62/41/821896241.db2.gz ZVBZCYPUXDEYNA-OAQYLSRUSA-N 1 0 381.520 4.488 20 30 GIEDRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000181638105 821916809 /nfs/dbraw/zinc/91/68/09/821916809.db2.gz ZLKJKNQASZFHGW-MBSDFSHPSA-N 1 0 375.516 4.394 20 30 GIEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000181638154 821917111 /nfs/dbraw/zinc/91/71/11/821917111.db2.gz ZLKJKNQASZFHGW-WZONZLPQSA-N 1 0 375.516 4.394 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181653521 821924920 /nfs/dbraw/zinc/92/49/20/821924920.db2.gz ZRXGGDDNYLDFMV-QZTJIDSGSA-N 1 0 376.504 4.226 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181734817 821968133 /nfs/dbraw/zinc/96/81/33/821968133.db2.gz SYCWUPYIHDRETP-AEFFLSMTSA-N 1 0 385.458 4.182 20 30 GIEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000181768680 821984729 /nfs/dbraw/zinc/98/47/29/821984729.db2.gz PPMGGTIOQSAVBK-UHFFFAOYSA-N 1 0 394.519 4.136 20 30 GIEDRO CC[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000181874377 822022740 /nfs/dbraw/zinc/02/27/40/822022740.db2.gz OPESABVAALEFLB-JOCHJYFZSA-N 1 0 381.495 4.109 20 30 GIEDRO CC[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000181874357 822023097 /nfs/dbraw/zinc/02/30/97/822023097.db2.gz OPESABVAALEFLB-QFIPXVFZSA-N 1 0 381.495 4.109 20 30 GIEDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1OC(F)F ZINC000181887302 822026829 /nfs/dbraw/zinc/02/68/29/822026829.db2.gz DNIGNTNCHCJWMC-AWEZNQCLSA-N 1 0 376.403 4.440 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3sccc3Br)CC2)cc1 ZINC000181926702 822038157 /nfs/dbraw/zinc/03/81/57/822038157.db2.gz IBIQOTOKZVDAGL-UHFFFAOYSA-N 1 0 390.350 4.136 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955878 822045383 /nfs/dbraw/zinc/04/53/83/822045383.db2.gz MKIOXXNJODGNCG-LPHOPBHVSA-N 1 0 379.460 4.129 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3OC3CCC3)CC2)cc1 ZINC000181973641 822049905 /nfs/dbraw/zinc/04/99/05/822049905.db2.gz VQJKIUINRAZQCC-UHFFFAOYSA-N 1 0 375.516 4.244 20 30 GIEDRO COc1cccc(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182055954 822076597 /nfs/dbraw/zinc/07/65/97/822076597.db2.gz UYMSFIPGSVGQOU-UHFFFAOYSA-N 1 0 377.532 4.099 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000177992794 822273618 /nfs/dbraw/zinc/27/36/18/822273618.db2.gz CETFLGILBLSJEQ-UHFFFAOYSA-N 1 0 390.684 4.014 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000178021506 822286194 /nfs/dbraw/zinc/28/61/94/822286194.db2.gz LBEKOZJUKCPIOK-QGZVFWFLSA-N 1 0 378.476 4.156 20 30 GIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182650714 822339009 /nfs/dbraw/zinc/33/90/09/822339009.db2.gz FDCFSZNLLPRCNI-UHFFFAOYSA-N 1 0 377.488 4.215 20 30 GIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000453447274 822364383 /nfs/dbraw/zinc/36/43/83/822364383.db2.gz ABVUNMWKVVCZPR-INIZCTEOSA-N 1 0 383.540 4.042 20 30 GIEDRO N#CCC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000178755540 822407297 /nfs/dbraw/zinc/40/72/97/822407297.db2.gz FVDMVIVTDNRXRP-KRWDZBQOSA-N 1 0 387.277 4.355 20 30 GIEDRO N#CCC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000178761296 822407870 /nfs/dbraw/zinc/40/78/70/822407870.db2.gz SEWHGUQJYRYEPT-JOCHJYFZSA-N 1 0 376.504 4.127 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000045777870 822412648 /nfs/dbraw/zinc/41/26/48/822412648.db2.gz NPHXXUAIMBBTBR-UHFFFAOYSA-N 1 0 390.531 4.132 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098718 822424203 /nfs/dbraw/zinc/42/42/03/822424203.db2.gz VVOIKMNNTPBDPY-IFXJQAMLSA-N 1 0 385.414 4.006 20 30 GIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C1 ZINC000454329554 822458747 /nfs/dbraw/zinc/45/87/47/822458747.db2.gz SMLKQMFUJQXVLO-WEMPKCCASA-N 1 0 382.552 4.046 20 30 GIEDRO N#Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000454356495 822461318 /nfs/dbraw/zinc/46/13/18/822461318.db2.gz GZZTWAHATZZNGN-QHCPKHFHSA-N 1 0 390.531 4.183 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000454363266 822462377 /nfs/dbraw/zinc/46/23/77/822462377.db2.gz CQMJHJODCGQPQZ-UHFFFAOYSA-N 1 0 375.516 4.039 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(C#N)cc3)sc2C1 ZINC000046529224 822481828 /nfs/dbraw/zinc/48/18/28/822481828.db2.gz NUTDYBPCMZBYCH-HNNXBMFYSA-N 1 0 392.528 4.077 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000454480017 822482074 /nfs/dbraw/zinc/48/20/74/822482074.db2.gz GPEKUOMBCZFDOL-BEFAXECRSA-N 1 0 382.895 4.069 20 30 GIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463094 822486373 /nfs/dbraw/zinc/48/63/73/822486373.db2.gz LCXUFBLBLCRYLK-INIZCTEOSA-N 1 0 389.459 4.450 20 30 GIEDRO O=C1CCCN1C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000179557177 822503325 /nfs/dbraw/zinc/50/33/25/822503325.db2.gz UPXZXQTWOVVBBA-FQEVSTJZSA-N 1 0 386.417 4.010 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179592595 822508987 /nfs/dbraw/zinc/50/89/87/822508987.db2.gz JFPOXCVFOFLTCS-LLVKDONJSA-N 1 0 379.432 4.127 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000183718536 822516454 /nfs/dbraw/zinc/51/64/54/822516454.db2.gz FOFQHXUXOPVFDF-HNNXBMFYSA-N 1 0 382.533 4.112 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179640813 822518180 /nfs/dbraw/zinc/51/81/80/822518180.db2.gz JKTHYXFBJMMXCK-UHFFFAOYSA-N 1 0 388.515 4.065 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cccc2F)s1 ZINC000047010638 822537614 /nfs/dbraw/zinc/53/76/14/822537614.db2.gz DEJVRRVDSHDZRJ-UHFFFAOYSA-N 1 0 381.476 4.116 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000047053043 822540727 /nfs/dbraw/zinc/54/07/27/822540727.db2.gz RKHZFRHTJFOVSD-KRWDZBQOSA-N 1 0 384.549 4.234 20 30 GIEDRO CCOCCOCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179787043 822553011 /nfs/dbraw/zinc/55/30/11/822553011.db2.gz VULMFRTWXZDNMV-UHFFFAOYSA-N 1 0 393.531 4.188 20 30 GIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000179881017 822570816 /nfs/dbraw/zinc/57/08/16/822570816.db2.gz HWLODWNWJJHUIG-QGZVFWFLSA-N 1 0 378.472 4.081 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000179945700 822582661 /nfs/dbraw/zinc/58/26/61/822582661.db2.gz GSHAEQGOJZXJQV-MRXNPFEDSA-N 1 0 393.936 4.462 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccsc1 ZINC000180043885 822603349 /nfs/dbraw/zinc/60/33/49/822603349.db2.gz CGVPFGKTBHUSHT-CRAIPNDOSA-N 1 0 386.521 4.244 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000184270620 822606499 /nfs/dbraw/zinc/60/64/99/822606499.db2.gz HYFHJKLRZKSHMU-KRWDZBQOSA-N 1 0 387.524 4.104 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000184303887 822611233 /nfs/dbraw/zinc/61/12/33/822611233.db2.gz QVCQGEWWOJSQHF-GUXCAODWSA-N 1 0 398.532 4.244 20 30 GIEDRO C[C@@H]([NH2+]C(C)(C)CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180212256 822640436 /nfs/dbraw/zinc/64/04/36/822640436.db2.gz XOFZIIUWLDPYGU-GOSISDBHSA-N 1 0 387.531 4.178 20 30 GIEDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(-c2ccc(C#N)cc2)n1 ZINC000180255438 822649230 /nfs/dbraw/zinc/64/92/30/822649230.db2.gz KDOYRYJPVRJVGW-UHFFFAOYSA-N 1 0 389.890 4.426 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455445945 822655627 /nfs/dbraw/zinc/65/56/27/822655627.db2.gz ZRXNSSKWVONTCF-JOCHJYFZSA-N 1 0 381.564 4.242 20 30 GIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1OC ZINC000180342195 822666707 /nfs/dbraw/zinc/66/67/07/822666707.db2.gz ARNRNXAEQNKRSK-CQSZACIVSA-N 1 0 387.505 4.097 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000180362799 822670691 /nfs/dbraw/zinc/67/06/91/822670691.db2.gz CWCJSKJHFHHUQQ-UTKZUKDTSA-N 1 0 382.504 4.376 20 30 GIEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000455585609 822678864 /nfs/dbraw/zinc/67/88/64/822678864.db2.gz BMFPPZBLPIYHKQ-UHFFFAOYSA-N 1 0 377.532 4.284 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 ZINC000048776989 822682433 /nfs/dbraw/zinc/68/24/33/822682433.db2.gz PIMQXURPMDXGEU-UHFFFAOYSA-N 1 0 388.467 4.444 20 30 GIEDRO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000455619425 822685269 /nfs/dbraw/zinc/68/52/69/822685269.db2.gz RMWVQUMOJHIIJC-GOSISDBHSA-N 1 0 390.531 4.460 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455673965 822697216 /nfs/dbraw/zinc/69/72/16/822697216.db2.gz YQLVQDXCNCAFBM-UGKGYDQZSA-N 1 0 381.564 4.240 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455673962 822697286 /nfs/dbraw/zinc/69/72/86/822697286.db2.gz YQLVQDXCNCAFBM-KNQAVFIVSA-N 1 0 381.564 4.240 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455876459 822741067 /nfs/dbraw/zinc/74/10/67/822741067.db2.gz OMOFGCJKJRKAOX-XXBNENTESA-N 1 0 389.543 4.296 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccc(CC#N)c2)cc1 ZINC000051066921 822745951 /nfs/dbraw/zinc/74/59/51/822745951.db2.gz VSAJLBIVPLRLSS-UHFFFAOYSA-N 1 0 383.495 4.411 20 30 GIEDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cn1 ZINC000174279242 822761991 /nfs/dbraw/zinc/76/19/91/822761991.db2.gz AGAKEPICGPMJLV-UHFFFAOYSA-N 1 0 389.455 4.443 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000455998594 822764138 /nfs/dbraw/zinc/76/41/38/822764138.db2.gz PSBCRAUTZAQXAE-UHFFFAOYSA-N 1 0 381.564 4.242 20 30 GIEDRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000456021644 822767711 /nfs/dbraw/zinc/76/77/11/822767711.db2.gz SDKDNOJKPAAQAQ-UHFFFAOYSA-N 1 0 395.591 4.488 20 30 GIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456255603 822790648 /nfs/dbraw/zinc/79/06/48/822790648.db2.gz CIBUQKHFHKPOPJ-IRLDBZIGSA-N 1 0 377.488 4.149 20 30 GIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000185575645 822798249 /nfs/dbraw/zinc/79/82/49/822798249.db2.gz CDJUNGGCMLLYLX-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H]2CCCC[C@H]2C)c1 ZINC000185580291 822798712 /nfs/dbraw/zinc/79/87/12/822798712.db2.gz FNHMOSLWJHMYBY-YLJYHZDGSA-O 1 0 392.548 4.261 20 30 GIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000052464007 822800686 /nfs/dbraw/zinc/80/06/86/822800686.db2.gz TWMXMGDQEGAQOR-GAJHUEQPSA-N 1 0 380.536 4.099 20 30 GIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)ccc1Cl ZINC000185641672 822805927 /nfs/dbraw/zinc/80/59/27/822805927.db2.gz UHKKJAFKXQUQDO-QFBILLFUSA-N 1 0 397.906 4.049 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052661880 822806785 /nfs/dbraw/zinc/80/67/85/822806785.db2.gz ZFYFUKXASYSKEB-NRFANRHFSA-N 1 0 399.560 4.291 20 30 GIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000052710611 822808006 /nfs/dbraw/zinc/80/80/06/822808006.db2.gz RVBQEZMYQDWCBY-NWDGAFQWSA-N 1 0 375.831 4.037 20 30 GIEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)cc1OCCCC#N ZINC000174589025 822808944 /nfs/dbraw/zinc/80/89/44/822808944.db2.gz FHEJADNEMNNKJE-NRFANRHFSA-N 1 0 393.531 4.445 20 30 GIEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1ccoc1C ZINC000185682351 822809615 /nfs/dbraw/zinc/80/96/15/822809615.db2.gz JSQZLVHYWUMCNH-UHFFFAOYSA-N 1 0 386.496 4.396 20 30 GIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C12CCCC2 ZINC000174653994 822818328 /nfs/dbraw/zinc/81/83/28/822818328.db2.gz RFKIZMFMVYYHIQ-SFTDATJTSA-N 1 0 378.520 4.291 20 30 GIEDRO C=C(C)[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185846670 822826941 /nfs/dbraw/zinc/82/69/41/822826941.db2.gz LQMUQYJOYAEMIF-HXUWFJFHSA-N 1 0 377.479 4.242 20 30 GIEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185886591 822830080 /nfs/dbraw/zinc/83/00/80/822830080.db2.gz TXIZVUZBWBGWJW-XJABCFGWSA-N 1 0 382.529 4.160 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000185924573 822834091 /nfs/dbraw/zinc/83/40/91/822834091.db2.gz YDNHMGRSLRFYEI-CYBMUJFWSA-N 1 0 382.411 4.103 20 30 GIEDRO CC#CCCCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000185950196 822836442 /nfs/dbraw/zinc/83/64/42/822836442.db2.gz SFHMQRATPKKYMP-IBGZPJMESA-N 1 0 380.454 4.093 20 30 GIEDRO C=CCSc1ccccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077331 822850626 /nfs/dbraw/zinc/85/06/26/822850626.db2.gz ZZYAUNGIUVSLOU-UHFFFAOYSA-N 1 0 386.483 4.454 20 30 GIEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000457103274 822853406 /nfs/dbraw/zinc/85/34/06/822853406.db2.gz ARJGERZVEZTPIU-FQEVSTJZSA-N 1 0 377.488 4.100 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(OC(F)F)c1 ZINC000569007304 822868991 /nfs/dbraw/zinc/86/89/91/822868991.db2.gz VCPJUCRWPKTPDX-UHFFFAOYSA-N 1 0 390.405 4.180 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000569254830 822897210 /nfs/dbraw/zinc/89/72/10/822897210.db2.gz WUPCSNKIIGCFHD-SFHVURJKSA-N 1 0 393.531 4.199 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCSC4(CCOCC4)C3)c2)c1 ZINC000186486474 822903179 /nfs/dbraw/zinc/90/31/79/822903179.db2.gz MCNAHFIJDHWKJK-UHFFFAOYSA-N 1 0 394.540 4.235 20 30 GIEDRO O=C(c1cc(F)ccc1F)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027688 822932316 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C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186958887 822987269 /nfs/dbraw/zinc/98/72/69/822987269.db2.gz DNSLRQLSVZSJTC-UHFFFAOYSA-N 1 0 386.446 4.266 20 30 GIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000569951311 822989254 /nfs/dbraw/zinc/98/92/54/822989254.db2.gz POVOZVULUFYAFK-ZHRRBRCNSA-N 1 0 383.467 4.323 20 30 GIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000175714353 823025802 /nfs/dbraw/zinc/02/58/02/823025802.db2.gz IVVIVKKMPDHQBI-UHFFFAOYSA-N 1 0 386.417 4.083 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c(C(F)(F)F)c1 ZINC000570326169 823026104 /nfs/dbraw/zinc/02/61/04/823026104.db2.gz MVHKSOVSOOLXSC-INIZCTEOSA-N 1 0 393.796 4.126 20 30 GIEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000175735774 823029185 /nfs/dbraw/zinc/02/91/85/823029185.db2.gz LCGMZNUTSDTMRZ-QFIPXVFZSA-N 1 0 393.487 4.082 20 30 GIEDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1 ZINC000123802202 823541963 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C[C@@H](CCC#N)[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000411607291 823590504 /nfs/dbraw/zinc/59/05/04/823590504.db2.gz CRVSQJICNVMOAU-GOEBONIOSA-N 1 0 381.314 4.131 20 30 GIEDRO CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190612272 823591492 /nfs/dbraw/zinc/59/14/92/823591492.db2.gz BECIWYXMOAYPRQ-OXQOHEQNSA-N 1 0 379.529 4.122 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1C(F)(F)F ZINC000190613264 823591721 /nfs/dbraw/zinc/59/17/21/823591721.db2.gz LSOGZHXBYUNNFW-AUUYWEPGSA-N 1 0 387.405 4.029 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000190625162 823592879 /nfs/dbraw/zinc/59/28/79/823592879.db2.gz RBTUGAFOXWDNCR-LIRRHRJNSA-N 1 0 393.874 4.410 20 30 GIEDRO N#Cc1ccc(CSCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000061399811 823595454 /nfs/dbraw/zinc/59/54/54/823595454.db2.gz ASPKRHDFCCNAJI-UHFFFAOYSA-N 1 0 385.577 4.096 20 30 GIEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000461243749 823603203 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GIEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000124977150 823642142 /nfs/dbraw/zinc/64/21/42/823642142.db2.gz GKCLNKBYKUJUST-HNNXBMFYSA-N 1 0 383.879 4.076 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300307 823660924 /nfs/dbraw/zinc/66/09/24/823660924.db2.gz AFWRNQFUGSHQPD-UHFFFAOYSA-N 1 0 378.863 4.100 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063402080 823668344 /nfs/dbraw/zinc/66/83/44/823668344.db2.gz WAXPZDYZCFRPBG-BGYRXZFFSA-N 1 0 382.552 4.014 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191344157 823674246 /nfs/dbraw/zinc/67/42/46/823674246.db2.gz ZCXGXWKZNIOGAS-UHFFFAOYSA-N 1 0 384.483 4.027 20 30 GIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350954 823675180 /nfs/dbraw/zinc/67/51/80/823675180.db2.gz SRYBZAWPIAUJDT-UHFFFAOYSA-N 1 0 397.357 4.361 20 30 GIEDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C#N)cc1 ZINC000063504300 823676566 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ZINC000461910198 823750511 /nfs/dbraw/zinc/75/05/11/823750511.db2.gz URSVUQVOWUXAPD-MOPGFXCFSA-N 1 0 375.516 4.210 20 30 GIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506608 823750909 /nfs/dbraw/zinc/75/09/09/823750909.db2.gz PHNWUQCSOPRDSH-TYCQWZJGSA-N 1 0 397.906 4.091 20 30 GIEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000461954298 823770361 /nfs/dbraw/zinc/77/03/61/823770361.db2.gz CMTKWEHQVSVBAW-DHIUTWEWSA-N 1 0 390.531 4.070 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000165470780 823849791 /nfs/dbraw/zinc/84/97/91/823849791.db2.gz JKXVJPRQEZJYBZ-IBGZPJMESA-N 1 0 398.304 4.486 20 30 GIEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064614066 823852892 /nfs/dbraw/zinc/85/28/92/823852892.db2.gz SXMFOEYXZJOMQT-UHFFFAOYSA-N 1 0 395.503 4.406 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1F ZINC000192088320 823856197 /nfs/dbraw/zinc/85/61/97/823856197.db2.gz MJORUVVCHDZUFK-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1 ZINC000165848117 823863990 /nfs/dbraw/zinc/86/39/90/823863990.db2.gz HVNNMJLLUACZHR-UHFFFAOYSA-N 1 0 392.434 4.025 20 30 GIEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000064695378 823866320 /nfs/dbraw/zinc/86/63/20/823866320.db2.gz SZEJSMHIZKFJAB-AWEZNQCLSA-N 1 0 388.924 4.307 20 30 GIEDRO C[C@H](C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210885 823873634 /nfs/dbraw/zinc/87/36/34/823873634.db2.gz GZILZWKDHOGPCM-MBSDFSHPSA-N 1 0 389.543 4.251 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000064743582 823877990 /nfs/dbraw/zinc/87/79/90/823877990.db2.gz JXKLLXMLNZSMJN-IBGZPJMESA-N 1 0 398.894 4.179 20 30 GIEDRO C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462232563 823886073 /nfs/dbraw/zinc/88/60/73/823886073.db2.gz MOJLRPHWVZDAKY-IPJJNNNSSA-N 1 0 375.516 4.079 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192239780 823912638 /nfs/dbraw/zinc/91/26/38/823912638.db2.gz CRDHQJYRXNVVTN-UHFFFAOYSA-N 1 0 387.527 4.375 20 30 GIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC([NH2+]C4CCCC4)CC3)c2)cc1 ZINC000126781633 823949964 /nfs/dbraw/zinc/94/99/64/823949964.db2.gz WEZRRMAPUFGSGH-UHFFFAOYSA-N 1 0 389.499 4.487 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000414297857 823953773 /nfs/dbraw/zinc/95/37/73/823953773.db2.gz HROSYYLUOZYHAQ-RXVVDRJESA-N 1 0 384.545 4.065 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C#N)cc1 ZINC000575333450 823957313 /nfs/dbraw/zinc/95/73/13/823957313.db2.gz OXMOOKMMMQKKDV-CYBMUJFWSA-N 1 0 380.448 4.110 20 30 GIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3c(F)cccc3OC(F)F)CC2)cc1 ZINC000575450169 823971892 /nfs/dbraw/zinc/97/18/92/823971892.db2.gz TUBFMVBZRJXGPU-UHFFFAOYSA-N 1 0 375.394 4.057 20 30 GIEDRO CCOc1ccc([C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000126919862 823980840 /nfs/dbraw/zinc/98/08/40/823980840.db2.gz UKOLABQBLHPGCE-NZQKXSOJSA-N 1 0 382.504 4.376 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)ccc1OC ZINC000192445431 823995402 /nfs/dbraw/zinc/99/54/02/823995402.db2.gz QIYRFKJXYRIGIG-OALUTQOASA-N 1 0 380.488 4.032 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000127070873 824011084 /nfs/dbraw/zinc/01/10/84/824011084.db2.gz JMRVWULDTSYYEX-VQIMIIECSA-N 1 0 376.928 4.260 20 30 GIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000127092063 824015509 /nfs/dbraw/zinc/01/55/09/824015509.db2.gz DVCKWLQKHMSEGJ-XMMPIXPASA-N 1 0 390.527 4.385 20 30 GIEDRO CCN(CC)C(=O)c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000192614778 824046213 /nfs/dbraw/zinc/04/62/13/824046213.db2.gz HBJOVCCRKHIDGB-UHFFFAOYSA-N 1 0 390.531 4.117 20 30 GIEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414900390 824047495 /nfs/dbraw/zinc/04/74/95/824047495.db2.gz HGSZDPHVSDUTOW-HKUYNNGSSA-N 1 0 382.895 4.211 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1Cl ZINC000414903822 824048039 /nfs/dbraw/zinc/04/80/39/824048039.db2.gz LUAOACCXJGHQLT-LADRWXRNSA-N 1 0 382.895 4.387 20 30 GIEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414904304 824048563 /nfs/dbraw/zinc/04/85/63/824048563.db2.gz MRAYDXNVSAMKII-SFHVURJKSA-N 1 0 384.911 4.444 20 30 GIEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911910 824049034 /nfs/dbraw/zinc/04/90/34/824049034.db2.gz UEFZXJVHZJZVCO-KXBFYZLASA-N 1 0 382.895 4.069 20 30 GIEDRO CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000414914901 824049433 /nfs/dbraw/zinc/04/94/33/824049433.db2.gz YFCBLRIFZVRZPD-AZUAARDMSA-N 1 0 382.895 4.196 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000192639064 824053195 /nfs/dbraw/zinc/05/31/95/824053195.db2.gz GHIMGDPTAZWLGE-UHFFFAOYSA-N 1 0 379.435 4.303 20 30 GIEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414959893 824054341 /nfs/dbraw/zinc/05/43/41/824054341.db2.gz GAOMTBFDSRFUMX-UGSOOPFHSA-N 1 0 384.867 4.123 20 30 GIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164419031 718891422 /nfs/dbraw/zinc/89/14/22/718891422.db2.gz PIQGHALPTYNQOG-AWEZNQCLSA-N 1 0 389.277 4.163 20 30 GIEDRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025866 721801664 /nfs/dbraw/zinc/80/16/64/721801664.db2.gz PSTWJNJKZFEXMQ-DBVUQKKJSA-N 1 0 395.938 4.047 20 30 GIEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)cc1C#N ZINC001165018761 721831070 /nfs/dbraw/zinc/83/10/70/721831070.db2.gz AEVDWKAVZFSIDB-NBHGPNQESA-N 1 0 395.938 4.047 20 30 GIEDRO N#C[C@@H](c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nn1)c1ccccc1F ZINC001165050458 721972838 /nfs/dbraw/zinc/97/28/38/721972838.db2.gz YFLXHIHAOQANDK-UYAOXDASSA-N 1 0 393.510 4.116 20 30 GIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccc(Cl)cc2)c1 ZINC000570563907 823055685 /nfs/dbraw/zinc/05/56/85/823055685.db2.gz GTCQHUPNQFSPTH-ADLFWFRXSA-N 1 0 388.920 4.115 20 30 GIEDRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000120752203 823057293 /nfs/dbraw/zinc/05/72/93/823057293.db2.gz IWKKWPRYNIELKU-OAQYLSRUSA-N 1 0 380.492 4.184 20 30 GIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187445150 823064901 /nfs/dbraw/zinc/06/49/01/823064901.db2.gz LGTXPNPMHPJQRL-VBKZILBWSA-N 1 0 375.415 4.312 20 30 GIEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000458697699 823075439 /nfs/dbraw/zinc/07/54/39/823075439.db2.gz WJXKVUPXWITUMH-JOCHJYFZSA-N 1 0 378.520 4.025 20 30 GIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000187546889 823086510 /nfs/dbraw/zinc/08/65/10/823086510.db2.gz ZZBHHXUXOJRVBN-FQEVSTJZSA-N 1 0 396.487 4.390 20 30 GIEDRO CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458799965 823087712 /nfs/dbraw/zinc/08/77/12/823087712.db2.gz KSVHJLRAYZUSIK-DHIUTWEWSA-N 1 0 390.531 4.337 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458802101 823087900 /nfs/dbraw/zinc/08/79/00/823087900.db2.gz OTKNARXIEIDNTJ-QFIPXVFZSA-N 1 0 396.510 4.334 20 30 GIEDRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056216212 823105651 /nfs/dbraw/zinc/10/56/51/823105651.db2.gz JEPPGRWQPRUSPE-SFHVURJKSA-N 1 0 376.504 4.026 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000176084895 823115427 /nfs/dbraw/zinc/11/54/27/823115427.db2.gz WUKUEJHRHAHRIZ-QGZVFWFLSA-N 1 0 379.529 4.123 20 30 GIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000187716228 823119103 /nfs/dbraw/zinc/11/91/03/823119103.db2.gz VRTUTFGWSHWCJX-CQSZACIVSA-N 1 0 383.879 4.329 20 30 GIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000121272928 823152866 /nfs/dbraw/zinc/15/28/66/823152866.db2.gz LUSRHTUBLFQRTG-UHFFFAOYSA-N 1 0 397.544 4.145 20 30 GIEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(Br)c1O ZINC000459290046 823157088 /nfs/dbraw/zinc/15/70/88/823157088.db2.gz BGYSNIHBPIYVGH-UHFFFAOYSA-N 1 0 375.266 4.057 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(C#N)cc1 ZINC000571464988 823186782 /nfs/dbraw/zinc/18/67/82/823186782.db2.gz RUYGGSOOLGYSAQ-LBPRGKRZSA-N 1 0 398.438 4.249 20 30 GIEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000571485822 823189992 /nfs/dbraw/zinc/18/99/92/823189992.db2.gz OIIPOFQLQXKFQB-UHFFFAOYSA-N 1 0 389.421 4.349 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1F ZINC000121564272 823206665 /nfs/dbraw/zinc/20/66/65/823206665.db2.gz JNIFDMPILQPXQS-AWEZNQCLSA-N 1 0 389.858 4.085 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459527943 823212313 /nfs/dbraw/zinc/21/23/13/823212313.db2.gz QRNFDYVXHDYABX-UHFFFAOYSA-N 1 0 397.316 4.385 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571623062 823210914 /nfs/dbraw/zinc/21/09/14/823210914.db2.gz FVDOZLBJSYACEM-HDICACEKSA-N 1 0 376.460 4.017 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC000459535378 823214184 /nfs/dbraw/zinc/21/41/84/823214184.db2.gz GJTGKAUHGKDYMQ-FQEVSTJZSA-N 1 0 397.544 4.059 20 30 GIEDRO C=C[C@H](CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000121704249 823233798 /nfs/dbraw/zinc/23/37/98/823233798.db2.gz BSCXVONVMGUNNM-RZUBCFFCSA-N 1 0 384.564 4.084 20 30 GIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000121824776 823258349 /nfs/dbraw/zinc/25/83/49/823258349.db2.gz QCFDNTOKTDOMMT-SFHVURJKSA-N 1 0 393.556 4.455 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(C)cc1 ZINC000121864620 823265851 /nfs/dbraw/zinc/26/58/51/823265851.db2.gz HQDUYWZALQJYMD-UHFFFAOYSA-O 1 0 393.985 4.217 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000176715714 823275590 /nfs/dbraw/zinc/27/55/90/823275590.db2.gz CGDCDJZXUSAFBA-IAQYHMDHSA-N 1 0 379.407 4.095 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1C ZINC000007611265 817879412 /nfs/dbraw/zinc/87/94/12/817879412.db2.gz IUVOKGZLUNWNKF-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1F ZINC000008241088 818022119 /nfs/dbraw/zinc/02/21/19/818022119.db2.gz IRVHOBJRJWCYQR-LBPRGKRZSA-N 1 0 389.471 4.456 20 30 GIEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCN(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000011123617 818054229 /nfs/dbraw/zinc/05/42/29/818054229.db2.gz YAUAEUFBYHKQBD-JJIBRWJFSA-N 1 0 394.519 4.354 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000122190298 823319203 /nfs/dbraw/zinc/31/92/03/823319203.db2.gz OURPJBDZWNUWOA-UWJYYQICSA-N 1 0 377.488 4.071 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000122190198 823319214 /nfs/dbraw/zinc/31/92/14/823319214.db2.gz OURPJBDZWNUWOA-LAUBAEHRSA-N 1 0 377.488 4.071 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000572454692 823342650 /nfs/dbraw/zinc/34/26/50/823342650.db2.gz VRNCIWGSCWAJBK-ZNLUXHQJSA-N 1 0 382.529 4.024 20 30 GIEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000572508828 823351395 /nfs/dbraw/zinc/35/13/95/823351395.db2.gz NTWPCSAKOMMSGX-DENIHFKCSA-N 1 0 393.531 4.104 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022687656 818844292 /nfs/dbraw/zinc/84/42/92/818844292.db2.gz OJRAMFWZLLKBTA-UHFFFAOYSA-O 1 0 379.549 4.184 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687739 818844344 /nfs/dbraw/zinc/84/43/44/818844344.db2.gz VUWGJXOMUSDYSS-UHFFFAOYSA-O 1 0 397.564 4.385 20 30 GIEDRO O=C(c1ccccc1)C(C(=S)NC1CC1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022688247 818844447 /nfs/dbraw/zinc/84/44/47/818844447.db2.gz HPRYHIWYBGMUHS-UHFFFAOYSA-O 1 0 387.528 4.256 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000022735351 818853098 /nfs/dbraw/zinc/85/30/98/818853098.db2.gz MZKPBEJJGZPWJL-UHFFFAOYSA-O 1 0 389.544 4.362 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000022805397 818863094 /nfs/dbraw/zinc/86/30/94/818863094.db2.gz LYOCTZRJBCSMQN-UHFFFAOYSA-O 1 0 393.576 4.280 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022805969 818863133 /nfs/dbraw/zinc/86/31/33/818863133.db2.gz LOEYRSMEWITMMG-UHFFFAOYSA-O 1 0 381.565 4.354 20 30 GIEDRO C=CCc1cc(C[NH2+]Cc2ccc(Br)cc2OC)cc(OC)c1O ZINC000189185390 823372163 /nfs/dbraw/zinc/37/21/63/823372163.db2.gz ZPQJAOIYBQPYCJ-UHFFFAOYSA-N 1 0 392.293 4.190 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678923 818973126 /nfs/dbraw/zinc/97/31/26/818973126.db2.gz GSPJSTAQYUKWTF-OFVILXPXSA-N 1 0 398.462 4.423 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000122702976 823397577 /nfs/dbraw/zinc/39/75/77/823397577.db2.gz AYCXTZVKLZAMKL-ZIAGYGMSSA-N 1 0 391.393 4.177 20 30 GIEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177235427 823406396 /nfs/dbraw/zinc/40/63/96/823406396.db2.gz WMKCCOHOKHRXEJ-INIZCTEOSA-N 1 0 384.405 4.331 20 30 GIEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572829404 823406696 /nfs/dbraw/zinc/40/66/96/823406696.db2.gz DZKUHFYOLVVKFK-KRWDZBQOSA-N 1 0 383.458 4.014 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000177247882 823409068 /nfs/dbraw/zinc/40/90/68/823409068.db2.gz DMLJMDRHTXRZJH-KRWDZBQOSA-N 1 0 398.576 4.471 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460544732 823426515 /nfs/dbraw/zinc/42/65/15/823426515.db2.gz PGAMKXFGGXBNFT-PKOBYXMFSA-N 1 0 383.515 4.032 20 30 GIEDRO N#CCCC1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000572957758 823426586 /nfs/dbraw/zinc/42/65/86/823426586.db2.gz VNMQYVFRPDVBOD-UHFFFAOYSA-N 1 0 375.516 4.298 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573021099 823434656 /nfs/dbraw/zinc/43/46/56/823434656.db2.gz KRZHOWVZPTUYBH-GHTZIAJQSA-N 1 0 379.552 4.221 20 30 GIEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460568259 823436836 /nfs/dbraw/zinc/43/68/36/823436836.db2.gz UJTNLIAFCANUGX-HKUYNNGSSA-N 1 0 391.519 4.330 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1C#N ZINC000026472689 820101391 /nfs/dbraw/zinc/10/13/91/820101391.db2.gz QJEBMEXKLBDPED-CRAIPNDOSA-N 1 0 382.508 4.067 20 30 GIEDRO CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc2c(c1)CCCC2 ZINC000027057320 820186434 /nfs/dbraw/zinc/18/64/34/820186434.db2.gz VXBNZAQTBZXEDQ-UHFFFAOYSA-O 1 0 379.505 4.147 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027161775 820203481 /nfs/dbraw/zinc/20/34/81/820203481.db2.gz CCTNXPUZKGTUPU-UHFFFAOYSA-O 1 0 382.484 4.417 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2cccc(OC)c2)[n+]2ccccc2)c1 ZINC000027168969 820204475 /nfs/dbraw/zinc/20/44/75/820204475.db2.gz FVQVUWCPGVPVIO-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000027199910 820209095 /nfs/dbraw/zinc/20/90/95/820209095.db2.gz FJPLZUURBUIUGG-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C)cc1 ZINC000027323478 820224166 /nfs/dbraw/zinc/22/41/66/820224166.db2.gz FEAPYIITTSHXEB-UHFFFAOYSA-O 1 0 381.565 4.490 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccccc1CC ZINC000027325335 820224794 /nfs/dbraw/zinc/22/47/94/820224794.db2.gz KYMXKJYDFIBTFO-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1cccc(C)c1 ZINC000027329108 820225305 /nfs/dbraw/zinc/22/53/05/820225305.db2.gz ORWMIMHOLPBODN-UHFFFAOYSA-O 1 0 383.537 4.152 20 30 GIEDRO N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027345192 820228629 /nfs/dbraw/zinc/22/86/29/820228629.db2.gz APQUMWHLRIEUJJ-OAQYLSRUSA-N 1 0 381.907 4.098 20 30 GIEDRO CC(C)[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027449840 820246240 /nfs/dbraw/zinc/24/62/40/820246240.db2.gz ZOCZEUCHIOXPNC-NRFANRHFSA-N 1 0 388.433 4.160 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2CCCCC2)cc1 ZINC000027460902 820247448 /nfs/dbraw/zinc/24/74/48/820247448.db2.gz WYGZLJAVDLYIEZ-UHFFFAOYSA-O 1 0 398.508 4.052 20 30 GIEDRO N#CC1(CCCN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CCOCC1 ZINC000410370858 823478420 /nfs/dbraw/zinc/47/84/20/823478420.db2.gz CRUVAHLPUQPCEA-UHFFFAOYSA-N 1 0 399.623 4.311 20 30 GIEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000177508059 823479344 /nfs/dbraw/zinc/47/93/44/823479344.db2.gz DSUJBXHKAJSWLQ-MSOLQXFVSA-N 1 0 379.529 4.312 20 30 GIEDRO CC(C)c1cccc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410374347 823479620 /nfs/dbraw/zinc/47/96/20/823479620.db2.gz UDEBQQOPXVYIII-LJQANCHMSA-N 1 0 393.531 4.039 20 30 GIEDRO C[C@@H]1CCN(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)c2ccccc2S1 ZINC000029393135 820448875 /nfs/dbraw/zinc/44/88/75/820448875.db2.gz CRYAIFUVBGLHOB-LJQANCHMSA-N 1 0 389.544 4.482 20 30 GIEDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000123258731 823486636 /nfs/dbraw/zinc/48/66/36/823486636.db2.gz VLYXIJHZPWSTSC-GOSISDBHSA-N 1 0 390.508 4.177 20 30 GIEDRO CC[C@](C)(O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000189745917 823486661 /nfs/dbraw/zinc/48/66/61/823486661.db2.gz SRVHUFZDCXPTKY-DEOSSOPVSA-N 1 0 388.515 4.122 20 30 GIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2ccccc2)no1 ZINC000123261373 823487223 /nfs/dbraw/zinc/48/72/23/823487223.db2.gz SJFDMAFBINLYAS-QGZVFWFLSA-N 1 0 376.460 4.312 20 30 GIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030318248 820599923 /nfs/dbraw/zinc/59/99/23/820599923.db2.gz KZLNENSLNLZYSX-UHFFFAOYSA-N 1 0 381.479 4.013 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(C)C ZINC000030454962 820618675 /nfs/dbraw/zinc/61/86/75/820618675.db2.gz XQIHCTNVRJLQDA-HOTGVXAUSA-N 1 0 381.476 4.032 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000030532572 820634043 /nfs/dbraw/zinc/63/40/43/820634043.db2.gz DPHKFCMVXVJAGK-DVECYGJZSA-N 1 0 386.495 4.376 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000030532568 820634128 /nfs/dbraw/zinc/63/41/28/820634128.db2.gz DPHKFCMVXVJAGK-NTKDMRAZSA-N 1 0 386.495 4.376 20 30 GIEDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cn1 ZINC000123356876 823500849 /nfs/dbraw/zinc/50/08/49/823500849.db2.gz IUQQSHYZYASWOK-UHFFFAOYSA-N 1 0 399.454 4.082 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460806191 823517556 /nfs/dbraw/zinc/51/75/56/823517556.db2.gz WBGBGLCPIHJQJF-UWJYYQICSA-N 1 0 392.551 4.169 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-c4ccc5c(c4)CCCO5)cc3)n2c1 ZINC000123535572 823518685 /nfs/dbraw/zinc/51/86/85/823518685.db2.gz RVECXDXOYVCISB-UHFFFAOYSA-N 1 0 394.478 4.488 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000032813758 821010887 /nfs/dbraw/zinc/01/08/87/821010887.db2.gz VMEGAIIWORWXIR-UHFFFAOYSA-O 1 0 379.549 4.184 20 30 GIEDRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177760983 823521958 /nfs/dbraw/zinc/52/19/58/823521958.db2.gz KFDDZUZSHZPSPS-LJQANCHMSA-N 1 0 396.878 4.207 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1OCC ZINC000189989074 823522418 /nfs/dbraw/zinc/52/24/18/823522418.db2.gz MUFIEJYOQOPMGW-NVXWUHKLSA-N 1 0 398.341 4.053 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000042813551 821334774 /nfs/dbraw/zinc/33/47/74/821334774.db2.gz XFEZUCXZKIPTLG-HSZRJFAPSA-N 1 0 390.531 4.317 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043307062 821389390 /nfs/dbraw/zinc/38/93/90/821389390.db2.gz LCNQZBWJZDOFEW-NRFANRHFSA-N 1 0 399.560 4.291 20 30 GIEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771829 821446034 /nfs/dbraw/zinc/44/60/34/821446034.db2.gz UMKGUNKIZZEINU-IFMALSPDSA-N 1 0 381.907 4.022 20 30 GIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180803841 821467368 /nfs/dbraw/zinc/46/73/68/821467368.db2.gz RBXIJXXYPVCKAC-SFHVURJKSA-N 1 0 391.441 4.089 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000180813481 821474386 /nfs/dbraw/zinc/47/43/86/821474386.db2.gz DFVFGIMCGFBQKB-KXBFYZLASA-N 1 0 399.466 4.022 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1OC ZINC000180813133 821474421 /nfs/dbraw/zinc/47/44/21/821474421.db2.gz BIPYGBHRBOGVAT-QRWLVFNGSA-N 1 0 381.476 4.185 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)ccc1OC ZINC000180814005 821474450 /nfs/dbraw/zinc/47/44/50/821474450.db2.gz ALTWFPYXBZWCFG-YJBOKZPZSA-N 1 0 385.483 4.432 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180958070 821556572 /nfs/dbraw/zinc/55/65/72/821556572.db2.gz FDLWXXFZXGOKAU-AWEZNQCLSA-N 1 0 391.393 4.179 20 30 GIEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181215004 821702341 /nfs/dbraw/zinc/70/23/41/821702341.db2.gz NESOSYMOHUTYLO-HNNXBMFYSA-N 1 0 390.405 4.072 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181287103 821735668 /nfs/dbraw/zinc/73/56/68/821735668.db2.gz FNBZAWWWKAUCIB-HNNXBMFYSA-N 1 0 376.485 4.361 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1OCC ZINC000181390032 821801429 /nfs/dbraw/zinc/80/14/29/821801429.db2.gz ZJYRLUANVQDOSV-INIZCTEOSA-N 1 0 381.476 4.035 20 30 GIEDRO COc1ccc2cc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000181425175 821820092 /nfs/dbraw/zinc/82/00/92/821820092.db2.gz KQNHSEKYGSRAJH-UHFFFAOYSA-N 1 0 385.511 4.474 20 30 GIEDRO C[NH+](C)CCCN(C(=O)c1c[nH]c(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000181445604 821829497 /nfs/dbraw/zinc/82/94/97/821829497.db2.gz WXTPSYJULRWUKM-UHFFFAOYSA-N 1 0 386.499 4.070 20 30 GIEDRO COc1ccccc1COC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000181551633 821878182 /nfs/dbraw/zinc/87/81/82/821878182.db2.gz WXPZVURFYXBXFB-SFHVURJKSA-N 1 0 380.488 4.167 20 30 GIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181584674 821890396 /nfs/dbraw/zinc/89/03/96/821890396.db2.gz GYROWCLMODVMSG-UHFFFAOYSA-N 1 0 388.515 4.015 20 30 GIEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596911 821896647 /nfs/dbraw/zinc/89/66/47/821896647.db2.gz LGIKUFJPUPJVPE-IFMALSPDSA-N 1 0 381.907 4.022 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1 ZINC000181622783 821908336 /nfs/dbraw/zinc/90/83/36/821908336.db2.gz CMJKIEIVMZPCDX-RPWUZVMVSA-N 1 0 375.516 4.033 20 30 GIEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181653546 821924763 /nfs/dbraw/zinc/92/47/63/821924763.db2.gz CUSSDLFWVAMTOE-ROUUACIJSA-N 1 0 376.504 4.226 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000181758883 821979680 /nfs/dbraw/zinc/97/96/80/821979680.db2.gz WGVXYBJCIFXSIR-GOSISDBHSA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181826198 822008052 /nfs/dbraw/zinc/00/80/52/822008052.db2.gz JGINSLGRLONXSG-BPIHKTFHSA-N 1 0 385.508 4.170 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000181842574 822014524 /nfs/dbraw/zinc/01/45/24/822014524.db2.gz UHOZIPQHSMCWNS-IBGZPJMESA-N 1 0 385.515 4.059 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181957878 822045772 /nfs/dbraw/zinc/04/57/72/822045772.db2.gz XMLXEPHVOAJOQT-AWEZNQCLSA-N 1 0 386.293 4.309 20 30 GIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000182042833 822071281 /nfs/dbraw/zinc/07/12/81/822071281.db2.gz IXWRXZWIOSLFBV-IBGZPJMESA-N 1 0 389.499 4.299 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136581 822111197 /nfs/dbraw/zinc/11/11/97/822111197.db2.gz CLMXYSFSGRWPGS-MGPUTAFESA-N 1 0 381.476 4.185 20 30 GIEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182180514 822136023 /nfs/dbraw/zinc/13/60/23/822136023.db2.gz NRDNWYMRLPYXGL-SFHVURJKSA-N 1 0 377.488 4.058 20 30 GIEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453451916 822366002 /nfs/dbraw/zinc/36/60/02/822366002.db2.gz KZAWVLYMNQUBHV-OAHLLOKOSA-N 1 0 387.494 4.221 20 30 GIEDRO C=C(C)Cn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC000453455900 822367000 /nfs/dbraw/zinc/36/70/00/822367000.db2.gz UEOLNXOZVVPWDO-UHFFFAOYSA-N 1 0 387.494 4.005 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182358 822368485 /nfs/dbraw/zinc/36/84/85/822368485.db2.gz RPXGGHJSWLVAKG-UHFFFAOYSA-N 1 0 396.922 4.018 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178687797 822402967 /nfs/dbraw/zinc/40/29/67/822402967.db2.gz ZPGCQEUMFXUXCZ-QWHCGFSZSA-N 1 0 386.839 4.106 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000178802417 822411825 /nfs/dbraw/zinc/41/18/25/822411825.db2.gz VRLCLPJZPUXXDC-XLIONFOSSA-N 1 0 376.516 4.075 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000178802439 822411959 /nfs/dbraw/zinc/41/19/59/822411959.db2.gz VRLCLPJZPUXXDC-YLJYHZDGSA-N 1 0 376.516 4.075 20 30 GIEDRO N#Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000178830065 822414737 /nfs/dbraw/zinc/41/47/37/822414737.db2.gz DTKSTZABARRPGP-UHFFFAOYSA-N 1 0 399.947 4.216 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111470 822425837 /nfs/dbraw/zinc/42/58/37/822425837.db2.gz CSDIYQPCNYVNQG-HOYKHHGWSA-N 1 0 396.494 4.466 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000454232871 822441739 /nfs/dbraw/zinc/44/17/39/822441739.db2.gz WLOPLXBKDMPIAZ-AVRDEDQJSA-N 1 0 390.531 4.297 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ncc(Br)s1 ZINC000179215084 822452440 /nfs/dbraw/zinc/45/24/40/822452440.db2.gz CLZFIUXDEXVNBL-NSHDSACASA-N 1 0 382.352 4.361 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000183432327 822474050 /nfs/dbraw/zinc/47/40/50/822474050.db2.gz GLTGQNDYKACBGC-UHFFFAOYSA-N 1 0 393.409 4.049 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000179592214 822508645 /nfs/dbraw/zinc/50/86/45/822508645.db2.gz HBCBOCHLHDQIIP-JKSUJKDBSA-N 1 0 387.430 4.274 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179612236 822512710 /nfs/dbraw/zinc/51/27/10/822512710.db2.gz PWQZIDSCTZVNQB-NSHDSACASA-N 1 0 379.432 4.127 20 30 GIEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000046862278 822525101 /nfs/dbraw/zinc/52/51/01/822525101.db2.gz PNAGDSMDUDWPGP-QGZVFWFLSA-N 1 0 379.529 4.171 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179692143 822528491 /nfs/dbraw/zinc/52/84/91/822528491.db2.gz WFLHCLLJFHQHQT-HNNXBMFYSA-N 1 0 383.492 4.295 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(Oc4cnccn4)c3)CC2)cc1 ZINC000179699980 822530107 /nfs/dbraw/zinc/53/01/07/822530107.db2.gz PMNHBEWJJSGMGF-UHFFFAOYSA-N 1 0 385.471 4.217 20 30 GIEDRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000179707864 822531998 /nfs/dbraw/zinc/53/19/98/822531998.db2.gz JCKPPLNMMOLUCC-GOSISDBHSA-N 1 0 382.533 4.305 20 30 GIEDRO CN(c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)C1CC[NH+](C)CC1 ZINC000179727814 822536501 /nfs/dbraw/zinc/53/65/01/822536501.db2.gz IZZVIAPKJNFOFU-UHFFFAOYSA-N 1 0 388.515 4.024 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179733779 822538052 /nfs/dbraw/zinc/53/80/52/822538052.db2.gz AQESJOOEQATLFJ-MJGOQNOKSA-N 1 0 397.544 4.123 20 30 GIEDRO CSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047054232 822541021 /nfs/dbraw/zinc/54/10/21/822541021.db2.gz SZEBEVTVNOAZAT-KRWDZBQOSA-N 1 0 396.560 4.115 20 30 GIEDRO CCc1noc(C2CCC([NH2+]Cc3ccc(OC)c(O[C@@H](C#N)CC)c3)CC2)n1 ZINC000183901147 822542878 /nfs/dbraw/zinc/54/28/78/822542878.db2.gz ITWOPFZPBSULFA-DAWZGUTISA-N 1 0 398.507 4.138 20 30 GIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1)C(C)C ZINC000183963732 822554662 /nfs/dbraw/zinc/55/46/62/822554662.db2.gz SXANJFBJRKEAOX-DEOSSOPVSA-N 1 0 375.516 4.098 20 30 GIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961447 822563689 /nfs/dbraw/zinc/56/36/89/822563689.db2.gz ZOGHGQDZYJFUJC-AVRDEDQJSA-N 1 0 375.516 4.079 20 30 GIEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454989201 822566576 /nfs/dbraw/zinc/56/65/76/822566576.db2.gz MNDJYJPHGSHUEM-UHFFFAOYSA-N 1 0 388.821 4.092 20 30 GIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000179880966 822570703 /nfs/dbraw/zinc/57/07/03/822570703.db2.gz CKIJGKKZTCGITP-UHFFFAOYSA-N 1 0 392.499 4.473 20 30 GIEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C2CCCCC2)n1 ZINC000184082752 822575364 /nfs/dbraw/zinc/57/53/64/822575364.db2.gz AXVSHBHLFRGESY-UHFFFAOYSA-N 1 0 393.535 4.214 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000180033083 822601464 /nfs/dbraw/zinc/60/14/64/822601464.db2.gz VYHHBWXRMMPHER-QZTJIDSGSA-N 1 0 392.503 4.325 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180038108 822602346 /nfs/dbraw/zinc/60/23/46/822602346.db2.gz ZESIUGBCXDUKFI-UHFFFAOYSA-N 1 0 386.377 4.147 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+]2CCCC2)cc1 ZINC000180038733 822602455 /nfs/dbraw/zinc/60/24/55/822602455.db2.gz DOCQRTQVGKPGPH-RXVVDRJESA-N 1 0 392.503 4.245 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000180044491 822603459 /nfs/dbraw/zinc/60/34/59/822603459.db2.gz AILXYAKMEPUWMT-SFHVURJKSA-N 1 0 392.503 4.285 20 30 GIEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180044291 822603495 /nfs/dbraw/zinc/60/34/95/822603495.db2.gz AZOIDHZCWCWQGT-UHFFFAOYSA-N 1 0 379.414 4.108 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180064154 822607298 /nfs/dbraw/zinc/60/72/98/822607298.db2.gz GTMMZBSXXNPLGU-UHFFFAOYSA-N 1 0 391.540 4.351 20 30 GIEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)cc1Cl ZINC000180074644 822610169 /nfs/dbraw/zinc/61/01/69/822610169.db2.gz PTUCXKNIFWBCIK-UHFFFAOYSA-N 1 0 385.895 4.305 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000184301752 822611057 /nfs/dbraw/zinc/61/10/57/822611057.db2.gz IOJFZMTZGYJECW-BJLQDIEVSA-N 1 0 392.503 4.152 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccccc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000180155253 822628634 /nfs/dbraw/zinc/62/86/34/822628634.db2.gz DUHAFZGRGBLPEO-UHFFFAOYSA-N 1 0 381.277 4.011 20 30 GIEDRO C=CC[C@@H](C)[NH2+][C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000180173955 822632436 /nfs/dbraw/zinc/63/24/36/822632436.db2.gz NOZWXUOXGXJAJY-CJNGLKHVSA-N 1 0 395.288 4.151 20 30 GIEDRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(C#N)cc1 ZINC000048825486 822684709 /nfs/dbraw/zinc/68/47/09/822684709.db2.gz DJHIDRPSSRJZOX-MOPGFXCFSA-N 1 0 390.531 4.493 20 30 GIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455697143 822705276 /nfs/dbraw/zinc/70/52/76/822705276.db2.gz DGZXOFHKNWPLJR-HNNXBMFYSA-N 1 0 397.910 4.148 20 30 GIEDRO C[C@@H](CCNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000455702815 822706890 /nfs/dbraw/zinc/70/68/90/822706890.db2.gz LNHJXMAKQPMRSX-INIZCTEOSA-N 1 0 384.911 4.438 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358887 822777590 /nfs/dbraw/zinc/77/75/90/822777590.db2.gz BJUJMSMQBDDCGA-KUHUBIRLSA-N 1 0 385.414 4.006 20 30 GIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000174365268 822778609 /nfs/dbraw/zinc/77/86/09/822778609.db2.gz GJTCYCQXEMDBPZ-UHFFFAOYSA-N 1 0 393.535 4.243 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366457 822778644 /nfs/dbraw/zinc/77/86/44/822778644.db2.gz YPDFPYSDVOLUQQ-ZWKOTPCHSA-N 1 0 394.544 4.188 20 30 GIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(C#N)c3Br)ccc21 ZINC000456269410 822792122 /nfs/dbraw/zinc/79/21/22/822792122.db2.gz UIVWRPVJLYAUJI-KRWDZBQOSA-N 1 0 384.277 4.122 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1 ZINC000174459899 822793071 /nfs/dbraw/zinc/79/30/71/822793071.db2.gz HRQQJQKRLVFORX-SIKLNZKXSA-N 1 0 382.577 4.271 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000174464336 822793732 /nfs/dbraw/zinc/79/37/32/822793732.db2.gz BNEOBTSFELSTNC-HXUWFJFHSA-N 1 0 393.556 4.264 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000174496911 822796889 /nfs/dbraw/zinc/79/68/89/822796889.db2.gz CHOJOKJTEPBOLJ-SFHVURJKSA-N 1 0 394.450 4.192 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000174579462 822807619 /nfs/dbraw/zinc/80/76/19/822807619.db2.gz BXAYGTOWVDMTHP-UWJYYQICSA-N 1 0 395.503 4.333 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1cccc(F)c1 ZINC000174580850 822807906 /nfs/dbraw/zinc/80/79/06/822807906.db2.gz AYZNNHDLBABTDA-KRWDZBQOSA-N 1 0 378.451 4.160 20 30 GIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1cccc(F)c1 ZINC000174580859 822807912 /nfs/dbraw/zinc/80/79/12/822807912.db2.gz AYZNNHDLBABTDA-QGZVFWFLSA-N 1 0 378.451 4.160 20 30 GIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)cc1OCCCC#N ZINC000174589042 822808835 /nfs/dbraw/zinc/80/88/35/822808835.db2.gz FHEJADNEMNNKJE-OAQYLSRUSA-N 1 0 393.531 4.445 20 30 GIEDRO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052833940 822812592 /nfs/dbraw/zinc/81/25/92/822812592.db2.gz UHEHNNSNEPEECX-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO C[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769185 822819494 /nfs/dbraw/zinc/81/94/94/822819494.db2.gz DOSFMGXKZKAVQU-PBHICJAKSA-N 1 0 376.342 4.063 20 30 GIEDRO C[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769145 822819618 /nfs/dbraw/zinc/81/96/18/822819618.db2.gz DOSFMGXKZKAVQU-RHSMWYFYSA-N 1 0 376.342 4.063 20 30 GIEDRO CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783785 822836593 /nfs/dbraw/zinc/83/65/93/822836593.db2.gz KWJXSWXARZJLTQ-YADHBBJMSA-N 1 0 382.529 4.013 20 30 GIEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083848 822850139 /nfs/dbraw/zinc/85/01/39/822850139.db2.gz ZKKIRHHXDUYHSU-VLIAUNLRSA-N 1 0 379.472 4.402 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175060357 822875535 /nfs/dbraw/zinc/87/55/35/822875535.db2.gz YGOAWXQIBNXFQL-UHFFFAOYSA-N 1 0 395.507 4.084 20 30 GIEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[NH+](C)C)c1 ZINC000457479408 822879511 /nfs/dbraw/zinc/87/95/11/822879511.db2.gz MNWURIMWOUCJHK-FCHUYYIVSA-N 1 0 394.519 4.032 20 30 GIEDRO N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc1 ZINC000569466630 822926312 /nfs/dbraw/zinc/92/63/12/822926312.db2.gz HYFVPSMFGCILBS-NRFANRHFSA-N 1 0 397.482 4.444 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000055009728 822930535 /nfs/dbraw/zinc/93/05/35/822930535.db2.gz YRCOTEIYMLQDDJ-UHFFFAOYSA-O 1 0 391.507 4.487 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCCCSC)cc1 ZINC000055013053 822931261 /nfs/dbraw/zinc/93/12/61/822931261.db2.gz SZEFHZXBKFCFQU-UHFFFAOYSA-O 1 0 387.594 4.126 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)cc1 ZINC000055028142 822932299 /nfs/dbraw/zinc/93/22/99/822932299.db2.gz QIBKBYDZIQHFKF-UHFFFAOYSA-O 1 0 381.546 4.327 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2cccc(C)c2)s1 ZINC000055027960 822932327 /nfs/dbraw/zinc/93/23/27/822932327.db2.gz LPFOGPHRMQKBKZ-UHFFFAOYSA-O 1 0 387.575 4.443 20 30 GIEDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000186725848 822945445 /nfs/dbraw/zinc/94/54/45/822945445.db2.gz YMWRXNTXEPBKGE-UHFFFAOYSA-N 1 0 383.879 4.170 20 30 GIEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569742503 822962051 /nfs/dbraw/zinc/96/20/51/822962051.db2.gz GZHRKHPSSKIVRJ-HNNXBMFYSA-N 1 0 392.334 4.111 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1C)[n+]1cccc(C)c1 ZINC000186953731 822986197 /nfs/dbraw/zinc/98/61/97/822986197.db2.gz IEUUUKVGCYTMIY-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(C)c(F)c1)[n+]1cccc(C)c1 ZINC000186958697 822986946 /nfs/dbraw/zinc/98/69/46/822986946.db2.gz FCSOYTUQJUTSQX-UHFFFAOYSA-O 1 0 398.483 4.386 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc(C)c1 ZINC000186972058 822990036 /nfs/dbraw/zinc/99/00/36/822990036.db2.gz SYWKIZJLSAHIGI-UHFFFAOYSA-O 1 0 385.553 4.317 20 30 GIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000570015589 822997293 /nfs/dbraw/zinc/99/72/93/822997293.db2.gz YCHKLNHGWOIRRR-RTBURBONSA-N 1 0 395.375 4.390 20 30 GIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000570015586 822997298 /nfs/dbraw/zinc/99/72/98/822997298.db2.gz YCHKLNHGWOIRRR-MOPGFXCFSA-N 1 0 395.375 4.390 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175572535 823000093 /nfs/dbraw/zinc/00/00/93/823000093.db2.gz LTBWKSOBQKFLPT-APWZRJJASA-N 1 0 378.476 4.297 20 30 GIEDRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000570112610 823006578 /nfs/dbraw/zinc/00/65/78/823006578.db2.gz UCAWFHVWFOKQJQ-CYBMUJFWSA-N 1 0 388.298 4.321 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175621125 823008158 /nfs/dbraw/zinc/00/81/58/823008158.db2.gz LSNNFZDGDLFXSO-UZLBHIALSA-N 1 0 398.532 4.223 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ncc(Br)cc1F ZINC000187082517 823008263 /nfs/dbraw/zinc/00/82/63/823008263.db2.gz VAKGUGVMRIVDCJ-LBPRGKRZSA-N 1 0 394.313 4.439 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000570138774 823009633 /nfs/dbraw/zinc/00/96/33/823009633.db2.gz IOXGNBQOXMPKRF-MRXNPFEDSA-N 1 0 380.517 4.173 20 30 GIEDRO C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000570203899 823015065 /nfs/dbraw/zinc/01/50/65/823015065.db2.gz NNOWNQWBCHQLEO-WIYYLYMNSA-N 1 0 391.519 4.213 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175703477 823023673 /nfs/dbraw/zinc/02/36/73/823023673.db2.gz LKBOPWSNVMTVHI-UHFFFAOYSA-N 1 0 397.569 4.412 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000175708347 823024759 /nfs/dbraw/zinc/02/47/59/823024759.db2.gz HTSXLOJUPALFEU-QWHCGFSZSA-N 1 0 377.366 4.135 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2cccs2)CC1 ZINC000187208428 823025095 /nfs/dbraw/zinc/02/50/95/823025095.db2.gz FOJQUQOZKSYYGJ-FQEVSTJZSA-N 1 0 393.556 4.241 20 30 GIEDRO N#Cc1cc(F)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000177923055 823546775 /nfs/dbraw/zinc/54/67/75/823546775.db2.gz KOXWGLWOTXSTSG-IHWFROFDSA-N 1 0 378.451 4.014 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc(OC)c1O ZINC000123899505 823549978 /nfs/dbraw/zinc/54/99/78/823549978.db2.gz DHHZWKRMXZXDFF-UHFFFAOYSA-N 1 0 377.488 4.385 20 30 GIEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460963579 823551803 /nfs/dbraw/zinc/55/18/03/823551803.db2.gz YTWAFYLQRHKAEI-IBGZPJMESA-N 1 0 397.592 4.128 20 30 GIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000190313421 823561744 /nfs/dbraw/zinc/56/17/44/823561744.db2.gz SECGLRIVQVRENZ-UHFFFAOYSA-N 1 0 395.894 4.202 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CC2(N3CCSCC3)CCCC2)ccc1OC ZINC000060947554 823568582 /nfs/dbraw/zinc/56/85/82/823568582.db2.gz JXBXNLJWGNDHGM-UHFFFAOYSA-N 1 0 390.593 4.101 20 30 GIEDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000411388725 823568784 /nfs/dbraw/zinc/56/87/84/823568784.db2.gz OPBVJRQEOUOXGN-SFHVURJKSA-N 1 0 376.913 4.220 20 30 GIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cccnc1 ZINC000411408151 823570998 /nfs/dbraw/zinc/57/09/98/823570998.db2.gz LVRLKUHAMSHYKV-INIZCTEOSA-N 1 0 396.560 4.379 20 30 GIEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000411453156 823576280 /nfs/dbraw/zinc/57/62/80/823576280.db2.gz QHILEXYPAFWBRV-INIZCTEOSA-N 1 0 381.476 4.033 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccccc1Cl ZINC000061194387 823583470 /nfs/dbraw/zinc/58/34/70/823583470.db2.gz ZYUXMAUNKNSPLV-FQEVSTJZSA-N 1 0 384.911 4.094 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000411520957 823584070 /nfs/dbraw/zinc/58/40/70/823584070.db2.gz RWFNPJVXXGZKMX-HNNXBMFYSA-N 1 0 377.444 4.301 20 30 GIEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000411607292 823590523 /nfs/dbraw/zinc/59/05/23/823590523.db2.gz CRVSQJICNVMOAU-HOCLYGCPSA-N 1 0 381.314 4.131 20 30 GIEDRO Cc1cc2cc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2cc1C ZINC000190611727 823591659 /nfs/dbraw/zinc/59/16/59/823591659.db2.gz DFCDJMHATQUQOP-UWJYYQICSA-N 1 0 387.483 4.373 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000190632514 823593793 /nfs/dbraw/zinc/59/37/93/823593793.db2.gz SABDACIFQZJWJD-IFXJQAMLSA-N 1 0 387.405 4.029 20 30 GIEDRO CC(C)c1ccc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000061574469 823604812 /nfs/dbraw/zinc/60/48/12/823604812.db2.gz BZLMWIIZIANQSU-UHFFFAOYSA-N 1 0 395.572 4.364 20 30 GIEDRO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)ccc1OCc1ccccc1 ZINC000190796913 823610138 /nfs/dbraw/zinc/61/01/38/823610138.db2.gz NXWMLUNUYWOWJE-KRWDZBQOSA-N 1 0 375.472 4.335 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000124768897 823624662 /nfs/dbraw/zinc/62/46/62/823624662.db2.gz FMOJLWPAFAQGNC-RRQGHBQHSA-N 1 0 385.405 4.172 20 30 GIEDRO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000412200377 823634905 /nfs/dbraw/zinc/63/49/05/823634905.db2.gz AYAJKHKPHUBJFW-OLOOCYQZSA-N 1 0 387.527 4.079 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000412355353 823649356 /nfs/dbraw/zinc/64/93/56/823649356.db2.gz DPUHUYWQNNGFKL-BJKOFHAPSA-N 1 0 399.538 4.176 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2cccs2)CC1 ZINC000125317370 823667367 /nfs/dbraw/zinc/66/73/67/823667367.db2.gz DUFQEKFSBKGSLC-IBGZPJMESA-N 1 0 382.533 4.409 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)sc2c1CCCCC2 ZINC000125345597 823669686 /nfs/dbraw/zinc/66/96/86/823669686.db2.gz JFNUPFVSONDTEQ-GOSISDBHSA-N 1 0 382.533 4.382 20 30 GIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)cc1 ZINC000125366733 823671000 /nfs/dbraw/zinc/67/10/00/823671000.db2.gz NXGZWJYNMMEDTA-SBUREZEXSA-N 1 0 380.488 4.244 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000125471837 823679036 /nfs/dbraw/zinc/67/90/36/823679036.db2.gz GMOOGFPYXHBNLO-YADHBBJMSA-N 1 0 382.939 4.225 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125849578 823728268 /nfs/dbraw/zinc/72/82/68/823728268.db2.gz ZSXLGOQHDHLPHX-MRXNPFEDSA-N 1 0 393.936 4.213 20 30 GIEDRO C[C@H](Cc1ccccc1)NC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000191697458 823739085 /nfs/dbraw/zinc/73/90/85/823739085.db2.gz YWCNZSFWRWMCNL-GOSISDBHSA-O 1 0 375.517 4.134 20 30 GIEDRO N#Cc1ncc(C(F)(F)F)cc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413278619 823743985 /nfs/dbraw/zinc/74/39/85/823743985.db2.gz GTNICBVRZKEABB-FQEVSTJZSA-N 1 0 386.421 4.074 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1)C[C@@H]1CCCCO1 ZINC000461928040 823760057 /nfs/dbraw/zinc/76/00/57/823760057.db2.gz PHLFZVLWCJTUGE-ILWGZMRPSA-N 1 0 398.551 4.280 20 30 GIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(-n2cccn2)c1 ZINC000191821106 823782407 /nfs/dbraw/zinc/78/24/07/823782407.db2.gz RCPWDHCCZKSZON-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC000164344298 823797266 /nfs/dbraw/zinc/79/72/66/823797266.db2.gz FLSWRRIGSSZRFM-UHFFFAOYSA-N 1 0 383.332 4.446 20 30 GIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000574674884 823797370 /nfs/dbraw/zinc/79/73/70/823797370.db2.gz AWRKSGZPXJIFFK-UHFFFAOYSA-N 1 0 399.494 4.459 20 30 GIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c(C(F)(F)F)c1 ZINC000574679722 823799293 /nfs/dbraw/zinc/79/92/93/823799293.db2.gz LIHQMRUGEQJKNV-UHFFFAOYSA-N 1 0 397.400 4.077 20 30 GIEDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000064613697 823852434 /nfs/dbraw/zinc/85/24/34/823852434.db2.gz YZMHSOUJYPHSBN-INIZCTEOSA-N 1 0 384.476 4.246 20 30 GIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000064613953 823853186 /nfs/dbraw/zinc/85/31/86/823853186.db2.gz OZGJLBLWKPRGOE-JOCHJYFZSA-N 1 0 393.531 4.132 20 30 GIEDRO CCc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414160400 823920439 /nfs/dbraw/zinc/92/04/39/823920439.db2.gz CVIRQKOYDPGMTN-NRFANRHFSA-N 1 0 384.545 4.271 20 30 GIEDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414160401 823920769 /nfs/dbraw/zinc/92/07/69/823920769.db2.gz CVIRQKOYDPGMTN-OAQYLSRUSA-N 1 0 384.545 4.271 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000126665508 823922432 /nfs/dbraw/zinc/92/24/32/823922432.db2.gz LKKJTLMOZWCBCW-UHFFFAOYSA-N 1 0 392.499 4.452 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C#N)cc1 ZINC000575333451 823957290 /nfs/dbraw/zinc/95/72/90/823957290.db2.gz OXMOOKMMMQKKDV-ZDUSSCGKSA-N 1 0 380.448 4.110 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000414562594 824013676 /nfs/dbraw/zinc/01/36/76/824013676.db2.gz UAFJNXPBZRKWID-QHCPKHFHSA-N 1 0 379.500 4.483 20 30 GIEDRO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000127133060 824023653 /nfs/dbraw/zinc/02/36/53/824023653.db2.gz FWDFCECFXPZTNV-SFHVURJKSA-N 1 0 392.503 4.424 20 30 GIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000575909931 824026929 /nfs/dbraw/zinc/02/69/29/824026929.db2.gz IROUNUYHMPMJCQ-JOCHJYFZSA-N 1 0 377.488 4.068 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414967561 824055222 /nfs/dbraw/zinc/05/52/22/824055222.db2.gz QBWWRDBYHNFYTR-CJNGLKHVSA-N 1 0 384.867 4.266 20 30 GIEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414969772 824055515 /nfs/dbraw/zinc/05/55/15/824055515.db2.gz UATGFAMQBOPVDH-UKRRQHHQSA-N 1 0 384.867 4.205 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000414973285 824056051 /nfs/dbraw/zinc/05/60/51/824056051.db2.gz ZDDFCCQAKVUABE-SFHVURJKSA-N 1 0 384.867 4.205 20 30 GIEDRO N#Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726931 720471560 /nfs/dbraw/zinc/47/15/60/720471560.db2.gz MZSHKVDKWJONAI-RTWAWAEBSA-N 1 0 389.890 4.008 20 30 GIEDRO N#Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726918 720472596 /nfs/dbraw/zinc/47/25/96/720472596.db2.gz MZSHKVDKWJONAI-LEWJYISDSA-N 1 0 389.890 4.008 20 30 GIEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)cc1C#N ZINC001165018758 721830907 /nfs/dbraw/zinc/83/09/07/721830907.db2.gz AEVDWKAVZFSIDB-LDQXTDLNSA-N 1 0 395.938 4.047 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165017892 721837476 /nfs/dbraw/zinc/83/74/76/721837476.db2.gz RHYRDEDGEGXFAJ-UHFFFAOYSA-N 1 0 388.849 4.165 20 30 GIEDRO N#C[C@H](c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nn1)c1ccccc1F ZINC001165050456 721972781 /nfs/dbraw/zinc/97/27/81/721972781.db2.gz YFLXHIHAOQANDK-ICSRJNTNSA-N 1 0 393.510 4.116 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC000187380396 823053014 /nfs/dbraw/zinc/05/30/14/823053014.db2.gz YXQDCKBTPWWOBO-UHFFFAOYSA-N 1 0 393.434 4.033 20 30 GIEDRO CSc1ccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)cc1 ZINC000458580585 823059269 /nfs/dbraw/zinc/05/92/69/823059269.db2.gz OCUVOKJQVFUTFE-SFTDATJTSA-N 1 0 396.560 4.355 20 30 GIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+]Cc4cnc5ccc(C#N)cn45)cc3)ccc2O1 ZINC000120784194 823063519 /nfs/dbraw/zinc/06/35/19/823063519.db2.gz FQPWPQUWPGQAQG-QGZVFWFLSA-N 1 0 394.478 4.486 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120807467 823068081 /nfs/dbraw/zinc/06/80/81/823068081.db2.gz SRCFDTUDDQJQMS-GHTZIAJQSA-N 1 0 394.519 4.021 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570682347 823071691 /nfs/dbraw/zinc/07/16/91/823071691.db2.gz BHOTUVVQRIURBP-CQSZACIVSA-N 1 0 375.394 4.278 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000570694032 823072892 /nfs/dbraw/zinc/07/28/92/823072892.db2.gz SMPSOVCFMHZRMU-UHFFFAOYSA-N 1 0 390.487 4.346 20 30 GIEDRO Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000120995489 823099413 /nfs/dbraw/zinc/09/94/13/823099413.db2.gz WZKNDTIXQNTYNA-LJQANCHMSA-N 1 0 380.492 4.102 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187666251 823109334 /nfs/dbraw/zinc/10/93/34/823109334.db2.gz RUBIDXONUDGCAG-ICSRJNTNSA-N 1 0 376.504 4.461 20 30 GIEDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000570956071 823111910 /nfs/dbraw/zinc/11/19/10/823111910.db2.gz RKKPHRPDUMZGIF-UHFFFAOYSA-N 1 0 395.478 4.314 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)oc21 ZINC000176076845 823113648 /nfs/dbraw/zinc/11/36/48/823113648.db2.gz KIVSACGDDWNNCG-CYBMUJFWSA-N 1 0 383.473 4.444 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000176084876 823115442 /nfs/dbraw/zinc/11/54/42/823115442.db2.gz WUKUEJHRHAHRIZ-KRWDZBQOSA-N 1 0 379.529 4.123 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176099619 823119931 /nfs/dbraw/zinc/11/99/31/823119931.db2.gz CVWXFPCTBSWZJW-XLIONFOSSA-N 1 0 379.529 4.085 20 30 GIEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 ZINC000571052975 823125617 /nfs/dbraw/zinc/12/56/17/823125617.db2.gz GMRGZMBHRYFABL-UHFFFAOYSA-N 1 0 392.551 4.100 20 30 GIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000121166088 823130953 /nfs/dbraw/zinc/13/09/53/823130953.db2.gz XHDIUDNKKAPRNB-HSZRJFAPSA-N 1 0 381.472 4.272 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187797935 823135369 /nfs/dbraw/zinc/13/53/69/823135369.db2.gz ZTJVJKDDQDXYMI-UWJYYQICSA-N 1 0 392.503 4.010 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056356711 823135643 /nfs/dbraw/zinc/13/56/43/823135643.db2.gz UXMRHUNHNOVCLN-UHFFFAOYSA-N 1 0 381.495 4.188 20 30 GIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176155055 823138157 /nfs/dbraw/zinc/13/81/57/823138157.db2.gz STIFSMSQIWEPBK-FQEVSTJZSA-N 1 0 395.547 4.094 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000121356534 823169709 /nfs/dbraw/zinc/16/97/09/823169709.db2.gz RGCWATLGPHWBAG-GOSISDBHSA-N 1 0 392.434 4.136 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000121356355 823169729 /nfs/dbraw/zinc/16/97/29/823169729.db2.gz RGCWATLGPHWBAG-SFHVURJKSA-N 1 0 392.434 4.136 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000056744627 823205280 /nfs/dbraw/zinc/20/52/80/823205280.db2.gz XKNGABUWAXFUEC-UHFFFAOYSA-N 1 0 399.454 4.100 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599368 823205827 /nfs/dbraw/zinc/20/58/27/823205827.db2.gz XNVSVNIRVHLFFQ-SUMDDJOVSA-N 1 0 378.442 4.121 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(OC(F)F)c1 ZINC000459510071 823207760 /nfs/dbraw/zinc/20/77/60/823207760.db2.gz CDUUPNNLNDXWEV-UHFFFAOYSA-N 1 0 384.426 4.224 20 30 GIEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571697361 823220935 /nfs/dbraw/zinc/22/09/35/823220935.db2.gz XVJXBGOEYBHISC-YOEHRIQHSA-N 1 0 381.442 4.094 20 30 GIEDRO COc1cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)ccc1C#N ZINC000459566748 823221661 /nfs/dbraw/zinc/22/16/61/823221661.db2.gz SLUZDYMRFZQPDZ-UHFFFAOYSA-N 1 0 387.487 4.230 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409460979 823224854 /nfs/dbraw/zinc/22/48/54/823224854.db2.gz LGTUYQNIYNDLDT-SFHVURJKSA-N 1 0 399.498 4.228 20 30 GIEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)n2)c1 ZINC000409490166 823233543 /nfs/dbraw/zinc/23/35/43/823233543.db2.gz DZNWHDACCIMIOU-UHFFFAOYSA-N 1 0 399.498 4.025 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)c1 ZINC000459649775 823238860 /nfs/dbraw/zinc/23/88/60/823238860.db2.gz WAQYAFKYOIYJRB-LEWJYISDSA-N 1 0 392.547 4.335 20 30 GIEDRO CCN1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571862683 823247325 /nfs/dbraw/zinc/24/73/25/823247325.db2.gz HPJQFCZWYVEEHO-PZJWPPBQSA-N 1 0 376.397 4.020 20 30 GIEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c(-c2ccccc2)n1 ZINC000121765681 823245940 /nfs/dbraw/zinc/24/59/40/823245940.db2.gz CPSUNSDHALMKNZ-XMMPIXPASA-N 1 0 399.542 4.390 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCC(OC)CC2)cc1OCC ZINC000459682370 823249893 /nfs/dbraw/zinc/24/98/93/823249893.db2.gz RNNPIJIUDIVNOH-UHFFFAOYSA-N 1 0 398.341 4.460 20 30 GIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000459692708 823251798 /nfs/dbraw/zinc/25/17/98/823251798.db2.gz MSSPZEAJYONJFS-UHFFFAOYSA-N 1 0 388.309 4.453 20 30 GIEDRO N#CCSCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459779407 823264059 /nfs/dbraw/zinc/26/40/59/823264059.db2.gz ZTIYAMWOAXUYRZ-FCHUYYIVSA-N 1 0 383.536 4.030 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Br ZINC000572083264 823280633 /nfs/dbraw/zinc/28/06/33/823280633.db2.gz ILSNWTBGRWWWOT-GFCCVEGCSA-N 1 0 375.266 4.189 20 30 GIEDRO Cc1ccc2c(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cn(C)c2c1 ZINC000188698568 823288317 /nfs/dbraw/zinc/28/83/17/823288317.db2.gz CVBIUKHSTKRWEM-UHFFFAOYSA-N 1 0 386.543 4.155 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OCC ZINC000007266832 817807600 /nfs/dbraw/zinc/80/76/00/817807600.db2.gz NFFFCQHLUYWZFL-HZPDHXFCSA-N 1 0 381.476 4.033 20 30 GIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188754469 823298092 /nfs/dbraw/zinc/29/80/92/823298092.db2.gz MRMLFOYMFBRXPM-QGZVFWFLSA-N 1 0 395.507 4.015 20 30 GIEDRO N#CC1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000572202016 823299098 /nfs/dbraw/zinc/29/90/98/823299098.db2.gz RHEVWFYTRLSBKY-AEDUHMMZSA-N 1 0 394.563 4.012 20 30 GIEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(C)c1 ZINC000122088810 823304608 /nfs/dbraw/zinc/30/46/08/823304608.db2.gz UCRAESJFMLDPGZ-CYBMUJFWSA-O 1 0 379.908 4.402 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccccc2)c(C)n1C ZINC000011167338 818058248 /nfs/dbraw/zinc/05/82/48/818058248.db2.gz OEUDBCZUGNAOES-UHFFFAOYSA-O 1 0 378.521 4.289 20 30 GIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000176960303 823335371 /nfs/dbraw/zinc/33/53/71/823335371.db2.gz JMEFBMVLBDGKCN-UHFFFAOYSA-N 1 0 391.334 4.220 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000460270105 823336053 /nfs/dbraw/zinc/33/60/53/823336053.db2.gz TVKLOGFDKVLTMW-SFHVURJKSA-N 1 0 382.335 4.394 20 30 GIEDRO Cc1cccc(C)c1NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517664 818517841 /nfs/dbraw/zinc/51/78/41/818517841.db2.gz JVODJOUKHKJQBN-UHFFFAOYSA-N 1 0 378.545 4.080 20 30 GIEDRO Cc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1Br ZINC000572489159 823348270 /nfs/dbraw/zinc/34/82/70/823348270.db2.gz GQAUEVSIJSPUKW-UHFFFAOYSA-N 1 0 384.321 4.388 20 30 GIEDRO C=CC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000189130384 823362163 /nfs/dbraw/zinc/36/21/63/823362163.db2.gz YKGUOPAUFYUPTQ-HXUWFJFHSA-N 1 0 379.504 4.184 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460371830 823367359 /nfs/dbraw/zinc/36/73/59/823367359.db2.gz WHYYPMPOUUFHII-UHFFFAOYSA-N 1 0 385.943 4.097 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687592 818844471 /nfs/dbraw/zinc/84/44/71/818844471.db2.gz CSAXVCSFIXSIFF-UHFFFAOYSA-O 1 0 389.491 4.264 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2cccc(CO)c2)s1 ZINC000022730937 818851971 /nfs/dbraw/zinc/85/19/71/818851971.db2.gz ATIJYZAEDSCXDR-UHFFFAOYSA-O 1 0 397.545 4.196 20 30 GIEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460374434 823368413 /nfs/dbraw/zinc/36/84/13/823368413.db2.gz LEZZPIBGJFVXOU-QFBILLFUSA-N 1 0 385.943 4.238 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NC)cc1 ZINC000022733989 818852693 /nfs/dbraw/zinc/85/26/93/818852693.db2.gz LIMPDPJHIPEJGQ-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c1 ZINC000022735653 818853171 /nfs/dbraw/zinc/85/31/71/818853171.db2.gz LGXUBGKQRXJLMQ-UHFFFAOYSA-O 1 0 389.544 4.362 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NCCOC)cc1 ZINC000022794026 818861797 /nfs/dbraw/zinc/86/17/97/818861797.db2.gz KHQCQCVPDGEXAY-UHFFFAOYSA-O 1 0 399.580 4.225 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1CC ZINC000022798188 818862500 /nfs/dbraw/zinc/86/25/00/818862500.db2.gz QJTIHAZKVFZWAB-UHFFFAOYSA-O 1 0 379.549 4.130 20 30 GIEDRO CCOc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)cc1 ZINC000023604301 818963870 /nfs/dbraw/zinc/96/38/70/818963870.db2.gz AXJMXWMJUCMCEG-UHFFFAOYSA-O 1 0 394.520 4.369 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000122702415 823397456 /nfs/dbraw/zinc/39/74/56/823397456.db2.gz AYCXTZVKLZAMKL-KBPBESRZSA-N 1 0 391.393 4.177 20 30 GIEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000122837457 823420935 /nfs/dbraw/zinc/42/09/35/823420935.db2.gz DYZMOWLWIWMWNZ-UHFFFAOYSA-N 1 0 399.494 4.096 20 30 GIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460564572 823434695 /nfs/dbraw/zinc/43/46/95/823434695.db2.gz MKENFFCZBDKBHZ-IBGZPJMESA-N 1 0 383.540 4.186 20 30 GIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573037217 823437830 /nfs/dbraw/zinc/43/78/30/823437830.db2.gz BINPCPOGKWNQKV-NVXWUHKLSA-N 1 0 382.439 4.234 20 30 GIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460570251 823438041 /nfs/dbraw/zinc/43/80/41/823438041.db2.gz FSTHEMBPFJYWJD-MOPGFXCFSA-N 1 0 399.608 4.154 20 30 GIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460570255 823438089 /nfs/dbraw/zinc/43/80/89/823438089.db2.gz FSTHEMBPFJYWJD-RBUKOAKNSA-N 1 0 399.608 4.154 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1C#N ZINC000026472715 820101457 /nfs/dbraw/zinc/10/14/57/820101457.db2.gz QJEBMEXKLBDPED-YJBOKZPZSA-N 1 0 382.508 4.067 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(C)c2)c1 ZINC000027161598 820203361 /nfs/dbraw/zinc/20/33/61/820203361.db2.gz PRYPUAXCYJUPCJ-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)c1 ZINC000027161615 820203423 /nfs/dbraw/zinc/20/34/23/820203423.db2.gz PUJRQYWKDSICFB-UHFFFAOYSA-O 1 0 381.452 4.173 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2)[n+]2ccc(C)cc2)cc1 ZINC000027284567 820220509 /nfs/dbraw/zinc/22/05/09/820220509.db2.gz GHZOXCQHHBSTPA-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027302054 820223126 /nfs/dbraw/zinc/22/31/26/820223126.db2.gz SUUPZBGCCYVHCR-UHFFFAOYSA-O 1 0 381.565 4.309 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(N(C)C)cc1 ZINC000027324204 820224225 /nfs/dbraw/zinc/22/42/25/820224225.db2.gz CFJASSMFMJGCAW-UHFFFAOYSA-O 1 0 396.536 4.115 20 30 GIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000573193512 823463885 /nfs/dbraw/zinc/46/38/85/823463885.db2.gz ZRRKWGAYHSBIMR-QFIPXVFZSA-N 1 0 378.451 4.197 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC2CCCCC2)cc1 ZINC000027461009 820247544 /nfs/dbraw/zinc/24/75/44/820247544.db2.gz ZZOWAEDFYLFEQI-UHFFFAOYSA-O 1 0 398.508 4.052 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1 ZINC000027478108 820249944 /nfs/dbraw/zinc/24/99/44/820249944.db2.gz SKPOCAANSWKGSD-UHFFFAOYSA-O 1 0 399.605 4.134 20 30 GIEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000027487573 820252044 /nfs/dbraw/zinc/25/20/44/820252044.db2.gz VZPGAYIXMAZZOO-FXAWDEMLSA-O 1 0 396.580 4.147 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000177475150 823471037 /nfs/dbraw/zinc/47/10/37/823471037.db2.gz APPGTVYGNCJVEZ-FHWLQOOXSA-N 1 0 379.504 4.112 20 30 GIEDRO O=C1CC2(CCCCC2)CC(=O)C1=CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000029003509 820382473 /nfs/dbraw/zinc/38/24/73/820382473.db2.gz BEBPIVDAYDVLMR-UHFFFAOYSA-N 1 0 380.532 4.138 20 30 GIEDRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000189727058 823483122 /nfs/dbraw/zinc/48/31/22/823483122.db2.gz KPBLWKDHCYIYDF-SECBINFHSA-N 1 0 394.356 4.258 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000177540293 823486143 /nfs/dbraw/zinc/48/61/43/823486143.db2.gz QXQIUXSDKXSWGY-LJQANCHMSA-N 1 0 390.487 4.300 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531898 820633441 /nfs/dbraw/zinc/63/34/41/820633441.db2.gz JUBSGEIUVUTUPI-WMZHIEFXSA-N 1 0 386.495 4.108 20 30 GIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000030532745 820634124 /nfs/dbraw/zinc/63/41/24/820634124.db2.gz PRATZLGNJVEUBT-NQIIRXRSSA-N 1 0 388.467 4.441 20 30 GIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)c2)cc1 ZINC000123377637 823503124 /nfs/dbraw/zinc/50/31/24/823503124.db2.gz HCHOBHKKHIASAL-UHFFFAOYSA-N 1 0 395.466 4.057 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1 ZINC000123467067 823511978 /nfs/dbraw/zinc/51/19/78/823511978.db2.gz NNYBSMMRUGIWID-UHFFFAOYSA-N 1 0 382.891 4.203 20 30 GIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000177689686 823513992 /nfs/dbraw/zinc/51/39/92/823513992.db2.gz WNVXTCXLUCKBDW-UHFFFAOYSA-N 1 0 380.435 4.477 20 30 GIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460795061 823514382 /nfs/dbraw/zinc/51/43/82/823514382.db2.gz RJNBCTDXVQKPIW-VQTJNVASSA-N 1 0 397.567 4.051 20 30 GIEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032737368 821001054 /nfs/dbraw/zinc/00/10/54/821001054.db2.gz PJRQIEPGBKYILG-MOPGFXCFSA-N 1 0 391.515 4.130 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1OCC ZINC000189989096 823522472 /nfs/dbraw/zinc/52/24/72/823522472.db2.gz MUFIEJYOQOPMGW-WBVHZDCISA-N 1 0 398.341 4.053 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)cc1C ZINC000035588173 821065561 /nfs/dbraw/zinc/06/55/61/821065561.db2.gz BVSTWOALMVGPRT-UHFFFAOYSA-O 1 0 375.517 4.320 20 30 GIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000190017702 823526432 /nfs/dbraw/zinc/52/64/32/823526432.db2.gz ROODYWCMAKWAOX-YLQAJVPDSA-N 1 0 377.579 4.089 20 30 GIEDRO O=C(c1cccc(Cl)c1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000123684578 823531383 /nfs/dbraw/zinc/53/13/83/823531383.db2.gz JZTJDEPKXZSBCA-UHFFFAOYSA-O 1 0 395.935 4.399 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCOCC2)c(F)c1 ZINC000177823485 823531461 /nfs/dbraw/zinc/53/14/61/823531461.db2.gz PZGRGZGARRXERH-KRWDZBQOSA-N 1 0 399.535 4.118 20 30 GIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N2CCOCC2)c(F)c1 ZINC000177823498 823531467 /nfs/dbraw/zinc/53/14/67/823531467.db2.gz PZGRGZGARRXERH-QGZVFWFLSA-N 1 0 399.535 4.118 20 30 GIEDRO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000060469297 823531470 /nfs/dbraw/zinc/53/14/70/823531470.db2.gz GAVXINGKNKOXRR-NTPDFONASA-N 1 0 394.515 4.423 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1Br ZINC000411473281 823578915 /nfs/dbraw/zinc/57/89/15/823578915.db2.gz KCYDDRQCUSXCAV-UHFFFAOYSA-N 1 0 386.293 4.174 20 30 GIEDRO C=CCOc1ccc(C[N@H+](Cc2cc(=O)n3ccsc3n2)C(C)(C)C)cc1 ZINC000177847468 823535688 /nfs/dbraw/zinc/53/56/88/823535688.db2.gz XMJNNAXNKQXQIX-UHFFFAOYSA-N 1 0 383.517 4.122 20 30 GIEDRO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000041466061 821194477 /nfs/dbraw/zinc/19/44/77/821194477.db2.gz VQVXQTOVTDUAFA-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)cc1 ZINC000041465957 821194551 /nfs/dbraw/zinc/19/45/51/821194551.db2.gz BPBYRWVHWJKWFN-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2cccc(CO)c2)cc1 ZINC000041466017 821194668 /nfs/dbraw/zinc/19/46/68/821194668.db2.gz UVRSGPTXAOSTQH-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Br ZINC000177863660 823538089 /nfs/dbraw/zinc/53/80/89/823538089.db2.gz WIRGEYPWOCTHPE-CYBMUJFWSA-N 1 0 375.266 4.211 20 30 GIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000043183332 821375869 /nfs/dbraw/zinc/37/58/69/821375869.db2.gz FJWCPBQQDIXKSD-QGZVFWFLSA-N 1 0 396.922 4.190 20 30 GIEDRO CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043712163 821444387 /nfs/dbraw/zinc/44/43/87/821444387.db2.gz BUHJICNFYUTOFC-QFIPXVFZSA-N 1 0 378.520 4.173 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000180811320 821473027 /nfs/dbraw/zinc/47/30/27/821473027.db2.gz KATQPFRTVPZUHN-RDJZCZTQSA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1OC ZINC000180813098 821473739 /nfs/dbraw/zinc/47/37/39/821473739.db2.gz BIPYGBHRBOGVAT-YWZLYKJASA-N 1 0 381.476 4.185 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1C ZINC000180870624 821505017 /nfs/dbraw/zinc/50/50/17/821505017.db2.gz QEAPXBXCAOUGNL-UHFFFAOYSA-N 1 0 385.458 4.353 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180893957 821520566 /nfs/dbraw/zinc/52/05/66/821520566.db2.gz WRBZYPKDYFVMNI-ROUUACIJSA-N 1 0 376.504 4.130 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180893979 821520651 /nfs/dbraw/zinc/52/06/51/821520651.db2.gz WRBZYPKDYFVMNI-MSOLQXFVSA-N 1 0 376.504 4.130 20 30 GIEDRO COCCc1nc(C)c([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000181215316 821702188 /nfs/dbraw/zinc/70/21/88/821702188.db2.gz KAONDFPQIDMJSY-ZDUSSCGKSA-N 1 0 382.451 4.362 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(Br)c1 ZINC000181232854 821709587 /nfs/dbraw/zinc/70/95/87/821709587.db2.gz KWVSUNLFTMUUNM-FQEVSTJZSA-N 1 0 399.288 4.333 20 30 GIEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181509130 821859736 /nfs/dbraw/zinc/85/97/36/821859736.db2.gz CNUVFWQQDUIHFP-UHFFFAOYSA-N 1 0 377.488 4.201 20 30 GIEDRO CCCC(=O)Nc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181517367 821863424 /nfs/dbraw/zinc/86/34/24/821863424.db2.gz MYGXSTILORKQEU-UHFFFAOYSA-N 1 0 390.531 4.051 20 30 GIEDRO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181534907 821871310 /nfs/dbraw/zinc/87/13/10/821871310.db2.gz UXGSVRFCNBGKHK-FFZDDMFNSA-N 1 0 398.547 4.042 20 30 GIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000181570904 821884697 /nfs/dbraw/zinc/88/46/97/821884697.db2.gz KRQQIBPNZMQQPO-XMSQKQJNSA-N 1 0 399.560 4.413 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000181574620 821885716 /nfs/dbraw/zinc/88/57/16/821885716.db2.gz IZYQFHLMMIPOOO-ILBGXUMGSA-N 1 0 389.543 4.280 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1 ZINC000181626635 821910745 /nfs/dbraw/zinc/91/07/45/821910745.db2.gz OSWJQBBOUVVUFM-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663373 821930574 /nfs/dbraw/zinc/93/05/74/821930574.db2.gz QKTXRKZJHPHHFM-OXJNMPFZSA-N 1 0 397.544 4.055 20 30 GIEDRO CC(C)C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181798787 821996841 /nfs/dbraw/zinc/99/68/41/821996841.db2.gz MPGBVBWCMSXKKF-NRFANRHFSA-N 1 0 387.487 4.059 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000181808753 822001255 /nfs/dbraw/zinc/00/12/55/822001255.db2.gz HUWJYVFJQATLLY-GOSISDBHSA-N 1 0 394.475 4.118 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)cc1 ZINC000181823575 822007252 /nfs/dbraw/zinc/00/72/52/822007252.db2.gz BNAMXSAVOVDZTC-NRFANRHFSA-N 1 0 379.504 4.300 20 30 GIEDRO CC[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000181858069 822018415 /nfs/dbraw/zinc/01/84/15/822018415.db2.gz YFIVUJAIASEIPT-OAQYLSRUSA-N 1 0 381.495 4.109 20 30 GIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000181899314 822030596 /nfs/dbraw/zinc/03/05/96/822030596.db2.gz ZZCRTJGULAMDKV-UHFFFAOYSA-N 1 0 399.542 4.115 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3csc(-c4ccco4)n3)CC2)cc1 ZINC000181910269 822034604 /nfs/dbraw/zinc/03/46/04/822034604.db2.gz HQTWMKDUULZSOC-UHFFFAOYSA-N 1 0 378.501 4.029 20 30 GIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182014296 822063030 /nfs/dbraw/zinc/06/30/30/822063030.db2.gz DUNLHWBIWOZIHL-UZUQRXQVSA-N 1 0 397.494 4.110 20 30 GIEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182055550 822076488 /nfs/dbraw/zinc/07/64/88/822076488.db2.gz IVUMXSQBJKPGNO-GOSISDBHSA-N 1 0 378.520 4.120 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000182058017 822076741 /nfs/dbraw/zinc/07/67/41/822076741.db2.gz IJVOFIQRHRUWQQ-SFHVURJKSA-N 1 0 380.488 4.135 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000182519437 822279480 /nfs/dbraw/zinc/27/94/80/822279480.db2.gz YFVPSGIXZOGTLU-NWDGAFQWSA-N 1 0 395.381 4.345 20 30 GIEDRO COc1ccc(OC(F)F)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182799021 822369392 /nfs/dbraw/zinc/36/93/92/822369392.db2.gz MVIFKNAAQSFIER-UHFFFAOYSA-N 1 0 387.430 4.245 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000178576795 822393348 /nfs/dbraw/zinc/39/33/48/822393348.db2.gz XGRRCCRKIGTVQN-UHFFFAOYSA-N 1 0 382.895 4.306 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000045780736 822413069 /nfs/dbraw/zinc/41/30/69/822413069.db2.gz KLMWSXMRCPINRK-LJQANCHMSA-N 1 0 390.531 4.274 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000045789354 822413988 /nfs/dbraw/zinc/41/39/88/822413988.db2.gz BMQCUNGLYUEXOK-IBGZPJMESA-N 1 0 390.531 4.132 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(O)c(OC)c1 ZINC000178872443 822417897 /nfs/dbraw/zinc/41/78/97/822417897.db2.gz ORTAPQGVUBZIIG-UHFFFAOYSA-N 1 0 381.516 4.353 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183132363 822428607 /nfs/dbraw/zinc/42/86/07/822428607.db2.gz WRGXOKXPJZZPCG-QGZVFWFLSA-N 1 0 392.528 4.440 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179105664 822438735 /nfs/dbraw/zinc/43/87/35/822438735.db2.gz ZGWWZQORHSLEOR-VGSWGCGISA-N 1 0 377.488 4.071 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000454386950 822466894 /nfs/dbraw/zinc/46/68/94/822466894.db2.gz QMCGMNGXSDWRCA-IBGZPJMESA-N 1 0 381.545 4.142 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179592587 822508883 /nfs/dbraw/zinc/50/88/83/822508883.db2.gz JFPOXCVFOFLTCS-NSHDSACASA-N 1 0 379.432 4.127 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179614341 822513073 /nfs/dbraw/zinc/51/30/73/822513073.db2.gz XKQIOWDPDNBERO-VXGBXAGGSA-N 1 0 377.391 4.047 20 30 GIEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000046809269 822519702 /nfs/dbraw/zinc/51/97/02/822519702.db2.gz IRKSLAZMYXWSMJ-UHFFFAOYSA-N 1 0 382.504 4.030 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000046817583 822520993 /nfs/dbraw/zinc/52/09/93/822520993.db2.gz WLJJANRGMVNXJQ-STQMWFEESA-N 1 0 377.366 4.135 20 30 GIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000046891365 822527113 /nfs/dbraw/zinc/52/71/13/822527113.db2.gz HLCXZSJXSREOJF-UHFFFAOYSA-N 1 0 390.531 4.132 20 30 GIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454764007 822529988 /nfs/dbraw/zinc/52/99/88/822529988.db2.gz DTDQIOAVOAPQJE-UHFFFAOYSA-N 1 0 377.532 4.284 20 30 GIEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000179707849 822531950 /nfs/dbraw/zinc/53/19/50/822531950.db2.gz JCKPPLNMMOLUCC-SFHVURJKSA-N 1 0 382.533 4.305 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1OC(F)F ZINC000179718722 822534478 /nfs/dbraw/zinc/53/44/78/822534478.db2.gz FAUNXJLXYFZTLE-HNNXBMFYSA-N 1 0 393.821 4.492 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001381 822593311 /nfs/dbraw/zinc/59/33/11/822593311.db2.gz MTFACXWJHSLBCC-JPYJTQIMSA-N 1 0 388.515 4.005 20 30 GIEDRO N#CC1(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CCCCC1 ZINC000180000979 822593426 /nfs/dbraw/zinc/59/34/26/822593426.db2.gz FSRBGROVXDKLJU-UHFFFAOYSA-N 1 0 379.426 4.017 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609250 822596469 /nfs/dbraw/zinc/59/64/69/822596469.db2.gz REKCKXDCCBGXII-SJORKVTESA-N 1 0 395.503 4.279 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609256 822596483 /nfs/dbraw/zinc/59/64/83/822596483.db2.gz REKCKXDCCBGXII-DLBZAZTESA-N 1 0 395.503 4.279 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccnc(N4CCCC4)c3)c2)c1 ZINC000047700973 822600974 /nfs/dbraw/zinc/60/09/74/822600974.db2.gz PEGLOHGMOAEHNK-UHFFFAOYSA-N 1 0 398.510 4.422 20 30 GIEDRO C=CCC[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000180050095 822604454 /nfs/dbraw/zinc/60/44/54/822604454.db2.gz XVNHDELEYMSAJC-GOSISDBHSA-N 1 0 387.409 4.478 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180063748 822607043 /nfs/dbraw/zinc/60/70/43/822607043.db2.gz LBWRSFNQRKFELH-MRXNPFEDSA-N 1 0 379.407 4.318 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180068015 822608510 /nfs/dbraw/zinc/60/85/10/822608510.db2.gz XECITVITSPEFHA-FQEVSTJZSA-N 1 0 386.455 4.025 20 30 GIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180081452 822611460 /nfs/dbraw/zinc/61/14/60/822611460.db2.gz ZEDQEWNUEIBTQJ-QGZVFWFLSA-N 1 0 380.492 4.141 20 30 GIEDRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000184317661 822613702 /nfs/dbraw/zinc/61/37/02/822613702.db2.gz NUSWDROXIVYGPI-QGZVFWFLSA-N 1 0 387.524 4.277 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000184320820 822614570 /nfs/dbraw/zinc/61/45/70/822614570.db2.gz HDCUIEGZHSEWAT-VIQWUECVSA-N 1 0 384.524 4.142 20 30 GIEDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180126444 822620912 /nfs/dbraw/zinc/62/09/12/822620912.db2.gz WNKYLQAPNMTBLY-QPPBQGQZSA-N 1 0 386.499 4.216 20 30 GIEDRO Cn1cc(C[NH2+]Cc2sccc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000180172416 822632175 /nfs/dbraw/zinc/63/21/75/822632175.db2.gz LBWZBMPATLOZER-UHFFFAOYSA-N 1 0 387.306 4.073 20 30 GIEDRO Cn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180174145 822632383 /nfs/dbraw/zinc/63/23/83/822632383.db2.gz YLTGSENIIJLBBZ-HSZRJFAPSA-N 1 0 385.515 4.060 20 30 GIEDRO N#Cc1ccc(CSCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000048150370 822640184 /nfs/dbraw/zinc/64/01/84/822640184.db2.gz NAXHSWHGBCXKTA-UHFFFAOYSA-N 1 0 379.529 4.416 20 30 GIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180216312 822641010 /nfs/dbraw/zinc/64/10/10/822641010.db2.gz UUCLBCJSFGPADP-UHFFFAOYSA-N 1 0 396.494 4.267 20 30 GIEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000048214477 822645934 /nfs/dbraw/zinc/64/59/34/822645934.db2.gz MJTXEBVVRSYFHW-INIZCTEOSA-N 1 0 396.922 4.236 20 30 GIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327918 822664257 /nfs/dbraw/zinc/66/42/57/822664257.db2.gz RENJLTMRQXWMQE-VXKWHMMOSA-N 1 0 376.431 4.141 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180402819 822676178 /nfs/dbraw/zinc/67/61/78/822676178.db2.gz BEDYDQWYSHWFFD-CYBMUJFWSA-N 1 0 398.488 4.086 20 30 GIEDRO CCNC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000048816394 822684174 /nfs/dbraw/zinc/68/41/74/822684174.db2.gz HMHTZUMHYVFQAS-UHFFFAOYSA-N 1 0 399.494 4.177 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542980 822699321 /nfs/dbraw/zinc/69/93/21/822699321.db2.gz VWLBYMQCICDQIH-HZPDHXFCSA-N 1 0 378.476 4.285 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000180554121 822701197 /nfs/dbraw/zinc/70/11/97/822701197.db2.gz USQQGLLHIPHELZ-QGZVFWFLSA-N 1 0 375.241 4.268 20 30 GIEDRO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455696902 822705028 /nfs/dbraw/zinc/70/50/28/822705028.db2.gz DCEUBNHNSFPMEM-APWZRJJASA-N 1 0 396.922 4.438 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455697257 822705315 /nfs/dbraw/zinc/70/53/15/822705315.db2.gz DLORAYGISPBPTE-UZLBHIALSA-N 1 0 396.922 4.438 20 30 GIEDRO N#CCc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000455699457 822706010 /nfs/dbraw/zinc/70/60/10/822706010.db2.gz HHBWNURSXBLRBX-UHFFFAOYSA-N 1 0 396.922 4.440 20 30 GIEDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+](C)C)cc1 ZINC000455755813 822720333 /nfs/dbraw/zinc/72/03/33/822720333.db2.gz RPCCWHSFPDVMMH-FQEVSTJZSA-N 1 0 384.911 4.393 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455777268 822724730 /nfs/dbraw/zinc/72/47/30/822724730.db2.gz GBSGDXYOWITUTL-YJBOKZPZSA-N 1 0 397.910 4.123 20 30 GIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(CC#N)c1 ZINC000455909928 822747218 /nfs/dbraw/zinc/74/72/18/822747218.db2.gz SXHVWRMZWKQTSA-OEWRPIJISA-N 1 0 376.504 4.031 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185201360 822748907 /nfs/dbraw/zinc/74/89/07/822748907.db2.gz OINACRJWWMCZQU-DOTOQJQBSA-N 1 0 389.421 4.365 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455923083 822750241 /nfs/dbraw/zinc/75/02/41/822750241.db2.gz SHIZNNJKEWAILM-SFHVURJKSA-N 1 0 376.504 4.449 20 30 GIEDRO COc1ccc([C@H](CNC(=O)Nc2cccc(CC#N)c2)[NH+]2CCCCC2)cc1 ZINC000455936504 822753116 /nfs/dbraw/zinc/75/31/16/822753116.db2.gz CEJAQLRIBWSKFY-QFIPXVFZSA-N 1 0 392.503 4.110 20 30 GIEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000456171622 822786050 /nfs/dbraw/zinc/78/60/50/822786050.db2.gz ORYSLCVSWQMHCD-UHFFFAOYSA-N 1 0 383.467 4.340 20 30 GIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174421352 822787724 /nfs/dbraw/zinc/78/77/24/822787724.db2.gz FFKDTDHETNVHJA-HXUWFJFHSA-N 1 0 386.879 4.090 20 30 GIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc21 ZINC000456285556 822794373 /nfs/dbraw/zinc/79/43/73/822794373.db2.gz URBXLMDRTWCCNV-JOCHJYFZSA-N 1 0 377.488 4.295 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)Nc2ccccc2C#N)cc1 ZINC000185580787 822798729 /nfs/dbraw/zinc/79/87/29/822798729.db2.gz VLKURXFYBZWNNK-UHFFFAOYSA-O 1 0 397.483 4.077 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000174514542 822799643 /nfs/dbraw/zinc/79/96/43/822799643.db2.gz HUODTUADFAILKO-MRXNPFEDSA-N 1 0 397.906 4.418 20 30 GIEDRO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000052496035 822801626 /nfs/dbraw/zinc/80/16/26/822801626.db2.gz VMCIUZDUEOMPKX-UHFFFAOYSA-N 1 0 399.545 4.020 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052661879 822806717 /nfs/dbraw/zinc/80/67/17/822806717.db2.gz ZFYFUKXASYSKEB-OAQYLSRUSA-N 1 0 399.560 4.291 20 30 GIEDRO C[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769124 822819647 /nfs/dbraw/zinc/81/96/47/822819647.db2.gz DOSFMGXKZKAVQU-WMLDXEAASA-N 1 0 376.342 4.063 20 30 GIEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185831825 822825478 /nfs/dbraw/zinc/82/54/78/822825478.db2.gz WIPSCYVHWQNCRI-FXAWDEMLSA-N 1 0 377.479 4.242 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174793938 822837769 /nfs/dbraw/zinc/83/77/69/822837769.db2.gz SKZSPYQCVAMZIH-MOPGFXCFSA-N 1 0 390.487 4.359 20 30 GIEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000457089248 822852190 /nfs/dbraw/zinc/85/21/90/822852190.db2.gz SRMCDGWNHVBACG-HXUWFJFHSA-N 1 0 393.556 4.405 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)ccc1OC ZINC000186383172 822885479 /nfs/dbraw/zinc/88/54/79/822885479.db2.gz FRZBHMJGPTUSJL-IBGZPJMESA-N 1 0 396.487 4.311 20 30 GIEDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175148454 822892039 /nfs/dbraw/zinc/89/20/39/822892039.db2.gz KJLOHDNAVIZLQU-UHFFFAOYSA-N 1 0 379.529 4.312 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCc2ccccc2)c1 ZINC000055012149 822931027 /nfs/dbraw/zinc/93/10/27/822931027.db2.gz GOXDLLBHYYCOJL-UHFFFAOYSA-O 1 0 375.517 4.320 20 30 GIEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000569598320 822943337 /nfs/dbraw/zinc/94/33/37/822943337.db2.gz OQRCNRZDEUJXJJ-CQSZACIVSA-N 1 0 398.304 4.317 20 30 GIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000569647744 822949827 /nfs/dbraw/zinc/94/98/27/822949827.db2.gz XKMMUZGROGYSOO-UHFFFAOYSA-N 1 0 376.529 4.420 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(F)c(C)c1)[n+]1cccc(C)c1 ZINC000175381613 822952993 /nfs/dbraw/zinc/95/29/93/822952993.db2.gz WOSYAQWBEVEQJV-UHFFFAOYSA-O 1 0 391.557 4.012 20 30 GIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(C(F)(F)F)c1 ZINC000569891431 822981385 /nfs/dbraw/zinc/98/13/85/822981385.db2.gz KBQNQGILCSBDQQ-UHFFFAOYSA-N 1 0 382.769 4.291 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175621106 823008186 /nfs/dbraw/zinc/00/81/86/823008186.db2.gz LSNNFZDGDLFXSO-JXFKEZNVSA-N 1 0 398.532 4.223 20 30 GIEDRO C=CCc1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc(OC)c1O ZINC000570151898 823010865 /nfs/dbraw/zinc/01/08/65/823010865.db2.gz DYPVTFBNSKMHAG-UHFFFAOYSA-N 1 0 389.499 4.164 20 30 GIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)CC1 ZINC000175703961 823023865 /nfs/dbraw/zinc/02/38/65/823023865.db2.gz LNAUFVWAJBXNEN-UHFFFAOYSA-N 1 0 379.529 4.039 20 30 GIEDRO Cc1cccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)c1 ZINC000175721149 823026850 /nfs/dbraw/zinc/02/68/50/823026850.db2.gz RKGSLQARHZSCMQ-UHFFFAOYSA-N 1 0 380.492 4.487 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000175741793 823030231 /nfs/dbraw/zinc/03/02/31/823030231.db2.gz JDWBPGHFWBDHSZ-SFHVURJKSA-N 1 0 391.540 4.267 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000570471716 823042621 /nfs/dbraw/zinc/04/26/21/823042621.db2.gz GCTAYIZMVZAHDQ-UPVQGACJSA-N 1 0 390.458 4.011 20 30 GIEDRO CCCCc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060576007 823544001 /nfs/dbraw/zinc/54/40/01/823544001.db2.gz DTDNZMSPMWCCPX-UHFFFAOYSA-N 1 0 377.532 4.034 20 30 GIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411263092 823560912 /nfs/dbraw/zinc/56/09/12/823560912.db2.gz SDXWXQFKPCNXQH-INIZCTEOSA-N 1 0 387.524 4.049 20 30 GIEDRO Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1Br ZINC000190316183 823562096 /nfs/dbraw/zinc/56/20/96/823562096.db2.gz PXDPQCJDDOWKSB-UHFFFAOYSA-N 1 0 395.304 4.320 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 ZINC000411340449 823565435 /nfs/dbraw/zinc/56/54/35/823565435.db2.gz NUSSQIARXGAYQG-UHFFFAOYSA-N 1 0 386.293 4.174 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000411396681 823570036 /nfs/dbraw/zinc/57/00/36/823570036.db2.gz KCBMMPWQRRIKMV-ZJSXRUAMSA-N 1 0 385.511 4.201 20 30 GIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124137433 823570932 /nfs/dbraw/zinc/57/09/32/823570932.db2.gz JVJHXIYZFOFJLE-HXUWFJFHSA-N 1 0 393.535 4.067 20 30 GIEDRO N#Cc1cccc([C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)c1 ZINC000411421258 823572242 /nfs/dbraw/zinc/57/22/42/823572242.db2.gz WBEDJFZZYLSAPP-XMMPIXPASA-N 1 0 375.516 4.118 20 30 GIEDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000411447798 823575424 /nfs/dbraw/zinc/57/54/24/823575424.db2.gz KBCMSWWLPWHQKN-QZTJIDSGSA-N 1 0 385.414 4.006 20 30 GIEDRO Cc1nc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)sc1SCC#N ZINC000411459077 823577176 /nfs/dbraw/zinc/57/71/76/823577176.db2.gz PFMQUMNJPIIOTK-UHFFFAOYSA-N 1 0 386.546 4.305 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000411475349 823579317 /nfs/dbraw/zinc/57/93/17/823579317.db2.gz NAEIGBAOLNRNCS-HRAATJIYSA-N 1 0 397.906 4.298 20 30 GIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC000461110279 823579330 /nfs/dbraw/zinc/57/93/30/823579330.db2.gz PCTGURAVBOWDDD-UBBNFRCJSA-N 1 0 384.520 4.206 20 30 GIEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000411483388 823580163 /nfs/dbraw/zinc/58/01/63/823580163.db2.gz BWOOCSPLCAOONV-NRFANRHFSA-N 1 0 395.528 4.187 20 30 GIEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061198984 823584091 /nfs/dbraw/zinc/58/40/91/823584091.db2.gz ZVTJBOXXVYVJHY-UHFFFAOYSA-N 1 0 391.559 4.088 20 30 GIEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411577256 823589014 /nfs/dbraw/zinc/58/90/14/823589014.db2.gz ZIDFAUYQCFPRSU-SFHVURJKSA-N 1 0 389.565 4.083 20 30 GIEDRO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190612639 823591556 /nfs/dbraw/zinc/59/15/56/823591556.db2.gz ROBDVKUJIBBXKU-NHCUHLMSSA-N 1 0 391.540 4.103 20 30 GIEDRO CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190612330 823591603 /nfs/dbraw/zinc/59/16/03/823591603.db2.gz BECIWYXMOAYPRQ-JXFKEZNVSA-N 1 0 379.529 4.122 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614143 823591728 /nfs/dbraw/zinc/59/17/28/823591728.db2.gz HILNVYRKEFMWJY-HXOBKFHXSA-N 1 0 399.494 4.172 20 30 GIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCSc4ccc(Cl)cc43)C2=O)cc1 ZINC000190617133 823592179 /nfs/dbraw/zinc/59/21/79/823592179.db2.gz SVWKAFURXPXRTQ-RBUKOAKNSA-N 1 0 397.931 4.139 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623167 823592768 /nfs/dbraw/zinc/59/27/68/823592768.db2.gz IHNAACNWVRRQQH-HNAYVOBHSA-N 1 0 375.497 4.225 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000461262610 823607767 /nfs/dbraw/zinc/60/77/67/823607767.db2.gz KQEQJEYLVKOJQC-QFIPXVFZSA-N 1 0 391.515 4.084 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000124650628 823614254 /nfs/dbraw/zinc/61/42/54/823614254.db2.gz RINDTWBTFIAJBS-INIZCTEOSA-N 1 0 378.586 4.318 20 30 GIEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124704181 823619109 /nfs/dbraw/zinc/61/91/09/823619109.db2.gz GQUULRKHXABXJY-FQEVSTJZSA-N 1 0 391.515 4.463 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412015014 823622961 /nfs/dbraw/zinc/62/29/61/823622961.db2.gz RQONKVNKRNOJTH-FQEVSTJZSA-N 1 0 397.544 4.222 20 30 GIEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000412153798 823631107 /nfs/dbraw/zinc/63/11/07/823631107.db2.gz GUTZGGYNTXAOFO-BFLUCZKCSA-N 1 0 399.538 4.176 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000461450752 823640152 /nfs/dbraw/zinc/64/01/52/823640152.db2.gz AZECVKBFEYNHTJ-UHFFFAOYSA-N 1 0 376.891 4.390 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2cccs2)CC1 ZINC000125317571 823667381 /nfs/dbraw/zinc/66/73/81/823667381.db2.gz DUFQEKFSBKGSLC-LJQANCHMSA-N 1 0 382.533 4.409 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063403313 823668453 /nfs/dbraw/zinc/66/84/53/823668453.db2.gz SKFPGMVSWVAIIB-KDURUIRLSA-N 1 0 382.552 4.012 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063492063 823675770 /nfs/dbraw/zinc/67/57/70/823675770.db2.gz TYTJNSUEMJQPHP-GCJKJVERSA-N 1 0 398.572 4.097 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000191421504 823683293 /nfs/dbraw/zinc/68/32/93/823683293.db2.gz IUAZFSDSWICAPM-YADHBBJMSA-N 1 0 399.579 4.428 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125614584 823690163 /nfs/dbraw/zinc/69/01/63/823690163.db2.gz CVPXPIBULKFVFF-KRWDZBQOSA-N 1 0 381.545 4.447 20 30 GIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063754046 823693559 /nfs/dbraw/zinc/69/35/59/823693559.db2.gz IANKTEZZPUPJQZ-UHFFFAOYSA-N 1 0 399.494 4.459 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063777171 823695096 /nfs/dbraw/zinc/69/50/96/823695096.db2.gz ATUJYFQZBWMHGO-UHFFFAOYSA-N 1 0 390.531 4.143 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C#N)cc1 ZINC000574341050 823704803 /nfs/dbraw/zinc/70/48/03/823704803.db2.gz IUVQIWNNUQYOLB-JKSUJKDBSA-N 1 0 378.501 4.099 20 30 GIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413105471 823708020 /nfs/dbraw/zinc/70/80/20/823708020.db2.gz YYJMNVARVMNSSA-UHFFFAOYSA-N 1 0 392.400 4.212 20 30 GIEDRO C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000125785713 823709868 /nfs/dbraw/zinc/70/98/68/823709868.db2.gz UQIXEVAUYFVGAJ-SFHVURJKSA-N 1 0 393.556 4.312 20 30 GIEDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000574384701 823715599 /nfs/dbraw/zinc/71/55/99/823715599.db2.gz ZDXUQBFCSMAIMA-KOSHJBKYSA-N 1 0 388.515 4.071 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191650631 823724123 /nfs/dbraw/zinc/72/41/23/823724123.db2.gz OMAPNVFNZJZTHJ-FQEVSTJZSA-N 1 0 390.531 4.213 20 30 GIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000163615418 823728135 /nfs/dbraw/zinc/72/81/35/823728135.db2.gz MSUWPEHBXROSNZ-IBGZPJMESA-N 1 0 375.516 4.323 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)N[C@H](C)Cc1ccccc1)[n+]1ccccc1 ZINC000191699760 823739995 /nfs/dbraw/zinc/73/99/95/823739995.db2.gz XQEUSLHCSCGNIT-LJQANCHMSA-O 1 0 389.544 4.442 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)N[C@@H](C)Cc1ccccc1)[n+]1ccccc1 ZINC000191699745 823740020 /nfs/dbraw/zinc/74/00/20/823740020.db2.gz XQEUSLHCSCGNIT-IBGZPJMESA-O 1 0 389.544 4.442 20 30 GIEDRO C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCCC1 ZINC000125901966 823740631 /nfs/dbraw/zinc/74/06/31/823740631.db2.gz NQJOXJWFMMDJGP-QGZVFWFLSA-N 1 0 379.529 4.171 20 30 GIEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000125955151 823752282 /nfs/dbraw/zinc/75/22/82/823752282.db2.gz PITIRMYGDMYNEP-ZWKOTPCHSA-N 1 0 379.504 4.265 20 30 GIEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000125955674 823752717 /nfs/dbraw/zinc/75/27/17/823752717.db2.gz PITIRMYGDMYNEP-MSOLQXFVSA-N 1 0 379.504 4.265 20 30 GIEDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000064139988 823753177 /nfs/dbraw/zinc/75/31/77/823753177.db2.gz CGRAOIKTENSSDY-KRWDZBQOSA-N 1 0 385.458 4.429 20 30 GIEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000461917942 823753242 /nfs/dbraw/zinc/75/32/42/823753242.db2.gz GDMKSIMAEBIZOR-GCJKJVERSA-N 1 0 391.515 4.014 20 30 GIEDRO N#CCCN(C(=O)C[NH+]1CCC(c2ccnc3ccccc32)CC1)c1ccccc1 ZINC000574529946 823756412 /nfs/dbraw/zinc/75/64/12/823756412.db2.gz ODPNUYIZFOXPLC-UHFFFAOYSA-N 1 0 398.510 4.361 20 30 GIEDRO C=C(C)Cn1c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC000574535427 823757898 /nfs/dbraw/zinc/75/78/98/823757898.db2.gz UVBJGWFTHQDTCY-FQEVSTJZSA-N 1 0 381.568 4.110 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1)C[C@H]1CCCCO1 ZINC000461928039 823759990 /nfs/dbraw/zinc/75/99/90/823759990.db2.gz PHLFZVLWCJTUGE-CEMLEFRQSA-N 1 0 398.551 4.280 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000413401351 823769439 /nfs/dbraw/zinc/76/94/39/823769439.db2.gz MTTVJLIHRYAAGG-AUSIDOKSSA-N 1 0 392.547 4.094 20 30 GIEDRO Cc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)cc1C#N ZINC000461964687 823774579 /nfs/dbraw/zinc/77/45/79/823774579.db2.gz KTXWXQUZNSVIOK-UHFFFAOYSA-N 1 0 380.923 4.408 20 30 GIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)cc1 ZINC000064248210 823780272 /nfs/dbraw/zinc/78/02/72/823780272.db2.gz WAPNAAWXXCDWPG-QHCPKHFHSA-N 1 0 390.458 4.139 20 30 GIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(-n2cccn2)c1 ZINC000191821120 823782477 /nfs/dbraw/zinc/78/24/77/823782477.db2.gz RCPWDHCCZKSZON-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO N#Cc1ccc(Br)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000191822512 823782639 /nfs/dbraw/zinc/78/26/39/823782639.db2.gz INLCCNYSGSHEBD-FQEVSTJZSA-N 1 0 399.288 4.333 20 30 GIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O ZINC000164344472 823797148 /nfs/dbraw/zinc/79/71/48/823797148.db2.gz HNEKWNKYWHYJKD-UHFFFAOYSA-N 1 0 383.332 4.446 20 30 GIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000462041531 823808601 /nfs/dbraw/zinc/80/86/01/823808601.db2.gz VAOAYADITYKXJZ-UHFFFAOYSA-N 1 0 378.476 4.113 20 30 GIEDRO C[NH+](C)CCCC1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000574934022 823863731 /nfs/dbraw/zinc/86/37/31/823863731.db2.gz UPNZXBRPZVRPLN-UHFFFAOYSA-N 1 0 376.426 4.082 20 30 GIEDRO C[C@@H](C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210886 823873781 /nfs/dbraw/zinc/87/37/81/823873781.db2.gz GZILZWKDHOGPCM-WZONZLPQSA-N 1 0 389.543 4.251 20 30 GIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCSCc2ccccc2C#N)c(C)c1 ZINC000170670781 823932068 /nfs/dbraw/zinc/93/20/68/823932068.db2.gz XBOMHRHTTAPZQY-SFHVURJKSA-N 1 0 381.545 4.415 20 30 GIEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000575202348 823937063 /nfs/dbraw/zinc/93/70/63/823937063.db2.gz YGUHMKWHNSWSOZ-UHFFFAOYSA-N 1 0 390.487 4.346 20 30 GIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)no1 ZINC000192342117 823953176 /nfs/dbraw/zinc/95/31/76/823953176.db2.gz GCRMXXGGVBIAMP-UHFFFAOYSA-N 1 0 392.434 4.136 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000414297851 823953509 /nfs/dbraw/zinc/95/35/09/823953509.db2.gz HROSYYLUOZYHAQ-GHTZIAJQSA-N 1 0 384.545 4.065 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000414297853 823953559 /nfs/dbraw/zinc/95/35/59/823953559.db2.gz HROSYYLUOZYHAQ-NQIIRXRSSA-N 1 0 384.545 4.065 20 30 GIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCc2cccnc21 ZINC000127073077 824011498 /nfs/dbraw/zinc/01/14/98/824011498.db2.gz BOQSAJJYFXHALC-NRFANRHFSA-N 1 0 376.504 4.317 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414899829 824047608 /nfs/dbraw/zinc/04/76/08/824047608.db2.gz GIIVZVZOUYTZST-TXPKVOOTSA-N 1 0 382.895 4.387 20 30 GIEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414902051 824047947 /nfs/dbraw/zinc/04/79/47/824047947.db2.gz JKWSSNOULXLIEX-CLCXKQKWSA-N 1 0 382.895 4.196 20 30 GIEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911904 824049078 /nfs/dbraw/zinc/04/90/78/824049078.db2.gz UEFZXJVHZJZVCO-DNVCBOLYSA-N 1 0 382.895 4.069 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000414965134 824054666 /nfs/dbraw/zinc/05/46/66/824054666.db2.gz NCLOZGFUXXFINL-ZBFHGGJFSA-N 1 0 398.894 4.453 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414967557 824055338 /nfs/dbraw/zinc/05/53/38/824055338.db2.gz QBWWRDBYHNFYTR-BBRMVZONSA-N 1 0 384.867 4.266 20 30 GIEDRO N#Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl ZINC001164623335 719109280 /nfs/dbraw/zinc/10/92/80/719109280.db2.gz CMLJLMRSZFIYQS-DNVCBOLYSA-N 1 0 387.314 4.361 20 30 GIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C(C)(C)c1ccnc(Cl)c1)[C@H]2CC ZINC001164702708 719824774 /nfs/dbraw/zinc/82/47/74/719824774.db2.gz SZVDAEKDDWSHSK-LAUBAEHRSA-N 1 0 375.944 4.392 20 30 GIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733617 720432410 /nfs/dbraw/zinc/43/24/10/720432410.db2.gz PZYUXMSMJJEPBP-WOJBJXKFSA-N 1 0 389.890 4.008 20 30 GIEDRO COc1cc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C#N)c(Cl)n1 ZINC001165049104 721972772 /nfs/dbraw/zinc/97/27/72/721972772.db2.gz NFBSVVGDBLBJRR-AWEZNQCLSA-N 1 0 398.885 4.005 20 30 GIEDRO Cc1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164993871 722192164 /nfs/dbraw/zinc/19/21/64/722192164.db2.gz IGBGPUISXXOGFU-NRFANRHFSA-N 1 0 384.886 4.299 20 30 GIEDRO N#Cc1ccc2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164993697 722197644 /nfs/dbraw/zinc/19/76/44/722197644.db2.gz HXMNHZJUMBYWLR-DEOSSOPVSA-N 1 0 386.474 4.490 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000120793463 823065314 /nfs/dbraw/zinc/06/53/14/823065314.db2.gz VIIYYSYFYQHOOF-HNNXBMFYSA-N 1 0 383.442 4.141 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1Cl ZINC000120888762 823082550 /nfs/dbraw/zinc/08/25/50/823082550.db2.gz XMBCVEVWVZOTSO-UHFFFAOYSA-N 1 0 382.895 4.327 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000570859450 823097491 /nfs/dbraw/zinc/09/74/91/823097491.db2.gz RNSGWCREQFGPSO-AWEZNQCLSA-N 1 0 375.925 4.481 20 30 GIEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000187716207 823119166 /nfs/dbraw/zinc/11/91/66/823119166.db2.gz SKHSFAKMYIDLAD-UHFFFAOYSA-N 1 0 385.446 4.023 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000571090268 823130837 /nfs/dbraw/zinc/13/08/37/823130837.db2.gz BIRFGLRQMNPJBN-IBGZPJMESA-N 1 0 386.492 4.046 20 30 GIEDRO N#Cc1csc(C[NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000571191743 823146521 /nfs/dbraw/zinc/14/65/21/823146521.db2.gz ZZWYBRBMXQDJKZ-OAHLLOKOSA-N 1 0 376.323 4.278 20 30 GIEDRO N#Cc1csc(C[NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000571191742 823146531 /nfs/dbraw/zinc/14/65/31/823146531.db2.gz ZZWYBRBMXQDJKZ-HNNXBMFYSA-N 1 0 376.323 4.278 20 30 GIEDRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000459340245 823164830 /nfs/dbraw/zinc/16/48/30/823164830.db2.gz CSVMFSSRHBJHTE-UCFCWBNQSA-N 1 0 375.516 4.183 20 30 GIEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000188119781 823189455 /nfs/dbraw/zinc/18/94/55/823189455.db2.gz CLRNEAKZACXIAP-UHFFFAOYSA-N 1 0 391.515 4.085 20 30 GIEDRO C[N@H+](CCOc1ccccc1F)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121514298 823197923 /nfs/dbraw/zinc/19/79/23/823197923.db2.gz PQLMJFRYIFXQNU-UHFFFAOYSA-N 1 0 378.451 4.114 20 30 GIEDRO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000571577718 823203352 /nfs/dbraw/zinc/20/33/52/823203352.db2.gz JGYCWABASYGKTJ-KRWDZBQOSA-N 1 0 397.906 4.113 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000571613406 823209151 /nfs/dbraw/zinc/20/91/51/823209151.db2.gz JVMTYOXELYJKQI-GBSAAQIZSA-N 1 0 381.545 4.163 20 30 GIEDRO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)ccc1Br ZINC000571638191 823213222 /nfs/dbraw/zinc/21/32/22/823213222.db2.gz NQLJEUGWNAAHMT-AWEZNQCLSA-N 1 0 378.314 4.100 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(C#N)c1C ZINC000459535381 823214151 /nfs/dbraw/zinc/21/41/51/823214151.db2.gz GJTGKAUHGKDYMQ-HXUWFJFHSA-N 1 0 397.544 4.059 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459662844 823244703 /nfs/dbraw/zinc/24/47/03/823244703.db2.gz BKVYMRDOZIJHFE-IAGOWNOFSA-N 1 0 383.467 4.129 20 30 GIEDRO CCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCC1 ZINC000459810308 823266447 /nfs/dbraw/zinc/26/64/47/823266447.db2.gz TXJQXAZYJDGAJC-HXUWFJFHSA-N 1 0 382.508 4.115 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 ZINC000460124365 823289453 /nfs/dbraw/zinc/28/94/53/823289453.db2.gz QFQMZBYKYOLKNA-UHFFFAOYSA-N 1 0 395.551 4.217 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(C)c1 ZINC000122086433 823304046 /nfs/dbraw/zinc/30/40/46/823304046.db2.gz VUJXMTRIRWLVAF-UHFFFAOYSA-O 1 0 379.908 4.404 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(Cl)c2)C(=S)NC(C)(C)C)c1 ZINC000122087719 823304333 /nfs/dbraw/zinc/30/43/33/823304333.db2.gz WNIGWODALVFQTG-UHFFFAOYSA-O 1 0 379.908 4.402 20 30 GIEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)Nc1ccccc1F)[n+]1ccccc1 ZINC000011170059 818058763 /nfs/dbraw/zinc/05/87/63/818058763.db2.gz GUVPIJIJKQTKMR-UHFFFAOYSA-O 1 0 387.406 4.442 20 30 GIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[C@H](C)C1 ZINC000122208806 823321759 /nfs/dbraw/zinc/32/17/59/823321759.db2.gz INEIHRBKSHCRTC-GCJKJVERSA-N 1 0 391.515 4.461 20 30 GIEDRO C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[N@H+](C)C1CC1 ZINC000057714245 823324302 /nfs/dbraw/zinc/32/43/02/823324302.db2.gz INAWXLFPCWHBEB-MRXNPFEDSA-N 1 0 379.529 4.063 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2Cl)cc1 ZINC000572344618 823324861 /nfs/dbraw/zinc/32/48/61/823324861.db2.gz FTQNRHFPGMWASN-DNVCBOLYSA-N 1 0 396.878 4.220 20 30 GIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)cc1C ZINC000015245709 818302200 /nfs/dbraw/zinc/30/22/00/818302200.db2.gz IQUCXGLVVOIUIQ-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)C1 ZINC000122255354 823328482 /nfs/dbraw/zinc/32/84/82/823328482.db2.gz XBWQJAGNNABLBJ-IIBYNOLFSA-N 1 0 395.478 4.292 20 30 GIEDRO COc1cc2[nH]c(CCC[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2c(OC)c1 ZINC000572447229 823341257 /nfs/dbraw/zinc/34/12/57/823341257.db2.gz AFNWQFWRKKJTNF-NRFANRHFSA-N 1 0 375.472 4.266 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000122419570 823351596 /nfs/dbraw/zinc/35/15/96/823351596.db2.gz XFXGKFIHPSHQBF-UHFFFAOYSA-N 1 0 386.927 4.242 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(Cn3cccn3)c2)ccc1OC ZINC000057965907 823351359 /nfs/dbraw/zinc/35/13/59/823351359.db2.gz UNLMSKWJOGFRSW-UHFFFAOYSA-N 1 0 377.488 4.185 20 30 GIEDRO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000572508829 823351358 /nfs/dbraw/zinc/35/13/58/823351358.db2.gz NTWPCSAKOMMSGX-KNQAVFIVSA-N 1 0 393.531 4.104 20 30 GIEDRO COc1cccc([C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[NH+](C)C)c1 ZINC000022683849 818842722 /nfs/dbraw/zinc/84/27/22/818842722.db2.gz ASPMUWKAXUFOKE-XMMPIXPASA-N 1 0 399.494 4.267 20 30 GIEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000177086828 823367805 /nfs/dbraw/zinc/36/78/05/823367805.db2.gz QNHDDUPKBJITIY-UHFFFAOYSA-N 1 0 380.517 4.061 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)cc1 ZINC000022731167 818852093 /nfs/dbraw/zinc/85/20/93/818852093.db2.gz MSYHRQDLVAZMQK-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC)cc1 ZINC000022734155 818852597 /nfs/dbraw/zinc/85/25/97/818852597.db2.gz FEGVWSUCVBGQNW-UHFFFAOYSA-O 1 0 377.480 4.314 20 30 GIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC)cc1 ZINC000022734332 818852634 /nfs/dbraw/zinc/85/26/34/818852634.db2.gz PKQAHIMKGOJNDW-UHFFFAOYSA-O 1 0 377.480 4.314 20 30 GIEDRO CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734262 818852668 /nfs/dbraw/zinc/85/26/68/818852668.db2.gz BLMQNQCSMFIRPK-UHFFFAOYSA-O 1 0 397.470 4.001 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(CC)cc1 ZINC000022796581 818861878 /nfs/dbraw/zinc/86/18/78/818861878.db2.gz CUJDLFLLRMFILQ-UHFFFAOYSA-O 1 0 379.958 4.356 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022797503 818862007 /nfs/dbraw/zinc/86/20/07/818862007.db2.gz BBEYCEFXAFCBSO-UHFFFAOYSA-O 1 0 398.596 4.331 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccccc1CC ZINC000022798001 818862360 /nfs/dbraw/zinc/86/23/60/818862360.db2.gz GJQKLVHMVSVCFB-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022805628 818863227 /nfs/dbraw/zinc/86/32/27/818863227.db2.gz FBJQYYJZBUUGPN-UHFFFAOYSA-O 1 0 387.594 4.470 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000189254880 823381881 /nfs/dbraw/zinc/38/18/81/823381881.db2.gz JCKOPJYLLPOAGC-UHFFFAOYSA-N 1 0 382.470 4.431 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000122702773 823397214 /nfs/dbraw/zinc/39/72/14/823397214.db2.gz AYCXTZVKLZAMKL-UONOGXRCSA-N 1 0 391.393 4.177 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000177213054 823400923 /nfs/dbraw/zinc/40/09/23/823400923.db2.gz ARWGFXRDQHXJNP-JOCHJYFZSA-N 1 0 398.909 4.372 20 30 GIEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cccc4ccccc43)CC2)cc1 ZINC000058525283 823403800 /nfs/dbraw/zinc/40/38/00/823403800.db2.gz UBIICYNWZBYHFF-QFIPXVFZSA-N 1 0 386.495 4.331 20 30 GIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(C#N)ccc3Cl)C2)s1 ZINC000572888423 823414467 /nfs/dbraw/zinc/41/44/67/823414467.db2.gz SIOFGNBZYPJATP-MRXNPFEDSA-N 1 0 387.936 4.176 20 30 GIEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000026227650 820072188 /nfs/dbraw/zinc/07/21/88/820072188.db2.gz IRIIWYHENXBYCS-UHFFFAOYSA-N 1 0 390.512 4.376 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000573143575 823454821 /nfs/dbraw/zinc/45/48/21/823454821.db2.gz QOJDPHRHHVIPRC-PKKBDPGCSA-N 1 0 376.500 4.461 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C)cc2)c1 ZINC000027169316 820205015 /nfs/dbraw/zinc/20/50/15/820205015.db2.gz IGGIURDBWQSKRG-UHFFFAOYSA-O 1 0 394.520 4.287 20 30 GIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000027208131 820209698 /nfs/dbraw/zinc/20/96/98/820209698.db2.gz TWAZZLRAPFGDTE-OAQYLSRUSA-N 1 0 388.467 4.222 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(C)cc2)s1 ZINC000027305535 820223191 /nfs/dbraw/zinc/22/31/91/820223191.db2.gz SYDZNXURWUSQAW-UHFFFAOYSA-O 1 0 395.573 4.424 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC2CCCCC2)cc1 ZINC000027329224 820225297 /nfs/dbraw/zinc/22/52/97/820225297.db2.gz MJDPEXRJMAUGIK-UHFFFAOYSA-O 1 0 384.569 4.343 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc(OC)c1O ZINC000573204644 823465257 /nfs/dbraw/zinc/46/52/57/823465257.db2.gz FROGAUBXNRKHDQ-UHFFFAOYSA-N 1 0 381.520 4.042 20 30 GIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000573193511 823463837 /nfs/dbraw/zinc/46/38/37/823463837.db2.gz ZRRKWGAYHSBIMR-JOCHJYFZSA-N 1 0 378.451 4.197 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)c1 ZINC000027485308 820250534 /nfs/dbraw/zinc/25/05/34/820250534.db2.gz MCSKCECFNXENQN-PXNSSMCTSA-O 1 0 397.564 4.398 20 30 GIEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@H]1[NH+]1CCCC1 ZINC000573219210 823467508 /nfs/dbraw/zinc/46/75/08/823467508.db2.gz IXTJWGDLQWQBOA-QZTJIDSGSA-N 1 0 386.952 4.084 20 30 GIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410346696 823469295 /nfs/dbraw/zinc/46/92/95/823469295.db2.gz KFZVOVNZSQRAFU-HSZRJFAPSA-N 1 0 383.580 4.464 20 30 GIEDRO C=CCCc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000410364268 823475464 /nfs/dbraw/zinc/47/54/64/823475464.db2.gz IGPVBWFKRXULKF-UHFFFAOYSA-N 1 0 377.532 4.346 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1ccccn1)C1CC1)CCCCC2 ZINC000177507610 823478949 /nfs/dbraw/zinc/47/89/49/823478949.db2.gz BVCFIRRBBLBCTG-UHFFFAOYSA-N 1 0 394.544 4.277 20 30 GIEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000177508027 823479351 /nfs/dbraw/zinc/47/93/51/823479351.db2.gz DSUJBXHKAJSWLQ-ROUUACIJSA-N 1 0 379.529 4.312 20 30 GIEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000029384631 820448437 /nfs/dbraw/zinc/44/84/37/820448437.db2.gz OXAIVVNAOOXPEL-UHFFFAOYSA-N 1 0 383.517 4.124 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cc1 ZINC000123221599 823481043 /nfs/dbraw/zinc/48/10/43/823481043.db2.gz LRVSQWTWPMFIFO-AWEZNQCLSA-N 1 0 393.409 4.338 20 30 GIEDRO COc1ccc2c(ccc[n+]2CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000029579007 820479183 /nfs/dbraw/zinc/47/91/83/820479183.db2.gz AQKDMSHBRDQYKM-MRXNPFEDSA-N 1 0 379.505 4.053 20 30 GIEDRO N#CCCN1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000029855941 820533511 /nfs/dbraw/zinc/53/35/11/820533511.db2.gz VNHDSPHXFLEEFX-UHFFFAOYSA-N 1 0 390.350 4.209 20 30 GIEDRO C=CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000123340842 823498604 /nfs/dbraw/zinc/49/86/04/823498604.db2.gz UMPRFOYGFYBYMI-XMMPIXPASA-N 1 0 392.543 4.328 20 30 GIEDRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4cccc(C#N)c4)CC3)oc21 ZINC000189809268 823498889 /nfs/dbraw/zinc/49/88/89/823498889.db2.gz MSBWVOFEHYJWLH-UHFFFAOYSA-N 1 0 388.471 4.216 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244755 823513100 /nfs/dbraw/zinc/51/31/00/823513100.db2.gz YFHYXILGPPFVFY-QGZVFWFLSA-N 1 0 389.590 4.419 20 30 GIEDRO N#Cc1ccccc1COc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000032484182 820957904 /nfs/dbraw/zinc/95/79/04/820957904.db2.gz GXDYLMYASGQRSE-UHFFFAOYSA-N 1 0 391.515 4.133 20 30 GIEDRO CCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc2c(c1)CCCC2 ZINC000032813720 821010981 /nfs/dbraw/zinc/01/09/81/821010981.db2.gz NEWMXQSPAIYKNP-UHFFFAOYSA-O 1 0 381.565 4.326 20 30 GIEDRO CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000060477463 823532563 /nfs/dbraw/zinc/53/25/63/823532563.db2.gz MHPZZHNHPHHCDR-OAHLLOKOSA-N 1 0 393.409 4.125 20 30 GIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000043086334 821359506 /nfs/dbraw/zinc/35/95/06/821359506.db2.gz GXODYKQYWMHJAH-UHFFFAOYSA-N 1 0 390.487 4.021 20 30 GIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043145759 821368053 /nfs/dbraw/zinc/36/80/53/821368053.db2.gz SIGKACSZBNTCPO-AWEZNQCLSA-N 1 0 383.970 4.464 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231985 821378385 /nfs/dbraw/zinc/37/83/85/821378385.db2.gz ZVVXMNKSQWRXDR-KRWDZBQOSA-N 1 0 375.563 4.344 20 30 GIEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771848 821446079 /nfs/dbraw/zinc/44/60/79/821446079.db2.gz UMKGUNKIZZEINU-IRLDBZIGSA-N 1 0 381.907 4.022 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)ccc1OC ZINC000180813310 821474485 /nfs/dbraw/zinc/47/44/85/821474485.db2.gz WKBUEURYEOGUBS-PKOBYXMFSA-N 1 0 395.503 4.192 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccc1OC ZINC000180815901 821476461 /nfs/dbraw/zinc/47/64/61/821476461.db2.gz KWYZYHHDUIOINP-NRFANRHFSA-N 1 0 385.552 4.263 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)ccc1OC ZINC000180816042 821476500 /nfs/dbraw/zinc/47/65/00/821476500.db2.gz HXLLSPDMTYWDDY-WOJBJXKFSA-N 1 0 380.488 4.032 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(c3ccccc3)CC2)ccc1OC ZINC000180816632 821477197 /nfs/dbraw/zinc/47/71/97/821477197.db2.gz URXMCOQIMHQSNW-OAQYLSRUSA-N 1 0 379.504 4.135 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCOc3ccc(OC)cc32)ccc1OC ZINC000180817246 821477307 /nfs/dbraw/zinc/47/73/07/821477307.db2.gz KCEJNAVZQMAIAG-PXNSSMCTSA-N 1 0 396.487 4.388 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000181012817 821593287 /nfs/dbraw/zinc/59/32/87/821593287.db2.gz ABPZLKPJSFCARF-UHFFFAOYSA-N 1 0 392.494 4.117 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)NCc2cccs2)[n+]2cccc(C)c2)c1 ZINC000044558015 821609132 /nfs/dbraw/zinc/60/91/32/821609132.db2.gz PDVXHXRSWOZKCI-UHFFFAOYSA-O 1 0 397.545 4.081 20 30 GIEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181215015 821702272 /nfs/dbraw/zinc/70/22/72/821702272.db2.gz NESOSYMOHUTYLO-OAHLLOKOSA-N 1 0 390.405 4.072 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCSc3ccc(F)cc3)CC2)cc1 ZINC000181399869 821807064 /nfs/dbraw/zinc/80/70/64/821807064.db2.gz GOJQAWFSQWCALP-UHFFFAOYSA-N 1 0 383.536 4.434 20 30 GIEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCCCC1 ZINC000181538150 821872377 /nfs/dbraw/zinc/87/23/77/821872377.db2.gz OSLAODJHVGPSFP-AUSIDOKSSA-N 1 0 393.531 4.475 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000181574581 821885763 /nfs/dbraw/zinc/88/57/63/821885763.db2.gz IZYQFHLMMIPOOO-UKILVPOCSA-N 1 0 389.543 4.280 20 30 GIEDRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181637994 821916307 /nfs/dbraw/zinc/91/63/07/821916307.db2.gz FGQCIPIXXWMVNA-WZONZLPQSA-N 1 0 375.516 4.394 20 30 GIEDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1OC(F)F ZINC000181647774 821921578 /nfs/dbraw/zinc/92/15/78/821921578.db2.gz MKXPINHMODJCCG-CQSZACIVSA-N 1 0 376.403 4.092 20 30 GIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663391 821930427 /nfs/dbraw/zinc/93/04/27/821930427.db2.gz QKTXRKZJHPHHFM-UZLBHIALSA-N 1 0 397.544 4.055 20 30 GIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809708 822001542 /nfs/dbraw/zinc/00/15/42/822001542.db2.gz FCMBAKXIUBSRMY-IERDGZPVSA-N 1 0 383.467 4.210 20 30 GIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809669 822001867 /nfs/dbraw/zinc/00/18/67/822001867.db2.gz FCMBAKXIUBSRMY-KKSFZXQISA-N 1 0 383.467 4.210 20 30 GIEDRO CC[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000181858047 822018317 /nfs/dbraw/zinc/01/83/17/822018317.db2.gz YFIVUJAIASEIPT-NRFANRHFSA-N 1 0 381.495 4.109 20 30 GIEDRO CC(C)C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872893 822022240 /nfs/dbraw/zinc/02/22/40/822022240.db2.gz MVSNGMBGDRKVRQ-IEBWSBKVSA-N 1 0 381.442 4.191 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000181886154 822026687 /nfs/dbraw/zinc/02/66/87/822026687.db2.gz GKLNPOUOYQUIQP-HXUWFJFHSA-N 1 0 388.559 4.474 20 30 GIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181966993 822048157 /nfs/dbraw/zinc/04/81/57/822048157.db2.gz PFRZHNKPKXHXBD-HKUYNNGSSA-N 1 0 381.442 4.191 20 30 GIEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000182011628 822061725 /nfs/dbraw/zinc/06/17/25/822061725.db2.gz FHKZNRWHKAJFSM-ZWKOTPCHSA-N 1 0 379.504 4.265 20 30 GIEDRO Cc1cc(C)n(-c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000182875788 822383986 /nfs/dbraw/zinc/38/39/86/822383986.db2.gz WVXDKTSXQJWQMS-UHFFFAOYSA-N 1 0 385.515 4.437 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938605 822396366 /nfs/dbraw/zinc/39/63/66/822396366.db2.gz IEBOJIRKOFUWBF-FUHWJXTLSA-N 1 0 384.524 4.120 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938623 822396385 /nfs/dbraw/zinc/39/63/85/822396385.db2.gz IEBOJIRKOFUWBF-SJLPKXTDSA-N 1 0 384.524 4.120 20 30 GIEDRO N#CCC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000178755528 822407309 /nfs/dbraw/zinc/40/73/09/822407309.db2.gz FVDMVIVTDNRXRP-QGZVFWFLSA-N 1 0 387.277 4.355 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000045788004 822413774 /nfs/dbraw/zinc/41/37/74/822413774.db2.gz WXBIVNOOEVTLOC-IBGZPJMESA-N 1 0 390.531 4.132 20 30 GIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178832699 822414804 /nfs/dbraw/zinc/41/48/04/822414804.db2.gz AHXJBTLPRJYZRV-UHFFFAOYSA-N 1 0 385.556 4.235 20 30 GIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178895956 822420120 /nfs/dbraw/zinc/42/01/20/822420120.db2.gz ANVJRBOVDXVGHU-QFIPXVFZSA-N 1 0 378.520 4.053 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1OCCCC#N ZINC000183211037 822442331 /nfs/dbraw/zinc/44/23/31/822442331.db2.gz MRGXSVPPAOCPIU-FQEVSTJZSA-N 1 0 384.451 4.170 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000179226377 822453733 /nfs/dbraw/zinc/45/37/33/822453733.db2.gz LYPABGADLHBMSB-UHFFFAOYSA-N 1 0 395.890 4.384 20 30 GIEDRO N#CCOc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000179445228 822484149 /nfs/dbraw/zinc/48/41/49/822484149.db2.gz OPGJLLZPOHCGDW-UHFFFAOYSA-N 1 0 377.488 4.146 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000183534798 822491533 /nfs/dbraw/zinc/49/15/33/822491533.db2.gz LSECPHZNADGTRQ-SJORKVTESA-N 1 0 384.524 4.120 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454652906 822512440 /nfs/dbraw/zinc/51/24/40/822512440.db2.gz IAPDJSUPEDPEOL-UHFFFAOYSA-N 1 0 375.516 4.039 20 30 GIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179614318 822513111 /nfs/dbraw/zinc/51/31/11/822513111.db2.gz XKQIOWDPDNBERO-NWDGAFQWSA-N 1 0 377.391 4.047 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000183718520 822516153 /nfs/dbraw/zinc/51/61/53/822516153.db2.gz FOFQHXUXOPVFDF-OAHLLOKOSA-N 1 0 382.533 4.112 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000183727826 822517434 /nfs/dbraw/zinc/51/74/34/822517434.db2.gz JGDORNITJQOJJO-BEFAXECRSA-N 1 0 393.512 4.081 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)ccc1OC ZINC000183746266 822521211 /nfs/dbraw/zinc/52/12/11/822521211.db2.gz QOIDOAOJFWLIOK-HXUWFJFHSA-N 1 0 396.535 4.447 20 30 GIEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686994 822527446 /nfs/dbraw/zinc/52/74/46/822527446.db2.gz WZMSWHJIIKHIAB-XCLFUZPHSA-N 1 0 395.528 4.185 20 30 GIEDRO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)Nc1ccccc1OC(F)(F)F ZINC000183836584 822533926 /nfs/dbraw/zinc/53/39/26/822533926.db2.gz KEIFOCIGPVFUNS-UHFFFAOYSA-N 1 0 389.381 4.197 20 30 GIEDRO C[C@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nccs1 ZINC000183982091 822557602 /nfs/dbraw/zinc/55/76/02/822557602.db2.gz GCNAYUMYIIXELG-CYBMUJFWSA-N 1 0 388.562 4.019 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)C(c1ccccc1)c1ccccc1 ZINC000184009468 822563114 /nfs/dbraw/zinc/56/31/14/822563114.db2.gz HEYROMLJFPFUCU-INIZCTEOSA-N 1 0 375.497 4.368 20 30 GIEDRO Cn1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179942554 822582082 /nfs/dbraw/zinc/58/20/82/822582082.db2.gz VKDCWLGDAKPECZ-UHFFFAOYSA-N 1 0 396.498 4.215 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1 ZINC000180009748 822595430 /nfs/dbraw/zinc/59/54/30/822595430.db2.gz FNYPPHQIQNMGKU-YLJYHZDGSA-N 1 0 380.492 4.182 20 30 GIEDRO Cn1cc(C[NH2+]CCSCc2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180033765 822601627 /nfs/dbraw/zinc/60/16/27/822601627.db2.gz CRLHOHNTTXPNPM-UHFFFAOYSA-N 1 0 380.492 4.121 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000180044507 822603437 /nfs/dbraw/zinc/60/34/37/822603437.db2.gz AILXYAKMEPUWMT-GOSISDBHSA-N 1 0 392.503 4.285 20 30 GIEDRO Cn1cc(C[NH2+]CCCCOc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180049417 822604449 /nfs/dbraw/zinc/60/44/49/822604449.db2.gz VYHMIRGBINWNPF-UHFFFAOYSA-N 1 0 378.451 4.047 20 30 GIEDRO Cn1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180066298 822607921 /nfs/dbraw/zinc/60/79/21/822607921.db2.gz IGSXUTUQZOIXCW-OAQYLSRUSA-N 1 0 391.563 4.047 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180081907 822611532 /nfs/dbraw/zinc/61/15/32/822611532.db2.gz RBLYWGPNJXZFNB-UHFFFAOYSA-N 1 0 391.540 4.351 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cc(F)cc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180098280 822614838 /nfs/dbraw/zinc/61/48/38/822614838.db2.gz BICLMVNTQSDWRW-UHFFFAOYSA-N 1 0 399.267 4.150 20 30 GIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000184349387 822620203 /nfs/dbraw/zinc/62/02/03/822620203.db2.gz YPYBTWCZESIWBO-CYBMUJFWSA-N 1 0 394.475 4.419 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180154960 822628355 /nfs/dbraw/zinc/62/83/55/822628355.db2.gz UJPAWMRKZHIHOA-UHFFFAOYSA-N 1 0 381.277 4.011 20 30 GIEDRO C=CC[C@H](C)[NH2+][C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000180173905 822632456 /nfs/dbraw/zinc/63/24/56/822632456.db2.gz NOZWXUOXGXJAJY-XJKSGUPXSA-N 1 0 395.288 4.151 20 30 GIEDRO Cc1cccc(NC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000180190393 822636000 /nfs/dbraw/zinc/63/60/00/822636000.db2.gz HLWAPCLYZFZQAL-UHFFFAOYSA-N 1 0 385.515 4.344 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000180255024 822649057 /nfs/dbraw/zinc/64/90/57/822649057.db2.gz NFAQVVDLAIIEET-HNNXBMFYSA-N 1 0 380.879 4.169 20 30 GIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184548030 822655341 /nfs/dbraw/zinc/65/53/41/822655341.db2.gz BYYRALQFGBBRDB-HOTGVXAUSA-N 1 0 384.549 4.086 20 30 GIEDRO N#Cc1cc(Oc2ccc(NC(=O)NCCCCC[NH+]3CCCC3)cc2)ccn1 ZINC000455488433 822664435 /nfs/dbraw/zinc/66/44/35/822664435.db2.gz UVNWPSWHCKBVMX-UHFFFAOYSA-N 1 0 393.491 4.133 20 30 GIEDRO N#CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000048515938 822669408 /nfs/dbraw/zinc/66/94/08/822669408.db2.gz CUWVJANXFLRTEM-UHFFFAOYSA-N 1 0 398.894 4.028 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000048525443 822669625 /nfs/dbraw/zinc/66/96/25/822669625.db2.gz PLZWZAOUQGTUKQ-UHFFFAOYSA-N 1 0 398.510 4.286 20 30 GIEDRO C=CCOc1ccccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180422263 822678825 /nfs/dbraw/zinc/67/88/25/822678825.db2.gz YECZVMFOYHJIQP-UHFFFAOYSA-N 1 0 379.504 4.025 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000048826750 822684842 /nfs/dbraw/zinc/68/48/42/822684842.db2.gz VDXXTASWEAFAIW-OALUTQOASA-N 1 0 390.531 4.493 20 30 GIEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000048828533 822684895 /nfs/dbraw/zinc/68/48/95/822684895.db2.gz ZCXNPXKELSQUOV-OALUTQOASA-N 1 0 390.531 4.351 20 30 GIEDRO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)n2c1 ZINC000180508794 822693448 /nfs/dbraw/zinc/69/34/48/822693448.db2.gz PYPXNQOKDISVTA-HKUYNNGSSA-N 1 0 380.517 4.136 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455699874 822705996 /nfs/dbraw/zinc/70/59/96/822705996.db2.gz HZBZHUVZJOIPKC-UHFFFAOYSA-N 1 0 388.874 4.141 20 30 GIEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455733703 822716609 /nfs/dbraw/zinc/71/66/09/822716609.db2.gz OJEAPONQGXWBRH-OAQYLSRUSA-N 1 0 396.922 4.438 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c(C#N)c1C ZINC000184980491 822721244 /nfs/dbraw/zinc/72/12/44/822721244.db2.gz DHNHCIWBPLUMBV-SFHVURJKSA-N 1 0 379.485 4.342 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455762205 822721820 /nfs/dbraw/zinc/72/18/20/822721820.db2.gz YPIBVHQAVZAOKZ-UHFFFAOYSA-N 1 0 391.928 4.044 20 30 GIEDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000184998232 822723610 /nfs/dbraw/zinc/72/36/10/822723610.db2.gz FAPACOSTXMRZEI-ZDUSSCGKSA-N 1 0 388.562 4.333 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C#N ZINC000455806515 822729722 /nfs/dbraw/zinc/72/97/22/822729722.db2.gz YOEJPMFEEPFLHV-UHFFFAOYSA-N 1 0 384.524 4.218 20 30 GIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCSCc3ccccc3C#N)ccc21 ZINC000455905391 822746037 /nfs/dbraw/zinc/74/60/37/822746037.db2.gz HLUXPMRQEQVMHG-NRFANRHFSA-N 1 0 394.544 4.162 20 30 GIEDRO CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000455917958 822749205 /nfs/dbraw/zinc/74/92/05/822749205.db2.gz KOVUMJPNKFBLAQ-GCJKJVERSA-N 1 0 376.504 4.442 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455921430 822749909 /nfs/dbraw/zinc/74/99/09/822749909.db2.gz OTJLIZXCUVGFRC-GCJKJVERSA-N 1 0 376.504 4.269 20 30 GIEDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000455943830 822754864 /nfs/dbraw/zinc/75/48/64/822754864.db2.gz MEFZJVWDOVRSKI-UHFFFAOYSA-N 1 0 380.517 4.267 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1C#N ZINC000174284316 822762949 /nfs/dbraw/zinc/76/29/49/822762949.db2.gz HQCKRKPVUCJUAB-UHFFFAOYSA-N 1 0 389.430 4.248 20 30 GIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)cccc21 ZINC000456037859 822769564 /nfs/dbraw/zinc/76/95/64/822769564.db2.gz YFGMYFSAZKOTSO-HXUWFJFHSA-N 1 0 377.488 4.151 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@@H+]1C ZINC000174494072 822796490 /nfs/dbraw/zinc/79/64/90/822796490.db2.gz CYWXVTWFKMPSDF-QAPCUYQASA-N 1 0 396.466 4.436 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NC2CCCCC2)cc1 ZINC000185579009 822798599 /nfs/dbraw/zinc/79/85/99/822798599.db2.gz GXAPZZLEMLTRLD-UHFFFAOYSA-O 1 0 392.548 4.269 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000052710610 822808088 /nfs/dbraw/zinc/80/80/88/822808088.db2.gz RVBQEZMYQDWCBY-NEPJUHHUSA-N 1 0 375.831 4.037 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)oc21 ZINC000052712344 822808183 /nfs/dbraw/zinc/80/81/83/822808183.db2.gz HSMJHZGWLXSEPN-CABCVRRESA-N 1 0 377.444 4.381 20 30 GIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C12CCCC2 ZINC000174654007 822818280 /nfs/dbraw/zinc/81/82/80/822818280.db2.gz RFKIZMFMVYYHIQ-NHCUHLMSSA-N 1 0 378.520 4.291 20 30 GIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000185818189 822823903 /nfs/dbraw/zinc/82/39/03/822823903.db2.gz KERGXUCGLCLUCU-RYUDHWBXSA-N 1 0 381.423 4.359 20 30 GIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000185821022 822824314 /nfs/dbraw/zinc/82/43/14/822824314.db2.gz OHPBXQLZHAQONX-IFMALSPDSA-N 1 0 391.515 4.227 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185836168 822825870 /nfs/dbraw/zinc/82/58/70/822825870.db2.gz CKRQJDMXQDFXSM-FQEVSTJZSA-N 1 0 377.479 4.099 20 30 GIEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000457103371 822853395 /nfs/dbraw/zinc/85/33/95/822853395.db2.gz ATFWNZRKCICPJB-QGZVFWFLSA-N 1 0 381.451 4.044 20 30 GIEDRO N#Cc1ccc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000457194518 822859936 /nfs/dbraw/zinc/85/99/36/822859936.db2.gz LHNNRDHBBSCISI-HSZRJFAPSA-N 1 0 390.531 4.183 20 30 GIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000186279372 822869360 /nfs/dbraw/zinc/86/93/60/822869360.db2.gz GYECMGLSOPLRPQ-UHFFFAOYSA-N 1 0 382.895 4.260 20 30 GIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000569113245 822881075 /nfs/dbraw/zinc/88/10/75/822881075.db2.gz WHAHCJLQUOGREA-OAHLLOKOSA-N 1 0 391.906 4.214 20 30 GIEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cn1 ZINC000569136655 822882949 /nfs/dbraw/zinc/88/29/49/822882949.db2.gz DMZRNVNBGLSEAE-UHFFFAOYSA-N 1 0 377.467 4.327 20 30 GIEDRO Cc1ccccc1C(=O)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000055012572 822931016 /nfs/dbraw/zinc/93/10/16/822931016.db2.gz IPADQEXUXSUSMY-UHFFFAOYSA-O 1 0 375.517 4.054 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)Nc1ccccc1C#N ZINC000055013976 822931391 /nfs/dbraw/zinc/93/13/91/822931391.db2.gz AARUEENKRUBGDJ-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCc1cccs1 ZINC000055027347 822932312 /nfs/dbraw/zinc/93/23/12/822932312.db2.gz UZZGJKPQPWBUPE-UHFFFAOYSA-O 1 0 381.546 4.327 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000186691986 822938294 /nfs/dbraw/zinc/93/82/94/822938294.db2.gz BLTDOTDDHWIXDQ-AAEUAGOBSA-N 1 0 381.339 4.469 20 30 GIEDRO CC1(C)CC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC(C)(C)[NH2+]1 ZINC000055160489 822942597 /nfs/dbraw/zinc/94/25/97/822942597.db2.gz IRCJGIHQMARKDF-UHFFFAOYSA-N 1 0 391.515 4.176 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000186713518 822942984 /nfs/dbraw/zinc/94/29/84/822942984.db2.gz HOAUYQAZMMZXPY-ABAIWWIYSA-N 1 0 381.339 4.469 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C)cc1 ZINC000186972037 822989979 /nfs/dbraw/zinc/98/99/79/822989979.db2.gz MALDYSQHKQRLJB-UHFFFAOYSA-O 1 0 381.565 4.488 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 ZINC000186973355 822990227 /nfs/dbraw/zinc/99/02/27/822990227.db2.gz NLORXFRCNNHGBE-UHFFFAOYSA-O 1 0 399.580 4.307 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2cccc(OC)c2)C(=S)NC(C)(C)CC)cc1 ZINC000186979250 822991197 /nfs/dbraw/zinc/99/11/97/822991197.db2.gz MKSWJGWUERTCLV-UHFFFAOYSA-O 1 0 385.553 4.262 20 30 GIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000569978982 822992604 /nfs/dbraw/zinc/99/26/04/822992604.db2.gz OSDSERSUAGBGIR-FQEVSTJZSA-N 1 0 394.567 4.009 20 30 GIEDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570012638 822996662 /nfs/dbraw/zinc/99/66/62/822996662.db2.gz OZAFVVRXPDIHKI-UHFFFAOYSA-N 1 0 395.507 4.331 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000175572758 823000301 /nfs/dbraw/zinc/00/03/01/823000301.db2.gz WCABNSVDJPIHIJ-UHFFFAOYSA-N 1 0 391.540 4.410 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000570409102 823034081 /nfs/dbraw/zinc/03/40/81/823034081.db2.gz CBPSQRXPNWVCCI-UHFFFAOYSA-N 1 0 391.540 4.456 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177896651 823543386 /nfs/dbraw/zinc/54/33/86/823543386.db2.gz HCKQGXABTXDDBX-OXQOHEQNSA-N 1 0 380.467 4.214 20 30 GIEDRO CC[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+](CC)CC ZINC000460978832 823555016 /nfs/dbraw/zinc/55/50/16/823555016.db2.gz KRPJUVXETRWDLF-JOCHJYFZSA-N 1 0 379.504 4.391 20 30 GIEDRO C[C@@](O)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccsc1 ZINC000124102376 823567896 /nfs/dbraw/zinc/56/78/96/823567896.db2.gz IGYURPUYSOAKBB-JOCHJYFZSA-N 1 0 378.497 4.196 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CCCN2CCc3ccccc3C2)ccc1OC ZINC000060946851 823568641 /nfs/dbraw/zinc/56/86/41/823568641.db2.gz UBFFRKXMOZRTGV-UHFFFAOYSA-N 1 0 380.532 4.188 20 30 GIEDRO Cc1csc(C2([NH2+]CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)n1 ZINC000411392361 823569475 /nfs/dbraw/zinc/56/94/75/823569475.db2.gz UZMBWNCUKKNSQJ-UHFFFAOYSA-N 1 0 388.924 4.364 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000411396670 823570101 /nfs/dbraw/zinc/57/01/01/823570101.db2.gz KCBMMPWQRRIKMV-QPPBQGQZSA-N 1 0 385.511 4.201 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)c(F)c1 ZINC000411438083 823574172 /nfs/dbraw/zinc/57/41/72/823574172.db2.gz MHJQRCVEWTVUBP-NSHDSACASA-N 1 0 375.444 4.066 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000411453158 823576192 /nfs/dbraw/zinc/57/61/92/823576192.db2.gz QHILEXYPAFWBRV-MRXNPFEDSA-N 1 0 381.476 4.033 20 30 GIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000411462394 823577572 /nfs/dbraw/zinc/57/75/72/823577572.db2.gz UWHRSOHVFIRDMW-KRWDZBQOSA-N 1 0 379.357 4.309 20 30 GIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1Br)CCc1ccco1 ZINC000411485447 823580366 /nfs/dbraw/zinc/58/03/66/823580366.db2.gz AUFOHBWKRSOAHS-UHFFFAOYSA-N 1 0 377.282 4.101 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061189207 823583015 /nfs/dbraw/zinc/58/30/15/823583015.db2.gz KDFMNGWBDDFITJ-UHFFFAOYSA-N 1 0 395.522 4.185 20 30 GIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190621512 823592549 /nfs/dbraw/zinc/59/25/49/823592549.db2.gz UBLMKTCHTIWWOA-XMSQKQJNSA-N 1 0 375.516 4.005 20 30 GIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1F ZINC000190628644 823593451 /nfs/dbraw/zinc/59/34/51/823593451.db2.gz QMJFMWMDIZKZHI-OALUTQOASA-N 1 0 385.870 4.193 20 30 GIEDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000412019351 823622978 /nfs/dbraw/zinc/62/29/78/823622978.db2.gz FHDNGSWVTUJGSV-KRWDZBQOSA-N 1 0 380.488 4.193 20 30 GIEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000124976928 823642234 /nfs/dbraw/zinc/64/22/34/823642234.db2.gz GKCLNKBYKUJUST-OAHLLOKOSA-N 1 0 383.879 4.076 20 30 GIEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000191093334 823648141 /nfs/dbraw/zinc/64/81/41/823648141.db2.gz BEWIJMUVNAANGK-UHFFFAOYSA-N 1 0 394.519 4.092 20 30 GIEDRO Fc1cc(C(F)(F)F)cc(C2(C[NH2+]Cc3nccn3CC(F)(F)F)CC2)c1 ZINC000191101788 823649438 /nfs/dbraw/zinc/64/94/38/823649438.db2.gz SAYYUYCNZNSTPX-UHFFFAOYSA-N 1 0 395.322 4.425 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)ccc1OC ZINC000191363604 823676823 /nfs/dbraw/zinc/67/68/23/823676823.db2.gz ZGPCIQHJLHWGRH-MAUKXSAKSA-N 1 0 384.524 4.487 20 30 GIEDRO Cc1ccc(CCCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000063594436 823681790 /nfs/dbraw/zinc/68/17/90/823681790.db2.gz POVFTXVAMFXUJT-UHFFFAOYSA-N 1 0 377.532 4.170 20 30 GIEDRO CCCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000125528304 823682891 /nfs/dbraw/zinc/68/28/91/823682891.db2.gz VZOWIIWUEWSKNA-UHFFFAOYSA-N 1 0 398.482 4.082 20 30 GIEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000063722756 823691446 /nfs/dbraw/zinc/69/14/46/823691446.db2.gz WFSRXOAEEDTYSK-UHFFFAOYSA-N 1 0 391.515 4.084 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000191514478 823694239 /nfs/dbraw/zinc/69/42/39/823694239.db2.gz CPSIEPLNQNOWMC-UHFFFAOYSA-N 1 0 398.595 4.030 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C#N)cc1 ZINC000063799309 823697953 /nfs/dbraw/zinc/69/79/53/823697953.db2.gz LAOKDNPWAQZFCH-LJQANCHMSA-N 1 0 390.531 4.495 20 30 GIEDRO CC(C)C[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000574316138 823701580 /nfs/dbraw/zinc/70/15/80/823701580.db2.gz IYFVXLBNEKGDJD-DENIHFKCSA-N 1 0 384.568 4.477 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000574341048 823704847 /nfs/dbraw/zinc/70/48/47/823704847.db2.gz IUVQIWNNUQYOLB-HOTGVXAUSA-N 1 0 378.501 4.099 20 30 GIEDRO C=C[C@@H](CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000574470340 823738838 /nfs/dbraw/zinc/73/88/38/823738838.db2.gz IBWQUTRDJBGKRV-FQEVSTJZSA-N 1 0 378.516 4.136 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)N[C@H](C)Cc2ccccc2)cc1 ZINC000191697951 823739522 /nfs/dbraw/zinc/73/95/22/823739522.db2.gz NMTSZWFKQQPQQM-LJQANCHMSA-O 1 0 389.544 4.442 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000461905535 823748141 /nfs/dbraw/zinc/74/81/41/823748141.db2.gz BAVVVUJOJWLGRS-LJQANCHMSA-N 1 0 375.516 4.210 20 30 GIEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000125955513 823752162 /nfs/dbraw/zinc/75/21/62/823752162.db2.gz PITIRMYGDMYNEP-QZTJIDSGSA-N 1 0 379.504 4.265 20 30 GIEDRO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919628 823754981 /nfs/dbraw/zinc/75/49/81/823754981.db2.gz GKLPBRAWMPGGKP-CVDCTZTESA-N 1 0 375.516 4.251 20 30 GIEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000461954300 823770305 /nfs/dbraw/zinc/77/03/05/823770305.db2.gz CMTKWEHQVSVBAW-PKTZIBPZSA-N 1 0 390.531 4.070 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC1 ZINC000191801549 823772910 /nfs/dbraw/zinc/77/29/10/823772910.db2.gz FBMVCRLZUHMFQL-UHFFFAOYSA-N 1 0 397.504 4.113 20 30 GIEDRO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000462051481 823813148 /nfs/dbraw/zinc/81/31/48/823813148.db2.gz FWWFSYLZOYZMML-KRWDZBQOSA-N 1 0 395.934 4.344 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000126218362 823814569 /nfs/dbraw/zinc/81/45/69/823814569.db2.gz ACDWAHDCHORCQL-CVEARBPZSA-N 1 0 385.895 4.335 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000126234537 823817383 /nfs/dbraw/zinc/81/73/83/823817383.db2.gz CMCUHMZZWQXEAG-HOTGVXAUSA-N 1 0 385.895 4.335 20 30 GIEDRO C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(C#N)c1 ZINC000462081571 823822511 /nfs/dbraw/zinc/82/25/11/823822511.db2.gz CPYPMZBBDQFFRN-MOPGFXCFSA-N 1 0 375.516 4.442 20 30 GIEDRO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cccc(C#N)c1 ZINC000462180552 823857107 /nfs/dbraw/zinc/85/71/07/823857107.db2.gz MUAXICRNWNCWDE-CPJSRVTESA-N 1 0 387.527 4.176 20 30 GIEDRO N#CCCCOc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000574943752 823867008 /nfs/dbraw/zinc/86/70/08/823867008.db2.gz LFYDTYWFNKUDGR-UHFFFAOYSA-N 1 0 393.462 4.423 20 30 GIEDRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462239669 823890892 /nfs/dbraw/zinc/89/08/92/823890892.db2.gz ZQQCFDPUPJXPHC-IGKWTDBASA-N 1 0 387.527 4.175 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126567022 823900738 /nfs/dbraw/zinc/90/07/38/823900738.db2.gz XFFGFGOHZZDYJN-MRXNPFEDSA-N 1 0 384.911 4.046 20 30 GIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000126579224 823904312 /nfs/dbraw/zinc/90/43/12/823904312.db2.gz AHGMGCJYYWFBSE-QGZVFWFLSA-N 1 0 396.922 4.190 20 30 GIEDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2=O)ccc1Br ZINC000462335312 823929041 /nfs/dbraw/zinc/92/90/41/823929041.db2.gz BINPCWRCGJTVFQ-IFXJQAMLSA-N 1 0 398.304 4.085 20 30 GIEDRO COCCCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000065165754 823956509 /nfs/dbraw/zinc/95/65/09/823956509.db2.gz GZMDZNPNJDRTGX-UHFFFAOYSA-N 1 0 385.895 4.079 20 30 GIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000192376919 823964899 /nfs/dbraw/zinc/96/48/99/823964899.db2.gz QLDKMDFONWDWAH-URXFXBBRSA-N 1 0 386.499 4.331 20 30 GIEDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462434490 823973768 /nfs/dbraw/zinc/97/37/68/823973768.db2.gz CXGKXLDESBWSIV-DENIHFKCSA-N 1 0 375.516 4.080 20 30 GIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000126902034 823977040 /nfs/dbraw/zinc/97/70/40/823977040.db2.gz KJFQLDCZSDGLLM-UHFFFAOYSA-N 1 0 379.500 4.074 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000575769914 823989799 /nfs/dbraw/zinc/98/97/99/823989799.db2.gz ROWQJIVGEJZWOH-SFHVURJKSA-N 1 0 382.508 4.025 20 30 GIEDRO C=C(C)COc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000127133280 824023616 /nfs/dbraw/zinc/02/36/16/824023616.db2.gz FWDFCECFXPZTNV-GOSISDBHSA-N 1 0 392.503 4.424 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H](C)c1cccs1)[n+]1ccccc1 ZINC000171022831 824040136 /nfs/dbraw/zinc/04/01/36/824040136.db2.gz HBRUYXWFBYRACJ-HNNXBMFYSA-O 1 0 397.545 4.334 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414899827 824047516 /nfs/dbraw/zinc/04/75/16/824047516.db2.gz GIIVZVZOUYTZST-GPMSIDNRSA-N 1 0 382.895 4.387 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000414904768 824048473 /nfs/dbraw/zinc/04/84/73/824048473.db2.gz NJELCQRPWQAFLP-WNYOCNMUSA-N 1 0 382.895 4.196 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000414908658 824049123 /nfs/dbraw/zinc/04/91/23/824049123.db2.gz QNDMEHCEMUCSBH-WBVHZDCISA-N 1 0 392.837 4.099 20 30 GIEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915682 824049534 /nfs/dbraw/zinc/04/95/34/824049534.db2.gz ZKJNZYOAYBOTMS-MJGOQNOKSA-N 1 0 384.911 4.490 20 30 GIEDRO CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000414914903 824049540 /nfs/dbraw/zinc/04/95/40/824049540.db2.gz YFCBLRIFZVRZPD-QUCCMNQESA-N 1 0 382.895 4.196 20 30 GIEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414959994 824054187 /nfs/dbraw/zinc/05/41/87/824054187.db2.gz GPSVIAQYJXMGHI-HNNXBMFYSA-N 1 0 384.867 4.077 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1C[NH3+] ZINC000414965127 824054703 /nfs/dbraw/zinc/05/47/03/824054703.db2.gz NCLOZGFUXXFINL-GDBMZVCRSA-N 1 0 398.894 4.453 20 30 GIEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414968135 824055587 /nfs/dbraw/zinc/05/55/87/824055587.db2.gz RIADIHJHWZRSOU-MRXNPFEDSA-N 1 0 384.867 4.220 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(C#N)cc43)C[C@H]21 ZINC001165029497 721808788 /nfs/dbraw/zinc/80/87/88/721808788.db2.gz ZOCMSSDQLZVGEX-AGILITTLSA-N 1 0 397.526 4.238 20 30 GIEDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)C1 ZINC001165039738 721899794 /nfs/dbraw/zinc/89/97/94/721899794.db2.gz ZTWKZGCDJSTDNM-GFCCVEGCSA-N 1 0 399.272 4.489 20 30 GIEDRO CC1CCC([NH+]2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000458801090 823088024 /nfs/dbraw/zinc/08/80/24/823088024.db2.gz MLOVJHHJDRGSCL-VTLFHKLASA-N 1 0 382.552 4.327 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000458803293 823088497 /nfs/dbraw/zinc/08/84/97/823088497.db2.gz QXMXUIRZGGBEAH-QHCPKHFHSA-N 1 0 390.531 4.339 20 30 GIEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056162000 823093337 /nfs/dbraw/zinc/09/33/37/823093337.db2.gz PKMCIJBVHWNTPK-HOTGVXAUSA-N 1 0 381.476 4.033 20 30 GIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176020767 823097896 /nfs/dbraw/zinc/09/78/96/823097896.db2.gz LLVDQLWGKTTXQG-UHFFFAOYSA-N 1 0 379.529 4.005 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C1 ZINC000176014519 823096109 /nfs/dbraw/zinc/09/61/09/823096109.db2.gz ZOGYHJNIKLHRNL-GOSISDBHSA-N 1 0 393.556 4.464 20 30 GIEDRO N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000570909100 823106275 /nfs/dbraw/zinc/10/62/75/823106275.db2.gz LHGBFDDVZXKGKA-GASCZTMLSA-N 1 0 398.919 4.046 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)oc21 ZINC000176076858 823113627 /nfs/dbraw/zinc/11/36/27/823113627.db2.gz KIVSACGDDWNNCG-ZDUSSCGKSA-N 1 0 383.473 4.444 20 30 GIEDRO C=C(C)[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782856 823131884 /nfs/dbraw/zinc/13/18/84/823131884.db2.gz TZADVPSPZNBAIW-FQEVSTJZSA-N 1 0 395.471 4.044 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187797974 823135434 /nfs/dbraw/zinc/13/54/34/823135434.db2.gz ZTJVJKDDQDXYMI-LAUBAEHRSA-N 1 0 392.503 4.010 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000121334889 823165270 /nfs/dbraw/zinc/16/52/70/823165270.db2.gz GUGOTNBASWXBNC-HNNXBMFYSA-N 1 0 375.394 4.303 20 30 GIEDRO Cc1coc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc12 ZINC000188019215 823172815 /nfs/dbraw/zinc/17/28/15/823172815.db2.gz BEQFDVOHGWOIPD-UHFFFAOYSA-N 1 0 376.460 4.209 20 30 GIEDRO CC(C)[NH+](CCn1c(SCCCCC#N)nc2ccccc2c1=O)C(C)C ZINC000121507854 823196962 /nfs/dbraw/zinc/19/69/62/823196962.db2.gz BRXNVKCXIZHCDG-UHFFFAOYSA-N 1 0 386.565 4.301 20 30 GIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000121516528 823198415 /nfs/dbraw/zinc/19/84/15/823198415.db2.gz XNZMJSBPLBHLMP-CQSZACIVSA-N 1 0 381.423 4.422 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000571613405 823209216 /nfs/dbraw/zinc/20/92/16/823209216.db2.gz JVMTYOXELYJKQI-CDNTWCJUSA-N 1 0 381.545 4.163 20 30 GIEDRO N#CCC[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000188258376 823210206 /nfs/dbraw/zinc/21/02/06/823210206.db2.gz KMQHTTJHUUKQKH-OBFZPWGMSA-N 1 0 387.483 4.228 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000056800430 823215861 /nfs/dbraw/zinc/21/58/61/823215861.db2.gz HOUAMYCIVWDHGL-UHFFFAOYSA-N 1 0 390.487 4.219 20 30 GIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000571674888 823217327 /nfs/dbraw/zinc/21/73/27/823217327.db2.gz HEGJMAQWZYXJNY-QFIPXVFZSA-N 1 0 376.435 4.345 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176500298 823222316 /nfs/dbraw/zinc/22/23/16/823222316.db2.gz UBEFFGJOQDNORD-UHFFFAOYSA-N 1 0 380.536 4.053 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000176559172 823236992 /nfs/dbraw/zinc/23/69/92/823236992.db2.gz NZZKMPRVAKRMAV-UHFFFAOYSA-N 1 0 397.548 4.073 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121750362 823242697 /nfs/dbraw/zinc/24/26/97/823242697.db2.gz KXUGYPGUORNUDL-GFCCVEGCSA-N 1 0 391.422 4.061 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459665212 823245367 /nfs/dbraw/zinc/24/53/67/823245367.db2.gz JYRKYCUNHXFTIZ-ZIAGYGMSSA-N 1 0 383.517 4.103 20 30 GIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)cc(Br)c1OC(F)F ZINC000459706165 823254272 /nfs/dbraw/zinc/25/42/72/823254272.db2.gz YRYCTRAVPAVYQJ-UHFFFAOYSA-N 1 0 377.229 4.089 20 30 GIEDRO CC1(C)[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1ccccc1 ZINC000459725424 823256923 /nfs/dbraw/zinc/25/69/23/823256923.db2.gz ZYDCDHUGYFBYMQ-VXKWHMMOSA-N 1 0 385.515 4.388 20 30 GIEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1Cl ZINC000459745671 823259514 /nfs/dbraw/zinc/25/95/14/823259514.db2.gz GZTBEIHRBWRDKN-UHFFFAOYSA-N 1 0 385.895 4.305 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1OC(F)F ZINC000572051043 823274482 /nfs/dbraw/zinc/27/44/82/823274482.db2.gz XZCOTAWBEQWEOQ-UHFFFAOYSA-N 1 0 386.320 4.477 20 30 GIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000572197228 823297943 /nfs/dbraw/zinc/29/79/43/823297943.db2.gz XMIOJQHKWYIDAY-HXUWFJFHSA-N 1 0 385.895 4.032 20 30 GIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000015245786 818302275 /nfs/dbraw/zinc/30/22/75/818302275.db2.gz BOPZCWGUGWKDIF-UHFFFAOYSA-O 1 0 390.532 4.399 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)ccc1OC ZINC000057965798 823351297 /nfs/dbraw/zinc/35/12/97/823351297.db2.gz ODSKXPSBIDJYDH-UHFFFAOYSA-N 1 0 394.515 4.062 20 30 GIEDRO COCCCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000177046529 823358766 /nfs/dbraw/zinc/35/87/66/823358766.db2.gz JAAGVZWPFVLOKL-UHFFFAOYSA-N 1 0 385.533 4.104 20 30 GIEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000409978912 823360860 /nfs/dbraw/zinc/36/08/60/823360860.db2.gz RYZMAUZEIFVYSC-IBGZPJMESA-N 1 0 391.515 4.018 20 30 GIEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000572565674 823361957 /nfs/dbraw/zinc/36/19/57/823361957.db2.gz CXTSWHVZXIEYNZ-XLIONFOSSA-N 1 0 395.469 4.061 20 30 GIEDRO C=CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000189130364 823362082 /nfs/dbraw/zinc/36/20/82/823362082.db2.gz YKGUOPAUFYUPTQ-FQEVSTJZSA-N 1 0 379.504 4.184 20 30 GIEDRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2CC2)cc1 ZINC000022688818 818845045 /nfs/dbraw/zinc/84/50/45/818845045.db2.gz DWAGTVMASOOCSQ-UHFFFAOYSA-O 1 0 393.576 4.451 20 30 GIEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460374436 823368366 /nfs/dbraw/zinc/36/83/66/823368366.db2.gz LEZZPIBGJFVXOU-VQIMIIECSA-N 1 0 385.943 4.238 20 30 GIEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735400 818853243 /nfs/dbraw/zinc/85/32/43/818853243.db2.gz GOUGPCGFULVKDU-UHFFFAOYSA-O 1 0 397.470 4.023 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CCC)cc1 ZINC000022797965 818862315 /nfs/dbraw/zinc/86/23/15/818862315.db2.gz RJXHCMGTANKXOW-UHFFFAOYSA-O 1 0 397.564 4.430 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022798030 818862542 /nfs/dbraw/zinc/86/25/42/818862542.db2.gz KDZLNTAYAIHAIW-UHFFFAOYSA-O 1 0 396.580 4.268 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022804940 818862900 /nfs/dbraw/zinc/86/29/00/818862900.db2.gz LHPBADTXTGWLSY-UHFFFAOYSA-O 1 0 386.585 4.165 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Oc2ccccc2)cc1)C(=S)NC ZINC000024566593 819072060 /nfs/dbraw/zinc/07/20/60/819072060.db2.gz HEDPJXZHONFTMW-UHFFFAOYSA-O 1 0 391.516 4.487 20 30 GIEDRO CSc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000058396987 823385930 /nfs/dbraw/zinc/38/59/30/823385930.db2.gz XXYDNDSZOKQWQB-UHFFFAOYSA-N 1 0 381.545 4.149 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122695409 823396007 /nfs/dbraw/zinc/39/60/07/823396007.db2.gz WIVGBBIQJNUILN-LSDHHAIUSA-N 1 0 397.441 4.009 20 30 GIEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572829405 823406647 /nfs/dbraw/zinc/40/66/47/823406647.db2.gz DZKUHFYOLVVKFK-QGZVFWFLSA-N 1 0 383.458 4.014 20 30 GIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1 ZINC000572950565 823425575 /nfs/dbraw/zinc/42/55/75/823425575.db2.gz UVTRBTMFKGEJJG-QAQDUYKDSA-N 1 0 383.517 4.062 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189518055 823435662 /nfs/dbraw/zinc/43/56/62/823435662.db2.gz JGKGIWSFMUYQJD-UHFFFAOYSA-N 1 0 391.928 4.163 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460571461 823438740 /nfs/dbraw/zinc/43/87/40/823438740.db2.gz HUIMGMPAUWGBFT-HKUYNNGSSA-N 1 0 399.970 4.161 20 30 GIEDRO N#Cc1cc(F)cc(C2(c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)CC2)c1 ZINC000573135448 823452360 /nfs/dbraw/zinc/45/23/60/823452360.db2.gz UZPRTQUTTYDILV-UHFFFAOYSA-N 1 0 388.446 4.423 20 30 GIEDRO COc1cc(C[N@H+](CCCC2(C#N)CCOCC2)C2CC2)ccc1OC(F)F ZINC000410301307 823455775 /nfs/dbraw/zinc/45/57/75/823455775.db2.gz SSFIVDHBZMDNIL-UHFFFAOYSA-N 1 0 394.462 4.362 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccccc1CC ZINC000027058959 820187066 /nfs/dbraw/zinc/18/70/66/820187066.db2.gz APTWXZCWLDCDTH-UHFFFAOYSA-O 1 0 381.565 4.485 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1cccc(C)c1)[n+]1ccccc1 ZINC000027173712 820205856 /nfs/dbraw/zinc/20/58/56/820205856.db2.gz UCKYHSHJXSSKGY-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c(OC)c1 ZINC000027183180 820206933 /nfs/dbraw/zinc/20/69/33/820206933.db2.gz CNSYIGQBVSFKNK-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(C)c1 ZINC000027479478 820250026 /nfs/dbraw/zinc/25/00/26/820250026.db2.gz QWDPERRAMKQSQZ-UHFFFAOYSA-O 1 0 399.605 4.053 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cccc(C)c1 ZINC000027482791 820250697 /nfs/dbraw/zinc/25/06/97/820250697.db2.gz GJKNFTVQRNUINS-UHFFFAOYSA-O 1 0 387.594 4.181 20 30 GIEDRO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000189637245 823464271 /nfs/dbraw/zinc/46/42/71/823464271.db2.gz KEXLKQSRROXSHX-VJBMBRPKSA-N 1 0 377.532 4.158 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000177475107 823471160 /nfs/dbraw/zinc/47/11/60/823471160.db2.gz APPGTVYGNCJVEZ-QRVBRYPASA-N 1 0 379.504 4.112 20 30 GIEDRO N#Cc1c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000058933033 823471932 /nfs/dbraw/zinc/47/19/32/823471932.db2.gz VUWFJCUVESNKNS-UHFFFAOYSA-N 1 0 378.907 4.172 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573296006 823477336 /nfs/dbraw/zinc/47/73/36/823477336.db2.gz BPHNARNHSYGNSG-ZEJGCCENSA-N 1 0 381.545 4.021 20 30 GIEDRO C=CCN1CC[C@H]([N@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O ZINC000410381511 823482012 /nfs/dbraw/zinc/48/20/12/823482012.db2.gz LYWZOJNTJORHRJ-QFIPXVFZSA-N 1 0 378.516 4.360 20 30 GIEDRO Cc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000029985591 820561175 /nfs/dbraw/zinc/56/11/75/820561175.db2.gz SZYRIEUGSMTZAF-UHFFFAOYSA-N 1 0 395.934 4.187 20 30 GIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC000059390920 823495048 /nfs/dbraw/zinc/49/50/48/823495048.db2.gz KRFGEVXVYQMKCD-UHFFFAOYSA-N 1 0 383.536 4.377 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000030532747 820634032 /nfs/dbraw/zinc/63/40/32/820634032.db2.gz PRATZLGNJVEUBT-RXVVDRJESA-N 1 0 388.467 4.441 20 30 GIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2CC)c(OC)c1 ZINC000030537256 820635862 /nfs/dbraw/zinc/63/58/62/820635862.db2.gz LJYDRQHDPRNBPF-MJGOQNOKSA-N 1 0 387.545 4.234 20 30 GIEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000573465674 823493088 /nfs/dbraw/zinc/49/30/88/823493088.db2.gz IGFZZDBARXMEJP-INIZCTEOSA-N 1 0 383.293 4.079 20 30 GIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177584515 823496613 /nfs/dbraw/zinc/49/66/13/823496613.db2.gz DGTSPSPSIFFOLH-HXUWFJFHSA-N 1 0 381.438 4.107 20 30 GIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786562 823512193 /nfs/dbraw/zinc/51/21/93/823512193.db2.gz KIMFOYXSBJZIJN-UXHICEINSA-N 1 0 397.567 4.051 20 30 GIEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000032768845 821006391 /nfs/dbraw/zinc/00/63/91/821006391.db2.gz WCLLCHHIAPGKIO-IFMALSPDSA-N 1 0 397.515 4.009 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-c4nc5ccccc5[nH]4)cc3)n2c1 ZINC000123759521 823538212 /nfs/dbraw/zinc/53/82/12/823538212.db2.gz DJHMGEFQGLAKIN-UHFFFAOYSA-N 1 0 378.439 4.039 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180800431 821465503 /nfs/dbraw/zinc/46/55/03/821465503.db2.gz MAFKYHYLYGTNTF-HOCLYGCPSA-N 1 0 378.398 4.030 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)ccc1OC ZINC000180813197 821474515 /nfs/dbraw/zinc/47/45/15/821474515.db2.gz PTLZRCNNMFQVJQ-YADHBBJMSA-N 1 0 393.531 4.130 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815467 821475752 /nfs/dbraw/zinc/47/57/52/821475752.db2.gz QGJKBUUFBXSCHM-WBVHZDCISA-N 1 0 384.476 4.244 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000180816720 821477341 /nfs/dbraw/zinc/47/73/41/821477341.db2.gz XBPCYILNLXDWJA-FXAWDEMLSA-N 1 0 378.472 4.239 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180899541 821523437 /nfs/dbraw/zinc/52/34/37/821523437.db2.gz YKVBMLGAUODGFU-SFHVURJKSA-N 1 0 376.504 4.084 20 30 GIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000181139902 821658601 /nfs/dbraw/zinc/65/86/01/821658601.db2.gz MMWSNDZMYWNLBS-ZEQRLZLVSA-N 1 0 390.458 4.313 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-n2cccn2)cc1 ZINC000181230730 821708877 /nfs/dbraw/zinc/70/88/77/821708877.db2.gz FHKHYTLRQSTZMQ-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCSCc3ccccc3F)CC2)cc1 ZINC000181411564 821811840 /nfs/dbraw/zinc/81/18/40/821811840.db2.gz BKIVPRURIKATIM-UHFFFAOYSA-N 1 0 383.536 4.185 20 30 GIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000181537231 821872690 /nfs/dbraw/zinc/87/26/90/821872690.db2.gz KIXBYWDBNOULJM-MRXNPFEDSA-N 1 0 385.458 4.182 20 30 GIEDRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181637978 821916263 /nfs/dbraw/zinc/91/62/63/821916263.db2.gz FGQCIPIXXWMVNA-JPYJTQIMSA-N 1 0 375.516 4.394 20 30 GIEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181653472 821924331 /nfs/dbraw/zinc/92/43/31/821924331.db2.gz ZRXGGDDNYLDFMV-ROUUACIJSA-N 1 0 376.504 4.226 20 30 GIEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000181752638 821977351 /nfs/dbraw/zinc/97/73/51/821977351.db2.gz NLHPHLSRWOKBTQ-UHFFFAOYSA-N 1 0 394.519 4.136 20 30 GIEDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2)n1 ZINC000181934216 822039567 /nfs/dbraw/zinc/03/95/67/822039567.db2.gz KUTGJZVNNIGXMB-MRXNPFEDSA-N 1 0 376.460 4.095 20 30 GIEDRO CC(C)c1ccccc1OCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181950025 822043268 /nfs/dbraw/zinc/04/32/68/822043268.db2.gz UOKKUTZQOGWGRT-UHFFFAOYSA-N 1 0 377.532 4.315 20 30 GIEDRO CCc1ccc(C)[n+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700358 822354636 /nfs/dbraw/zinc/35/46/36/822354636.db2.gz QVYCRMYBVBYAGR-LJQANCHMSA-N 1 0 377.430 4.227 20 30 GIEDRO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453415176 822359788 /nfs/dbraw/zinc/35/97/88/822359788.db2.gz RDBFKOOGACFAAG-ROUUACIJSA-N 1 0 389.588 4.041 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000178579747 822393739 /nfs/dbraw/zinc/39/37/39/822393739.db2.gz BCKLGECUODLCHO-DNVCBOLYSA-N 1 0 377.529 4.052 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000178579735 822393773 /nfs/dbraw/zinc/39/37/73/822393773.db2.gz BCKLGECUODLCHO-HNAYVOBHSA-N 1 0 377.529 4.052 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182943326 822397448 /nfs/dbraw/zinc/39/74/48/822397448.db2.gz NNQOXABPMYWITQ-RXVVDRJESA-N 1 0 382.552 4.133 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178687767 822402873 /nfs/dbraw/zinc/40/28/73/822402873.db2.gz ZPGCQEUMFXUXCZ-STQMWFEESA-N 1 0 386.839 4.106 20 30 GIEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178768372 822408216 /nfs/dbraw/zinc/40/82/16/822408216.db2.gz KVZVXTGZWQPFDI-HSZRJFAPSA-N 1 0 390.531 4.038 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000045736606 822409755 /nfs/dbraw/zinc/40/97/55/822409755.db2.gz WDGBZCIBNQYLAF-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000178802426 822411884 /nfs/dbraw/zinc/41/18/84/822411884.db2.gz VRLCLPJZPUXXDC-FXAWDEMLSA-N 1 0 376.516 4.075 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000179388204 822475273 /nfs/dbraw/zinc/47/52/73/822475273.db2.gz LGDAZRGMQWDNQQ-IRXDYDNUSA-N 1 0 387.524 4.103 20 30 GIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000046817607 822520902 /nfs/dbraw/zinc/52/09/02/822520902.db2.gz QVYYQJDUEWXIOO-STQMWFEESA-N 1 0 377.366 4.135 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000046886796 822526850 /nfs/dbraw/zinc/52/68/50/822526850.db2.gz VKZZVLXGAPTXTO-HXUWFJFHSA-N 1 0 396.560 4.234 20 30 GIEDRO C=CCOc1ccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1OC ZINC000183780293 822527361 /nfs/dbraw/zinc/52/73/61/822527361.db2.gz MIIQCKZLAWYGRY-UHFFFAOYSA-N 1 0 397.519 4.071 20 30 GIEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686953 822527383 /nfs/dbraw/zinc/52/73/83/822527383.db2.gz WZMSWHJIIKHIAB-RNODOKPDSA-N 1 0 395.528 4.185 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc3ccccc3n2C2CC2)c1 ZINC000183836064 822533973 /nfs/dbraw/zinc/53/39/73/822533973.db2.gz CTRYQNZAYBOZHI-UHFFFAOYSA-N 1 0 393.491 4.095 20 30 GIEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000179789872 822553653 /nfs/dbraw/zinc/55/36/53/822553653.db2.gz ITTYAAMUVUJIHY-VQIMIIECSA-N 1 0 376.460 4.051 20 30 GIEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1 ZINC000047273442 822560735 /nfs/dbraw/zinc/56/07/35/822560735.db2.gz SDESYEDYNDXERL-KRWDZBQOSA-N 1 0 398.532 4.351 20 30 GIEDRO C#CCCCCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179877230 822570028 /nfs/dbraw/zinc/57/00/28/822570028.db2.gz VRYMUOFXGQUQMO-UHFFFAOYSA-N 1 0 380.454 4.322 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1OCCCC#N ZINC000184137153 822584355 /nfs/dbraw/zinc/58/43/55/822584355.db2.gz RSWJMAFZPZWGQL-UHFFFAOYSA-N 1 0 386.879 4.256 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001354 822593418 /nfs/dbraw/zinc/59/34/18/822593418.db2.gz MTFACXWJHSLBCC-WZONZLPQSA-N 1 0 388.515 4.005 20 30 GIEDRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000184192163 822593757 /nfs/dbraw/zinc/59/37/57/822593757.db2.gz RMTZBRKNKAOOOM-ZDUSSCGKSA-N 1 0 388.562 4.333 20 30 GIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028705 822600467 /nfs/dbraw/zinc/60/04/67/822600467.db2.gz XUNSOPCAXWMIJG-MGPUTAFESA-N 1 0 377.488 4.448 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000180031838 822601262 /nfs/dbraw/zinc/60/12/62/822601262.db2.gz RLYBXTRKDTWDKV-ZWKOTPCHSA-N 1 0 380.492 4.010 20 30 GIEDRO C[C@H](CCNC(=O)Nc1ccccc1O[C@@H](C)C#N)[N@H+](C)Cc1ccccc1 ZINC000180031820 822601280 /nfs/dbraw/zinc/60/12/80/822601280.db2.gz RLYBXTRKDTWDKV-MSOLQXFVSA-N 1 0 380.492 4.010 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)c(C)c2c1 ZINC000184329868 822616351 /nfs/dbraw/zinc/61/63/51/822616351.db2.gz YRSUCURFPGASMA-CYBMUJFWSA-N 1 0 381.432 4.121 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)c(C)c2c1 ZINC000184332084 822616798 /nfs/dbraw/zinc/61/67/98/822616798.db2.gz FIVLFJWIIYHKGH-CYBMUJFWSA-N 1 0 383.473 4.362 20 30 GIEDRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000048143143 822638568 /nfs/dbraw/zinc/63/85/68/822638568.db2.gz DWQWSDSIFMPKBU-UHFFFAOYSA-N 1 0 392.503 4.005 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000180221441 822642043 /nfs/dbraw/zinc/64/20/43/822642043.db2.gz GPUHOMXWDOZAQU-KRWDZBQOSA-N 1 0 390.508 4.480 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccsc1 ZINC000048228555 822647074 /nfs/dbraw/zinc/64/70/74/822647074.db2.gz DRPHPJWJEDPABM-IBGZPJMESA-N 1 0 387.574 4.052 20 30 GIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000184513721 822648662 /nfs/dbraw/zinc/64/86/62/822648662.db2.gz DYFLGDAPVBALJU-ZDUSSCGKSA-N 1 0 390.940 4.185 20 30 GIEDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1F ZINC000180280156 822653833 /nfs/dbraw/zinc/65/38/33/822653833.db2.gz QOQHLXIMGXSNGD-IBGZPJMESA-N 1 0 378.451 4.045 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000184541184 822654235 /nfs/dbraw/zinc/65/42/35/822654235.db2.gz BLUDBSDXWKUDJC-QVKFZJNVSA-N 1 0 384.549 4.132 20 30 GIEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCN2C2CC2)c1 ZINC000180375939 822671987 /nfs/dbraw/zinc/67/19/87/822671987.db2.gz QBVPQVHWUXLIIF-PKKBDPGCSA-N 1 0 391.515 4.054 20 30 GIEDRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1 ZINC000048825489 822684601 /nfs/dbraw/zinc/68/46/01/822684601.db2.gz DJHIDRPSSRJZOX-OALUTQOASA-N 1 0 390.531 4.493 20 30 GIEDRO CSCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184819813 822695405 /nfs/dbraw/zinc/69/54/05/822695405.db2.gz FJKRRCNFXCOVGG-UHFFFAOYSA-N 1 0 394.544 4.161 20 30 GIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000180524540 822696039 /nfs/dbraw/zinc/69/60/39/822696039.db2.gz QOHZOJQSTOWTMC-KRWDZBQOSA-N 1 0 397.548 4.004 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000180538661 822698707 /nfs/dbraw/zinc/69/87/07/822698707.db2.gz OGMIJMKQXGCKMC-UHFFFAOYSA-N 1 0 395.469 4.245 20 30 GIEDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180552518 822701082 /nfs/dbraw/zinc/70/10/82/822701082.db2.gz HZLKYEIKOIWSCV-AWEZNQCLSA-N 1 0 391.393 4.115 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455697251 822705253 /nfs/dbraw/zinc/70/52/53/822705253.db2.gz DLORAYGISPBPTE-OXJNMPFZSA-N 1 0 396.922 4.438 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000455805291 822729550 /nfs/dbraw/zinc/72/95/50/822729550.db2.gz WZCXKOLRJMHEHT-UHFFFAOYSA-N 1 0 384.524 4.264 20 30 GIEDRO C[C@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455876458 822741062 /nfs/dbraw/zinc/74/10/62/822741062.db2.gz OMOFGCJKJRKAOX-WMZHIEFXSA-N 1 0 389.543 4.296 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C#N)c1C ZINC000051132520 822747331 /nfs/dbraw/zinc/74/73/31/822747331.db2.gz PZZKHVQNZCXSOI-NBHGPNQESA-N 1 0 395.503 4.195 20 30 GIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)CC1 ZINC000455939339 822753440 /nfs/dbraw/zinc/75/34/40/822753440.db2.gz FUDNNIZLJKNGMY-UHFFFAOYSA-N 1 0 376.504 4.306 20 30 GIEDRO Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000456000988 822764493 /nfs/dbraw/zinc/76/44/93/822764493.db2.gz LSAKZOKXARXQHF-GCJKJVERSA-N 1 0 376.504 4.384 20 30 GIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)cccc21 ZINC000456037857 822769561 /nfs/dbraw/zinc/76/95/61/822769561.db2.gz YFGMYFSAZKOTSO-FQEVSTJZSA-N 1 0 377.488 4.151 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)cc1C#N ZINC000174324364 822771027 /nfs/dbraw/zinc/77/10/27/822771027.db2.gz VXBBGNQBJVZBGE-UHFFFAOYSA-N 1 0 382.467 4.255 20 30 GIEDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000456174950 822786381 /nfs/dbraw/zinc/78/63/81/822786381.db2.gz UCDBVEQEPLSNQI-UHFFFAOYSA-N 1 0 379.504 4.395 20 30 GIEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174494136 822796605 /nfs/dbraw/zinc/79/66/05/822796605.db2.gz NFLXDNLSAQTIMU-UHFFFAOYSA-N 1 0 396.466 4.484 20 30 GIEDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174496076 822796808 /nfs/dbraw/zinc/79/68/08/822796808.db2.gz KMNYSONHZIFMQT-UHFFFAOYSA-N 1 0 382.439 4.048 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000174496924 822796958 /nfs/dbraw/zinc/79/69/58/822796958.db2.gz CHOJOKJTEPBOLJ-GOSISDBHSA-N 1 0 394.450 4.192 20 30 GIEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185582197 822798997 /nfs/dbraw/zinc/79/89/97/822798997.db2.gz XWTRDQAQDLLYAG-MRXNPFEDSA-O 1 0 392.548 4.051 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000174538991 822802739 /nfs/dbraw/zinc/80/27/39/822802739.db2.gz FVZGWIZDYFITNC-QGZVFWFLSA-N 1 0 379.529 4.123 20 30 GIEDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000174543277 822803248 /nfs/dbraw/zinc/80/32/48/822803248.db2.gz QGIYDQTTXYNYPV-QGZVFWFLSA-N 1 0 388.515 4.208 20 30 GIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000052710609 822808112 /nfs/dbraw/zinc/80/81/12/822808112.db2.gz RVBQEZMYQDWCBY-RYUDHWBXSA-N 1 0 375.831 4.037 20 30 GIEDRO COc1cc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c2ccccc2n1 ZINC000174582262 822808167 /nfs/dbraw/zinc/80/81/67/822808167.db2.gz MREHEKGNHHTUQK-UHFFFAOYSA-N 1 0 391.471 4.224 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1C#N ZINC000053123564 822822803 /nfs/dbraw/zinc/82/28/03/822822803.db2.gz JMNKHHHOELHYJT-UHFFFAOYSA-N 1 0 384.524 4.361 20 30 GIEDRO C=C(C)[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000185842333 822826576 /nfs/dbraw/zinc/82/65/76/822826576.db2.gz DJQOXJPHXNFHBP-HXUWFJFHSA-N 1 0 379.495 4.345 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185846654 822826952 /nfs/dbraw/zinc/82/69/52/822826952.db2.gz LQMUQYJOYAEMIF-FQEVSTJZSA-N 1 0 377.479 4.242 20 30 GIEDRO C=CCC[C@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083833 822850130 /nfs/dbraw/zinc/85/01/30/822850130.db2.gz ZKKIRHHXDUYHSU-XOBRGWDASA-N 1 0 379.472 4.402 20 30 GIEDRO C=CC[C@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000186181384 822858622 /nfs/dbraw/zinc/85/86/22/822858622.db2.gz DKXCKPFPOCSZER-QFIPXVFZSA-N 1 0 377.532 4.435 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1Cl ZINC000054429195 822884530 /nfs/dbraw/zinc/88/45/30/822884530.db2.gz ZDXXHTBZJLCUEQ-UHFFFAOYSA-N 1 0 381.863 4.035 20 30 GIEDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000569273429 822899577 /nfs/dbraw/zinc/89/95/77/822899577.db2.gz UEIVILOTIKNFPV-OAHLLOKOSA-N 1 0 390.597 4.494 20 30 GIEDRO N#Cc1ccc(F)c(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000055055643 822935580 /nfs/dbraw/zinc/93/55/80/822935580.db2.gz TUBUBHHTNBKLRA-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000186688819 822937677 /nfs/dbraw/zinc/93/76/77/822937677.db2.gz OCJIUDAVZXDYSQ-UHFFFAOYSA-N 1 0 384.417 4.033 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000186688249 822937686 /nfs/dbraw/zinc/93/76/86/822937686.db2.gz QHVKHGOYXBRFPO-UHFFFAOYSA-N 1 0 386.845 4.157 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000186709308 822941931 /nfs/dbraw/zinc/94/19/31/822941931.db2.gz VFCDRGVTSNNCKR-SWLSCSKDSA-N 1 0 393.350 4.477 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000186849235 822967270 /nfs/dbraw/zinc/96/72/70/822967270.db2.gz FXXCUXXNDCEQJG-NRFANRHFSA-N 1 0 387.449 4.458 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187162698 823019555 /nfs/dbraw/zinc/01/95/55/823019555.db2.gz DSYFYDSEJWAXIV-AUSIDOKSSA-N 1 0 387.527 4.101 20 30 GIEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000570280754 823022071 /nfs/dbraw/zinc/02/20/71/823022071.db2.gz KZOOQNJKHYXHPQ-UHFFFAOYSA-N 1 0 387.325 4.459 20 30 GIEDRO N#CCSc1cccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000175703421 823023679 /nfs/dbraw/zinc/02/36/79/823023679.db2.gz FZSQEJRTTKOORF-UHFFFAOYSA-N 1 0 397.569 4.146 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000177907697 823544806 /nfs/dbraw/zinc/54/48/06/823544806.db2.gz QINWVWTVBKMLDL-DEOSSOPVSA-N 1 0 380.532 4.228 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460936311 823546235 /nfs/dbraw/zinc/54/62/35/823546235.db2.gz XZEMRMIHVBAIFE-SFHVURJKSA-N 1 0 385.581 4.346 20 30 GIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1cccnc1 ZINC000411408152 823571010 /nfs/dbraw/zinc/57/10/10/823571010.db2.gz LVRLKUHAMSHYKV-MRXNPFEDSA-N 1 0 396.560 4.379 20 30 GIEDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411427737 823573009 /nfs/dbraw/zinc/57/30/09/823573009.db2.gz UKGAQJKUVJNFGM-CABCVRRESA-N 1 0 382.533 4.161 20 30 GIEDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411506398 823582189 /nfs/dbraw/zinc/58/21/89/823582189.db2.gz PSHLQZCPPSOBII-HUUCEWRRSA-N 1 0 396.560 4.381 20 30 GIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411560732 823588212 /nfs/dbraw/zinc/58/82/12/823588212.db2.gz PPOSOTKXDSLJIG-DOTOQJQBSA-N 1 0 377.579 4.091 20 30 GIEDRO C[C@H](CCC#N)[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000411607293 823590466 /nfs/dbraw/zinc/59/04/66/823590466.db2.gz CRVSQJICNVMOAU-ZBFHGGJFSA-N 1 0 381.314 4.131 20 30 GIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190620981 823592553 /nfs/dbraw/zinc/59/25/53/823592553.db2.gz XHCOEWPUQMADLU-MOPGFXCFSA-N 1 0 399.441 4.001 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000461262609 823607812 /nfs/dbraw/zinc/60/78/12/823607812.db2.gz KQEQJEYLVKOJQC-JOCHJYFZSA-N 1 0 391.515 4.084 20 30 GIEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412134371 823629024 /nfs/dbraw/zinc/62/90/24/823629024.db2.gz SZTCCOHXWUYLEU-LZQXYRQZSA-N 1 0 387.527 4.173 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412134366 823629030 /nfs/dbraw/zinc/62/90/30/823629030.db2.gz SZTCCOHXWUYLEU-IBURTVSXSA-N 1 0 387.527 4.173 20 30 GIEDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000461411248 823631174 /nfs/dbraw/zinc/63/11/74/823631174.db2.gz MCHOSTWTOYURDB-UHFFFAOYSA-N 1 0 399.564 4.191 20 30 GIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000062473419 823636903 /nfs/dbraw/zinc/63/69/03/823636903.db2.gz DLXGDGRVWMUJJR-QHCPKHFHSA-N 1 0 377.532 4.264 20 30 GIEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461466409 823643165 /nfs/dbraw/zinc/64/31/65/823643165.db2.gz IVXXKHCZNDZMJO-LJQANCHMSA-N 1 0 381.907 4.244 20 30 GIEDRO N#CCCn1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)c(-c2ccccc2)n1 ZINC000191122313 823651407 /nfs/dbraw/zinc/65/14/07/823651407.db2.gz IRQSKFJUBABQQB-FQEVSTJZSA-N 1 0 376.435 4.216 20 30 GIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCCC2)O1 ZINC000191225551 823660842 /nfs/dbraw/zinc/66/08/42/823660842.db2.gz BEOGVGDFHOVACV-UHFFFAOYSA-N 1 0 378.520 4.387 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063299767 823660948 /nfs/dbraw/zinc/66/09/48/823660948.db2.gz AWPYZTNOPRKSPB-LJQANCHMSA-N 1 0 390.405 4.005 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000063401838 823668322 /nfs/dbraw/zinc/66/83/22/823668322.db2.gz ABRPOYRDBGWAMQ-NRFANRHFSA-N 1 0 396.560 4.400 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000063401467 823668418 /nfs/dbraw/zinc/66/84/18/823668418.db2.gz BAPLXUPEEVXIDR-UHFFFAOYSA-N 1 0 390.531 4.296 20 30 GIEDRO Cn1cc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1C#N ZINC000191418120 823682953 /nfs/dbraw/zinc/68/29/53/823682953.db2.gz CUBBUELGMABGDW-UHFFFAOYSA-N 1 0 378.303 4.385 20 30 GIEDRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739954 823690049 /nfs/dbraw/zinc/69/00/49/823690049.db2.gz ZFFHOKVUGPORLY-XLIONFOSSA-N 1 0 381.545 4.313 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000574341047 823704933 /nfs/dbraw/zinc/70/49/33/823704933.db2.gz IUVQIWNNUQYOLB-CVEARBPZSA-N 1 0 378.501 4.099 20 30 GIEDRO C[NH+](C)CCN(Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000574366828 823710313 /nfs/dbraw/zinc/71/03/13/823710313.db2.gz WSPPKADXCFGBIA-UHFFFAOYSA-N 1 0 394.519 4.385 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461910201 823750497 /nfs/dbraw/zinc/75/04/97/823750497.db2.gz URSVUQVOWUXAPD-RTBURBONSA-N 1 0 375.516 4.210 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251225 823780436 /nfs/dbraw/zinc/78/04/36/823780436.db2.gz CQBHMNPQUGAXFK-UHFFFAOYSA-N 1 0 383.561 4.358 20 30 GIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2c(c1)OCCO2 ZINC000191820733 823782186 /nfs/dbraw/zinc/78/21/86/823782186.db2.gz HNNNGVOYKFDAHP-QGZVFWFLSA-N 1 0 387.277 4.333 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC000164371316 823798894 /nfs/dbraw/zinc/79/88/94/823798894.db2.gz PJZDESDEVSWYSG-UHFFFAOYSA-N 1 0 398.478 4.119 20 30 GIEDRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(C#N)c1 ZINC000462037278 823806475 /nfs/dbraw/zinc/80/64/75/823806475.db2.gz RLPMTUJPFQAODC-LJQANCHMSA-N 1 0 375.516 4.210 20 30 GIEDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC000574717450 823807955 /nfs/dbraw/zinc/80/79/55/823807955.db2.gz LJMRABRILOHBRP-HXUWFJFHSA-N 1 0 385.458 4.068 20 30 GIEDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000462077907 823821088 /nfs/dbraw/zinc/82/10/88/823821088.db2.gz ZEXIBYXSXKKHDR-NRFANRHFSA-N 1 0 393.531 4.479 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000574799013 823830422 /nfs/dbraw/zinc/83/04/22/823830422.db2.gz ISBUZDWQHWKXNK-HRAATJIYSA-N 1 0 396.332 4.424 20 30 GIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000413835333 823848111 /nfs/dbraw/zinc/84/81/11/823848111.db2.gz NJGSPKRLBIJATD-QFIPXVFZSA-N 1 0 392.547 4.127 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175787 823854574 /nfs/dbraw/zinc/85/45/74/823854574.db2.gz AIYOHTHWIFTSCM-CLOONOSVSA-N 1 0 395.506 4.476 20 30 GIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000126405329 823858919 /nfs/dbraw/zinc/85/89/19/823858919.db2.gz KCXITQSYGXJIIR-RUZDIDTESA-N 1 0 396.494 4.175 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1F ZINC000192105857 823862110 /nfs/dbraw/zinc/86/21/10/823862110.db2.gz CFDOODGNPITOIB-UHFFFAOYSA-N 1 0 389.833 4.341 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462192408 823863125 /nfs/dbraw/zinc/86/31/25/823863125.db2.gz BUBLMYHAYNTQLW-SIKLNZKXSA-N 1 0 375.516 4.032 20 30 GIEDRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000192131370 823871741 /nfs/dbraw/zinc/87/17/41/823871741.db2.gz HPYVTAKLZUDQEI-MOPGFXCFSA-N 1 0 381.344 4.455 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064742234 823877947 /nfs/dbraw/zinc/87/79/47/823877947.db2.gz WMQUWRLLDPGEDS-UHFFFAOYSA-N 1 0 392.503 4.265 20 30 GIEDRO N#Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1C(F)(F)F ZINC000166916272 823883828 /nfs/dbraw/zinc/88/38/28/823883828.db2.gz BMRKIHLTTCFMEF-UHFFFAOYSA-N 1 0 389.421 4.146 20 30 GIEDRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462239668 823890971 /nfs/dbraw/zinc/89/09/71/823890971.db2.gz ZQQCFDPUPJXPHC-IEXUWNMDSA-N 1 0 387.527 4.175 20 30 GIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21 ZINC000167843675 823896992 /nfs/dbraw/zinc/89/69/92/823896992.db2.gz ANOAURRKPIQHQJ-GCJKJVERSA-N 1 0 390.487 4.299 20 30 GIEDRO C=CCc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc(OC)c1OC ZINC000168258420 823901484 /nfs/dbraw/zinc/90/14/84/823901484.db2.gz WZEZCXLCGKLTCM-UHFFFAOYSA-N 1 0 381.394 4.463 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192228813 823909070 /nfs/dbraw/zinc/90/90/70/823909070.db2.gz SSWMKKVGTGBSLQ-UHFFFAOYSA-N 1 0 377.488 4.198 20 30 GIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4)s3)C2=O)cc1 ZINC000192244943 823914805 /nfs/dbraw/zinc/91/48/05/823914805.db2.gz GEHRSCVXBNLYGA-NRFANRHFSA-N 1 0 387.508 4.177 20 30 GIEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414161058 823921161 /nfs/dbraw/zinc/92/11/61/823921161.db2.gz FAVNTPUZYDVPHM-IBGZPJMESA-N 1 0 390.936 4.362 20 30 GIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCCc3c(O)cccc32)sc2c1CCCC2 ZINC000192346377 823954677 /nfs/dbraw/zinc/95/46/77/823954677.db2.gz PSUKOWBMBNLWBB-GOSISDBHSA-N 1 0 395.528 4.200 20 30 GIEDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1 ZINC000462407637 823962597 /nfs/dbraw/zinc/96/25/97/823962597.db2.gz LMXOVLNOFRTNRT-XMSQKQJNSA-N 1 0 375.516 4.079 20 30 GIEDRO C=CCC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000575750917 823985989 /nfs/dbraw/zinc/98/59/89/823985989.db2.gz RKBGECNOFOVYGA-UHFFFAOYSA-N 1 0 398.551 4.367 20 30 GIEDRO CN(C(=O)c1cccc(SCC#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126947858 823986984 /nfs/dbraw/zinc/98/69/84/823986984.db2.gz DWOZZGIDNNHERV-UHFFFAOYSA-N 1 0 395.528 4.053 20 30 GIEDRO [NH2+]=C(NCc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000170907561 824003938 /nfs/dbraw/zinc/00/39/38/824003938.db2.gz ZMVNHYXIJBGQNM-UHFFFAOYSA-N 1 0 375.297 4.113 20 30 GIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000127083025 824013718 /nfs/dbraw/zinc/01/37/18/824013718.db2.gz QRDQKISXUMUQAC-UZUQRXQVSA-N 1 0 385.467 4.195 20 30 GIEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000414902671 824048077 /nfs/dbraw/zinc/04/80/77/824048077.db2.gz KMMDNWPAQMGGFD-HXUWFJFHSA-N 1 0 396.922 4.459 20 30 GIEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414911809 824049171 /nfs/dbraw/zinc/04/91/71/824049171.db2.gz TWEIWAMEGHTHOI-GHTZIAJQSA-N 1 0 382.895 4.198 20 30 GIEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915681 824049466 /nfs/dbraw/zinc/04/94/66/824049466.db2.gz ZKJNZYOAYBOTMS-IEBWSBKVSA-N 1 0 384.911 4.490 20 30 GIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000576025409 824052323 /nfs/dbraw/zinc/05/23/23/824052323.db2.gz DLDMQUVIPTYKLS-UHFFFAOYSA-N 1 0 390.446 4.294 20 30 GIEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000414958004 824053749 /nfs/dbraw/zinc/05/37/49/824053749.db2.gz CNKMNBZDRDUWDB-UHFFFAOYSA-N 1 0 398.894 4.467 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414966619 824055157 /nfs/dbraw/zinc/05/51/57/824055157.db2.gz OUEWQBPCDLJWRL-HUUCEWRRSA-N 1 0 384.867 4.253 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414966620 824055342 /nfs/dbraw/zinc/05/53/42/824055342.db2.gz OUEWQBPCDLJWRL-LSDHHAIUSA-N 1 0 384.867 4.253 20 30 GIEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969671 824055715 /nfs/dbraw/zinc/05/57/15/824055715.db2.gz SWDXZDLBMCALON-INIZCTEOSA-N 1 0 384.867 4.220 20 30 GIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)cnc2Cl)cc1 ZINC001164389449 718813781 /nfs/dbraw/zinc/81/37/81/718813781.db2.gz WIZGEUQOQKFDOT-UHFFFAOYSA-N 1 0 394.828 4.086 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C#N)cc2Cl)CC3)cs1 ZINC001164691186 719804469 /nfs/dbraw/zinc/80/44/69/719804469.db2.gz FEGBBKKYXXEUHR-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO COc1cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ncc1C#N ZINC001164762228 721042006 /nfs/dbraw/zinc/04/20/06/721042006.db2.gz GXLYUPDMSYKPPE-UHFFFAOYSA-N 1 0 390.531 4.153 20 30 GIEDRO N#Cc1csc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000187379582 823052861 /nfs/dbraw/zinc/05/28/61/823052861.db2.gz CPMQJHANYGICRN-UHFFFAOYSA-N 1 0 393.434 4.033 20 30 GIEDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000175865420 823058938 /nfs/dbraw/zinc/05/89/38/823058938.db2.gz KXYHGFUYPYNVLQ-ZKOMGTKCSA-N 1 0 396.556 4.307 20 30 GIEDRO C[C@H]1Cc2cc(-c3ccc(C[NH2+]Cc4cnc5ccc(C#N)cn45)cc3)ccc2O1 ZINC000120784353 823063501 /nfs/dbraw/zinc/06/35/01/823063501.db2.gz FQPWPQUWPGQAQG-KRWDZBQOSA-N 1 0 394.478 4.486 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120807621 823068191 /nfs/dbraw/zinc/06/81/91/823068191.db2.gz SRCFDTUDDQJQMS-RXVVDRJESA-N 1 0 394.519 4.021 20 30 GIEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000458843488 823096433 /nfs/dbraw/zinc/09/64/33/823096433.db2.gz PPAANHOJZAJJDG-FGZHOGPDSA-N 1 0 394.519 4.032 20 30 GIEDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000121173298 823131963 /nfs/dbraw/zinc/13/19/63/823131963.db2.gz OLFAKLIFQLQVIC-UHFFFAOYSA-N 1 0 399.494 4.129 20 30 GIEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000176137242 823132835 /nfs/dbraw/zinc/13/28/35/823132835.db2.gz RDPLGAKRGIIIQH-RXVVDRJESA-N 1 0 394.515 4.043 20 30 GIEDRO N#Cc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000571309674 823163602 /nfs/dbraw/zinc/16/36/02/823163602.db2.gz BMNUYMOPQGXLHL-ZWKOTPCHSA-N 1 0 393.231 4.219 20 30 GIEDRO N#Cc1csc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000571327452 823165892 /nfs/dbraw/zinc/16/58/92/823165892.db2.gz AHOWNNDAHSLPKM-UHFFFAOYSA-N 1 0 396.434 4.088 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000121361785 823170623 /nfs/dbraw/zinc/17/06/23/823170623.db2.gz WCSAXMGJRHNPJQ-UHFFFAOYSA-N 1 0 391.515 4.084 20 30 GIEDRO CCN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000121395579 823177020 /nfs/dbraw/zinc/17/70/20/823177020.db2.gz AMXWHXZZHDQNJJ-UHFFFAOYSA-N 1 0 394.906 4.092 20 30 GIEDRO C#CCOc1ccccc1NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000188121593 823189723 /nfs/dbraw/zinc/18/97/23/823189723.db2.gz BIIKPVXSCHDHFZ-OAQYLSRUSA-N 1 0 391.515 4.075 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188200281 823202229 /nfs/dbraw/zinc/20/22/29/823202229.db2.gz OEPMLZIWTDMITH-IBGZPJMESA-N 1 0 387.527 4.138 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188201187 823202488 /nfs/dbraw/zinc/20/24/88/823202488.db2.gz KZSZPXQASMSVTJ-LJQANCHMSA-N 1 0 387.527 4.281 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(Br)c1 ZINC000459529067 823212500 /nfs/dbraw/zinc/21/25/00/823212500.db2.gz RCLQBOHPAHPCHH-UHFFFAOYSA-N 1 0 397.316 4.385 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459566661 823221530 /nfs/dbraw/zinc/22/15/30/823221530.db2.gz HTGUAWXGLFRFAV-GMAHTHKFSA-N 1 0 376.500 4.110 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1C#N ZINC000459622342 823231245 /nfs/dbraw/zinc/23/12/45/823231245.db2.gz XTYCCJSLTUNZKL-NYHFZMIOSA-N 1 0 382.508 4.115 20 30 GIEDRO N#CCCn1cc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2ccncc2)n1 ZINC000459672852 823247716 /nfs/dbraw/zinc/24/77/16/823247716.db2.gz ZYLNNGOBRIQASQ-VQIMIIECSA-N 1 0 395.869 4.297 20 30 GIEDRO CC(C)(CC#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000459698684 823252740 /nfs/dbraw/zinc/25/27/40/823252740.db2.gz QYZSKJOWCRTCOZ-UHFFFAOYSA-N 1 0 389.459 4.477 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121790637 823252052 /nfs/dbraw/zinc/25/20/52/823252052.db2.gz DNDBUAOTTSQEHG-IBGZPJMESA-N 1 0 392.503 4.072 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057168931 823257905 /nfs/dbraw/zinc/25/79/05/823257905.db2.gz NNVKTCDPUNEPTO-UHFFFAOYSA-N 1 0 375.516 4.209 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc(C)c1 ZINC000121864106 823265670 /nfs/dbraw/zinc/26/56/70/823265670.db2.gz IERAWIMHNKUXPT-UHFFFAOYSA-O 1 0 393.985 4.217 20 30 GIEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679707 823266033 /nfs/dbraw/zinc/26/60/33/823266033.db2.gz WXXFTSYZUYIWCF-MBSDFSHPSA-N 1 0 379.504 4.010 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000176715745 823275665 /nfs/dbraw/zinc/27/56/65/823275665.db2.gz CGDCDJZXUSAFBA-ABAIWWIYSA-N 1 0 379.407 4.095 20 30 GIEDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000057286442 823276335 /nfs/dbraw/zinc/27/63/35/823276335.db2.gz OQPHSHVPACYFCN-UHFFFAOYSA-N 1 0 390.531 4.322 20 30 GIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1)C(C)C ZINC000121983660 823288507 /nfs/dbraw/zinc/28/85/07/823288507.db2.gz MMBYBLPORLMUAU-UHFFFAOYSA-N 1 0 376.504 4.315 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000409720000 823290303 /nfs/dbraw/zinc/29/03/03/823290303.db2.gz LISPNAWMDGELGD-HNNXBMFYSA-N 1 0 380.458 4.453 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000572165158 823293058 /nfs/dbraw/zinc/29/30/58/823293058.db2.gz MVRKVQASGNLOSK-UHFFFAOYSA-N 1 0 377.703 4.346 20 30 GIEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccccc2F)cc1 ZINC000015245891 818302416 /nfs/dbraw/zinc/30/24/16/818302416.db2.gz IRFWFURFFIARRI-UHFFFAOYSA-O 1 0 394.495 4.230 20 30 GIEDRO CCOc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccccc2)cc1 ZINC000015245145 818302433 /nfs/dbraw/zinc/30/24/33/818302433.db2.gz XZXCWHATPKXLMM-UHFFFAOYSA-O 1 0 377.489 4.424 20 30 GIEDRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000016500844 818449812 /nfs/dbraw/zinc/44/98/12/818449812.db2.gz PKVHKPIYDXTCEY-UHFFFAOYSA-N 1 0 382.895 4.260 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000017517639 818517861 /nfs/dbraw/zinc/51/78/61/818517861.db2.gz WYYJQPKLFOASMY-UHFFFAOYSA-N 1 0 384.936 4.116 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c1C#N ZINC000019542425 818594470 /nfs/dbraw/zinc/59/44/70/818594470.db2.gz NIHIEJRSQYLEQM-GOSISDBHSA-N 1 0 390.487 4.249 20 30 GIEDRO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000572508830 823351591 /nfs/dbraw/zinc/35/15/91/823351591.db2.gz NTWPCSAKOMMSGX-SIKLNZKXSA-N 1 0 393.531 4.104 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)ccc1OC ZINC000057961254 823350779 /nfs/dbraw/zinc/35/07/79/823350779.db2.gz TUQWRCPPBGRHPB-UHFFFAOYSA-N 1 0 377.488 4.185 20 30 GIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000177045729 823358856 /nfs/dbraw/zinc/35/88/56/823358856.db2.gz LIQKICODVGEVAV-OAQYLSRUSA-N 1 0 387.487 4.094 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000572583666 823365453 /nfs/dbraw/zinc/36/54/53/823365453.db2.gz BQXFHVMXRRWDTK-SFHVURJKSA-N 1 0 376.460 4.017 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686606 818843872 /nfs/dbraw/zinc/84/38/72/818843872.db2.gz JIDYYAISRWGMLF-UHFFFAOYSA-O 1 0 377.480 4.098 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000022687853 818844436 /nfs/dbraw/zinc/84/44/36/818844436.db2.gz SFCOLUJLZHERCA-UHFFFAOYSA-O 1 0 391.560 4.056 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)cc1 ZINC000022730082 818851993 /nfs/dbraw/zinc/85/19/93/818851993.db2.gz KFAMDFHHNMMSFG-UHFFFAOYSA-O 1 0 377.489 4.424 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCCc1ccccc1 ZINC000022735104 818853006 /nfs/dbraw/zinc/85/30/06/818853006.db2.gz MLMYBEAXFKEHHQ-UHFFFAOYSA-O 1 0 389.544 4.308 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000022850426 818867452 /nfs/dbraw/zinc/86/74/52/818867452.db2.gz IVQZHMWPVDBNPG-UHFFFAOYSA-N 1 0 394.569 4.451 20 30 GIEDRO CC(C)c1ccc(C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000024101433 819024024 /nfs/dbraw/zinc/02/40/24/819024024.db2.gz NFGSKGACWPZMDT-HSZRJFAPSA-N 1 0 378.516 4.280 20 30 GIEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000572890855 823414876 /nfs/dbraw/zinc/41/48/76/823414876.db2.gz OHLMEABAGFZZPS-GOSISDBHSA-N 1 0 391.943 4.175 20 30 GIEDRO Cc1ccc(-c2ncc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000122839514 823421265 /nfs/dbraw/zinc/42/12/65/823421265.db2.gz PKQHJDQFCXSXBA-UHFFFAOYSA-N 1 0 392.528 4.291 20 30 GIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000122863639 823425489 /nfs/dbraw/zinc/42/54/89/823425489.db2.gz VFYQOUWLEIACOP-HXUWFJFHSA-N 1 0 377.488 4.220 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cccc(C#N)c1 ZINC000572952146 823425925 /nfs/dbraw/zinc/42/59/25/823425925.db2.gz HGWKOJVDHCAVGN-RDTXWAMCSA-N 1 0 378.426 4.366 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cccc(C#N)c1 ZINC000572952144 823425988 /nfs/dbraw/zinc/42/59/88/823425988.db2.gz HGWKOJVDHCAVGN-KDOFPFPSSA-N 1 0 378.426 4.366 20 30 GIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460544746 823426378 /nfs/dbraw/zinc/42/63/78/823426378.db2.gz PIDHVWXCXNDNQS-UNMCSNQZSA-N 1 0 393.579 4.093 20 30 GIEDRO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000024663870 819861163 /nfs/dbraw/zinc/86/11/63/819861163.db2.gz XABNURNQYFABGE-UHFFFAOYSA-N 1 0 386.499 4.005 20 30 GIEDRO N#Cc1csc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 ZINC000573023460 823434974 /nfs/dbraw/zinc/43/49/74/823434974.db2.gz QCFSVTUNYWHHHE-UHFFFAOYSA-N 1 0 385.496 4.216 20 30 GIEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460568261 823436830 /nfs/dbraw/zinc/43/68/30/823436830.db2.gz UJTNLIAFCANUGX-MJGOQNOKSA-N 1 0 391.519 4.330 20 30 GIEDRO C=CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000189539897 823440116 /nfs/dbraw/zinc/44/01/16/823440116.db2.gz OBHLDCPOCOQBSD-NZQKXSOJSA-N 1 0 392.543 4.363 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000025288199 819955519 /nfs/dbraw/zinc/95/55/19/819955519.db2.gz VENQMZCTDGEFLR-BVAGGSTKSA-N 1 0 398.506 4.140 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000025301328 819958220 /nfs/dbraw/zinc/95/82/20/819958220.db2.gz NGNAENPJOFQXAP-KNQAVFIVSA-N 1 0 397.515 4.009 20 30 GIEDRO N#Cc1ccc(F)c(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000025438754 819980107 /nfs/dbraw/zinc/98/01/07/819980107.db2.gz BKSNRVHORPOLEH-UHFFFAOYSA-N 1 0 391.412 4.424 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F ZINC000177367481 823446741 /nfs/dbraw/zinc/44/67/41/823446741.db2.gz NBFRIOVCPFZESK-INIZCTEOSA-N 1 0 392.387 4.263 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F ZINC000177367498 823446764 /nfs/dbraw/zinc/44/67/64/823446764.db2.gz NBFRIOVCPFZESK-MRXNPFEDSA-N 1 0 392.387 4.263 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000026227638 820071911 /nfs/dbraw/zinc/07/19/11/820071911.db2.gz ZFFKAVNGLOLBMY-UHFFFAOYSA-N 1 0 390.512 4.376 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000573170848 823459385 /nfs/dbraw/zinc/45/93/85/823459385.db2.gz ODDQDBKLQBJREW-PXNSSMCTSA-N 1 0 382.305 4.177 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)c1 ZINC000027163064 820203542 /nfs/dbraw/zinc/20/35/42/820203542.db2.gz RJZPUWHRRUUJQH-UHFFFAOYSA-O 1 0 399.442 4.312 20 30 GIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1OC ZINC000123098108 823462145 /nfs/dbraw/zinc/46/21/45/823462145.db2.gz BQNKCCBRWIWHKP-UHFFFAOYSA-N 1 0 394.515 4.045 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CC)cc1 ZINC000027324838 820224282 /nfs/dbraw/zinc/22/42/82/820224282.db2.gz NZZYELPGSFBJFD-UHFFFAOYSA-O 1 0 385.553 4.264 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000027318440 820224308 /nfs/dbraw/zinc/22/43/08/820224308.db2.gz CWNBLZVLKDQJMS-UHFFFAOYSA-O 1 0 385.553 4.219 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 ZINC000027327709 820224549 /nfs/dbraw/zinc/22/45/49/820224549.db2.gz PORBPXJEIXVYJS-UHFFFAOYSA-O 1 0 399.580 4.092 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1CC ZINC000027325145 820224803 /nfs/dbraw/zinc/22/48/03/820224803.db2.gz CLNULOYTTKOTAO-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)s1)C(=S)NCCCSC ZINC000027479458 820250158 /nfs/dbraw/zinc/25/01/58/820250158.db2.gz ZWEIFENKKAMLNE-UHFFFAOYSA-O 1 0 393.623 4.188 20 30 GIEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000027487567 820252182 /nfs/dbraw/zinc/25/21/82/820252182.db2.gz VZPGAYIXMAZZOO-XLIONFOSSA-O 1 0 396.580 4.147 20 30 GIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058880444 823465763 /nfs/dbraw/zinc/46/57/63/823465763.db2.gz CJTWBZIEEJPZII-QHCPKHFHSA-N 1 0 375.516 4.207 20 30 GIEDRO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349548 823470137 /nfs/dbraw/zinc/47/01/37/823470137.db2.gz QFOOSHQTBKEGKO-HZPDHXFCSA-N 1 0 395.366 4.095 20 30 GIEDRO C=CCN1CC[C@@H]([N@@H+](CC)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349549 823470147 /nfs/dbraw/zinc/47/01/47/823470147.db2.gz QFOOSHQTBKEGKO-JKSUJKDBSA-N 1 0 395.366 4.095 20 30 GIEDRO CCc1cc[n+](CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 ZINC000029378926 820447045 /nfs/dbraw/zinc/44/70/45/820447045.db2.gz LZOUIARNMOBYIE-NRFANRHFSA-N 1 0 375.517 4.417 20 30 GIEDRO CCc1cc[n+](CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 ZINC000029378922 820447119 /nfs/dbraw/zinc/44/71/19/820447119.db2.gz LZOUIARNMOBYIE-OAQYLSRUSA-N 1 0 375.517 4.417 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000030454927 820618613 /nfs/dbraw/zinc/61/86/13/820618613.db2.gz YGLCJOWTQSFGCY-HZPDHXFCSA-N 1 0 381.476 4.032 20 30 GIEDRO C[NH+](C)CCCN(C(=O)c1cc(C#N)c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000177811380 823528782 /nfs/dbraw/zinc/52/87/82/823528782.db2.gz SWMPOEZFBPERLA-UHFFFAOYSA-N 1 0 386.499 4.070 20 30 GIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177821301 823530733 /nfs/dbraw/zinc/53/07/33/823530733.db2.gz CIHBXSRUOOJKJS-INIZCTEOSA-N 1 0 394.544 4.426 20 30 GIEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042740993 821329461 /nfs/dbraw/zinc/32/94/61/821329461.db2.gz QCUMYXPEIXHEIC-IBGZPJMESA-N 1 0 390.531 4.489 20 30 GIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000180637628 821377859 /nfs/dbraw/zinc/37/78/59/821377859.db2.gz XLVGMVBJQSNHQC-PKTZIBPZSA-N 1 0 381.495 4.264 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CSCCc3ccccc32)ccc1OC ZINC000180817338 821477953 /nfs/dbraw/zinc/47/79/53/821477953.db2.gz OPKQAJRMWUAUJC-QUCCMNQESA-N 1 0 382.529 4.496 20 30 GIEDRO C=C(C)COc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180837154 821487928 /nfs/dbraw/zinc/48/79/28/821487928.db2.gz IBRFYPFIOSIXQX-UHFFFAOYSA-N 1 0 380.492 4.075 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)CC1 ZINC000180942876 821549682 /nfs/dbraw/zinc/54/96/82/821549682.db2.gz BTERAEKNKJCZNE-UHFFFAOYSA-N 1 0 394.302 4.337 20 30 GIEDRO COc1ccc(C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000181154179 821667115 /nfs/dbraw/zinc/66/71/15/821667115.db2.gz MNFVQYUNJAHUDG-WZONZLPQSA-N 1 0 382.504 4.005 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(-n2cccn2)c1 ZINC000181229746 821708070 /nfs/dbraw/zinc/70/80/70/821708070.db2.gz AIOGIVOOIYCKBT-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000181283409 821734420 /nfs/dbraw/zinc/73/44/20/821734420.db2.gz YYOZKMBIGGPNKG-YRUKQIKQSA-N 1 0 391.515 4.226 20 30 GIEDRO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181501771 821856030 /nfs/dbraw/zinc/85/60/30/821856030.db2.gz PEZYIPPKUMTRLN-GOSISDBHSA-N 1 0 393.531 4.199 20 30 GIEDRO COc1ccccc1COC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000181551787 821878161 /nfs/dbraw/zinc/87/81/61/821878161.db2.gz WXPZVURFYXBXFB-GOSISDBHSA-N 1 0 380.488 4.167 20 30 GIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181554281 821879168 /nfs/dbraw/zinc/87/91/68/821879168.db2.gz GVWKKBKWODDUBS-JOCHJYFZSA-N 1 0 391.515 4.035 20 30 GIEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573064 821884973 /nfs/dbraw/zinc/88/49/73/821884973.db2.gz DJAVWYLOVRIEDP-QFBILLFUSA-N 1 0 381.476 4.056 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181653611 821924790 /nfs/dbraw/zinc/92/47/90/821924790.db2.gz CUSSDLFWVAMTOE-QZTJIDSGSA-N 1 0 376.504 4.226 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000181786968 821992138 /nfs/dbraw/zinc/99/21/38/821992138.db2.gz FOIOCKLQRAHHHU-UHFFFAOYSA-N 1 0 375.516 4.101 20 30 GIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809689 822001811 /nfs/dbraw/zinc/00/18/11/822001811.db2.gz FCMBAKXIUBSRMY-HRAATJIYSA-N 1 0 383.467 4.210 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181823886 822007097 /nfs/dbraw/zinc/00/70/97/822007097.db2.gz TYZDXNBUTOVQRO-ILZDJORESA-N 1 0 387.524 4.323 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000181826012 822008344 /nfs/dbraw/zinc/00/83/44/822008344.db2.gz XZBRYXQYLPEGPA-UHFFFAOYSA-N 1 0 377.488 4.340 20 30 GIEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000181887219 822027186 /nfs/dbraw/zinc/02/71/86/822027186.db2.gz AWMMRPFMQDMEQT-IBGZPJMESA-N 1 0 390.487 4.300 20 30 GIEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000181904729 822032869 /nfs/dbraw/zinc/03/28/69/822032869.db2.gz HGQRKNGFELTSNT-IBGZPJMESA-N 1 0 390.487 4.300 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955916 822045403 /nfs/dbraw/zinc/04/54/03/822045403.db2.gz MKIOXXNJODGNCG-APWZRJJASA-N 1 0 379.460 4.129 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000182058035 822077023 /nfs/dbraw/zinc/07/70/23/822077023.db2.gz IJVOFIQRHRUWQQ-GOSISDBHSA-N 1 0 380.488 4.135 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1 ZINC000182133489 822110405 /nfs/dbraw/zinc/11/04/05/822110405.db2.gz ZNDWLLRIPADFOG-DEOSSOPVSA-N 1 0 391.515 4.193 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557863 822301395 /nfs/dbraw/zinc/30/13/95/822301395.db2.gz BZIFYCSBOTXIEI-KRWDZBQOSA-N 1 0 398.466 4.100 20 30 GIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563062 822304044 /nfs/dbraw/zinc/30/40/44/822304044.db2.gz CSWBTNCNFQQBAY-KRWDZBQOSA-N 1 0 398.466 4.100 20 30 GIEDRO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453436140 822362618 /nfs/dbraw/zinc/36/26/18/822362618.db2.gz HMJFWTCHHSQEIA-SFHVURJKSA-N 1 0 389.588 4.043 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000045126104 822364400 /nfs/dbraw/zinc/36/44/00/822364400.db2.gz VECMQAUCSJPVAA-UHFFFAOYSA-N 1 0 378.520 4.002 20 30 GIEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000453599244 822391023 /nfs/dbraw/zinc/39/10/23/822391023.db2.gz AEXPBXIBPRHZPZ-QHCPKHFHSA-N 1 0 394.519 4.017 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680097 822402149 /nfs/dbraw/zinc/40/21/49/822402149.db2.gz FGABRTARFBABTP-CVEARBPZSA-N 1 0 387.505 4.219 20 30 GIEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000046041183 822437800 /nfs/dbraw/zinc/43/78/00/822437800.db2.gz LHZPEIOKNQKFDS-OAQYLSRUSA-N 1 0 398.938 4.436 20 30 GIEDRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000046319943 822461269 /nfs/dbraw/zinc/46/12/69/822461269.db2.gz IZENKVZBFBUMMV-UHFFFAOYSA-N 1 0 379.529 4.312 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000179591884 822508652 /nfs/dbraw/zinc/50/86/52/822508652.db2.gz GZXVHQIEGNQRBH-LLVKDONJSA-N 1 0 379.794 4.102 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179692131 822528484 /nfs/dbraw/zinc/52/84/84/822528484.db2.gz WFLHCLLJFHQHQT-OAHLLOKOSA-N 1 0 383.492 4.295 20 30 GIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179716014 822533648 /nfs/dbraw/zinc/53/36/48/822533648.db2.gz CEQQKFCAJQWMGO-GDBMZVCRSA-N 1 0 379.451 4.060 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179776327 822550647 /nfs/dbraw/zinc/55/06/47/822550647.db2.gz PULOJLHCFCDUQH-KRWDZBQOSA-N 1 0 382.895 4.327 20 30 GIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000047187822 822552541 /nfs/dbraw/zinc/55/25/41/822552541.db2.gz DOODOOQMNBCVDT-IBGZPJMESA-N 1 0 375.516 4.467 20 30 GIEDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1 ZINC000047273443 822560707 /nfs/dbraw/zinc/56/07/07/822560707.db2.gz SDESYEDYNDXERL-QGZVFWFLSA-N 1 0 398.532 4.351 20 30 GIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000184001113 822561408 /nfs/dbraw/zinc/56/14/08/822561408.db2.gz ALWMZONCZJZXED-QHAWAJNXSA-N 1 0 399.535 4.247 20 30 GIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961450 822563684 /nfs/dbraw/zinc/56/36/84/822563684.db2.gz ZOGHGQDZYJFUJC-XMSQKQJNSA-N 1 0 375.516 4.079 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)cc1Cl ZINC000179855153 822566804 /nfs/dbraw/zinc/56/68/04/822566804.db2.gz SIUGUPZOIYMGSO-UHFFFAOYSA-N 1 0 389.883 4.052 20 30 GIEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000179878795 822570263 /nfs/dbraw/zinc/57/02/63/822570263.db2.gz BWMMHXJKRRWZBT-HXUWFJFHSA-N 1 0 390.531 4.099 20 30 GIEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000184100675 822578116 /nfs/dbraw/zinc/57/81/16/822578116.db2.gz UGTBAVHNLDIGED-IBGZPJMESA-N 1 0 384.911 4.411 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969638 822587788 /nfs/dbraw/zinc/58/77/88/822587788.db2.gz POEPJSDBJKRRAY-IFXJQAMLSA-N 1 0 385.414 4.006 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609251 822596572 /nfs/dbraw/zinc/59/65/72/822596572.db2.gz REKCKXDCCBGXII-IRXDYDNUSA-N 1 0 395.503 4.279 20 30 GIEDRO C=CCC[C@H](NCc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000180050316 822604406 /nfs/dbraw/zinc/60/44/06/822604406.db2.gz YUVVVNWVBGDCPC-KRWDZBQOSA-N 1 0 398.308 4.222 20 30 GIEDRO C=CCC[C@@H](NCc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000180050334 822604458 /nfs/dbraw/zinc/60/44/58/822604458.db2.gz YUVVVNWVBGDCPC-QGZVFWFLSA-N 1 0 398.308 4.222 20 30 GIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000180113201 822617811 /nfs/dbraw/zinc/61/78/11/822617811.db2.gz XKHFPKZJXFNZGJ-RPWUZVMVSA-N 1 0 381.479 4.400 20 30 GIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000184349407 822620221 /nfs/dbraw/zinc/62/02/21/822620221.db2.gz YPYBTWCZESIWBO-ZDUSSCGKSA-N 1 0 394.475 4.419 20 30 GIEDRO Cn1cc(C[NH2+]CCc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180225172 822643057 /nfs/dbraw/zinc/64/30/57/822643057.db2.gz CRJVYXDABHFHNE-UHFFFAOYSA-N 1 0 395.304 4.054 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000180257788 822649616 /nfs/dbraw/zinc/64/96/16/822649616.db2.gz YSNBMQHZGXMELJ-UXHICEINSA-N 1 0 392.528 4.108 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530198 822651930 /nfs/dbraw/zinc/65/19/30/822651930.db2.gz LMPCYQHDOFPCRJ-QRWLVFNGSA-N 1 0 391.437 4.389 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000180281016 822654278 /nfs/dbraw/zinc/65/42/78/822654278.db2.gz FKTNAIVKXVVFNQ-OAHLLOKOSA-N 1 0 375.432 4.026 20 30 GIEDRO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000455705945 822708123 /nfs/dbraw/zinc/70/81/23/822708123.db2.gz PIAJGBIDWIRRMO-GOSISDBHSA-N 1 0 382.895 4.192 20 30 GIEDRO C=CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050059260 822716660 /nfs/dbraw/zinc/71/66/60/822716660.db2.gz IZJZSCVNFFGYSP-KRWDZBQOSA-N 1 0 385.533 4.347 20 30 GIEDRO Cc1sc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000184951301 822717497 /nfs/dbraw/zinc/71/74/97/822717497.db2.gz HBURVNUVGSJGNP-ZDUSSCGKSA-N 1 0 390.940 4.185 20 30 GIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000455784078 822726189 /nfs/dbraw/zinc/72/61/89/822726189.db2.gz BILYCVQBRONLPM-UHFFFAOYSA-N 1 0 384.524 4.218 20 30 GIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C(C)(C)C)cc1 ZINC000185025065 822726629 /nfs/dbraw/zinc/72/66/29/822726629.db2.gz AEXYMQCNPJGPQN-UHFFFAOYSA-N 1 0 380.492 4.441 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000185073172 822733074 /nfs/dbraw/zinc/73/30/74/822733074.db2.gz ZTMMCFKETQZONU-HNNXBMFYSA-N 1 0 388.562 4.415 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455876457 822741041 /nfs/dbraw/zinc/74/10/41/822741041.db2.gz OMOFGCJKJRKAOX-CVDCTZTESA-N 1 0 389.543 4.296 20 30 GIEDRO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133471 822747726 /nfs/dbraw/zinc/74/77/26/822747726.db2.gz ZTLBUDSODQTAST-XUZZJYLKSA-N 1 0 391.515 4.033 20 30 GIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(CC#N)c3)c2)CC1 ZINC000455923064 822750120 /nfs/dbraw/zinc/75/01/20/822750120.db2.gz SFNCTBBPMZPDAZ-UHFFFAOYSA-N 1 0 376.504 4.306 20 30 GIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 ZINC000455942245 822754383 /nfs/dbraw/zinc/75/43/83/822754383.db2.gz UWUCRLAEWKQBNQ-QHCPKHFHSA-N 1 0 386.499 4.428 20 30 GIEDRO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000455951853 822756991 /nfs/dbraw/zinc/75/69/91/822756991.db2.gz STFJKVSMFNDEEM-UHFFFAOYSA-N 1 0 384.483 4.256 20 30 GIEDRO COc1cccc(Oc2ccc(C[NH2+]Cc3ccc(OC)c(C#N)c3)cn2)c1 ZINC000174277401 822761742 /nfs/dbraw/zinc/76/17/42/822761742.db2.gz SKJOMZLCMBFGTD-UHFFFAOYSA-N 1 0 375.428 4.053 20 30 GIEDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C#N ZINC000174284050 822762709 /nfs/dbraw/zinc/76/27/09/822762709.db2.gz WGDXDJNRVGSMNF-UHFFFAOYSA-N 1 0 389.430 4.248 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456012795 822766358 /nfs/dbraw/zinc/76/63/58/822766358.db2.gz WDZGRQRFNHVMLB-FQEVSTJZSA-N 1 0 376.504 4.243 20 30 GIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000174333834 822773170 /nfs/dbraw/zinc/77/31/70/822773170.db2.gz JIIINSUTIYUKSW-UHFFFAOYSA-N 1 0 379.342 4.417 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000174386878 822782006 /nfs/dbraw/zinc/78/20/06/822782006.db2.gz AINGMWICBXJBKQ-QFIPXVFZSA-N 1 0 393.531 4.130 20 30 GIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(Br)c1OC ZINC000174430359 822789082 /nfs/dbraw/zinc/78/90/82/822789082.db2.gz YFEHJXJLFCHMER-LBPRGKRZSA-N 1 0 375.266 4.189 20 30 GIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456255604 822790641 /nfs/dbraw/zinc/79/06/41/822790641.db2.gz CIBUQKHFHKPOPJ-RBBKRZOGSA-N 1 0 377.488 4.149 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)cc1 ZINC000174459887 822793045 /nfs/dbraw/zinc/79/30/45/822793045.db2.gz HRQQJQKRLVFORX-DENIHFKCSA-N 1 0 382.577 4.271 20 30 GIEDRO C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456308061 822796813 /nfs/dbraw/zinc/79/68/13/822796813.db2.gz ONMXGGKDOZNYFM-HXUWFJFHSA-N 1 0 389.543 4.107 20 30 GIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)c1 ZINC000185575863 822798377 /nfs/dbraw/zinc/79/83/77/822798377.db2.gz PCWWPRQYBFTJPC-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000185582121 822799066 /nfs/dbraw/zinc/79/90/66/822799066.db2.gz PRLLTUZOIIXJMP-INIZCTEOSA-O 1 0 394.564 4.470 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000174514529 822799621 /nfs/dbraw/zinc/79/96/21/822799621.db2.gz HUODTUADFAILKO-INIZCTEOSA-N 1 0 397.906 4.418 20 30 GIEDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000052666558 822806950 /nfs/dbraw/zinc/80/69/50/822806950.db2.gz UGXFOKKYHOEJKT-UHFFFAOYSA-N 1 0 375.428 4.044 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000174579474 822807639 /nfs/dbraw/zinc/80/76/39/822807639.db2.gz BXAYGTOWVDMTHP-UTKZUKDTSA-N 1 0 395.503 4.333 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1ccccc1F ZINC000174601827 822810785 /nfs/dbraw/zinc/81/07/85/822810785.db2.gz GHQYQNYHMNYOBN-KRWDZBQOSA-N 1 0 378.451 4.160 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)c1cccc(O)c1 ZINC000174617415 822813048 /nfs/dbraw/zinc/81/30/48/822813048.db2.gz DDFUALVYIKJUBV-CQSZACIVSA-N 1 0 383.517 4.226 20 30 GIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000174655723 822818770 /nfs/dbraw/zinc/81/87/70/822818770.db2.gz BLUMDAXTXWSPPO-GOSISDBHSA-N 1 0 376.485 4.334 20 30 GIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000185788546 822821313 /nfs/dbraw/zinc/82/13/13/822821313.db2.gz FEMZTULZXFRGKJ-CRAIPNDOSA-N 1 0 377.326 4.169 20 30 GIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000185807718 822823058 /nfs/dbraw/zinc/82/30/58/822823058.db2.gz DQNLZFVIIVPUOZ-YJBOKZPZSA-N 1 0 377.326 4.169 20 30 GIEDRO N#CCc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000456739547 822828450 /nfs/dbraw/zinc/82/84/50/822828450.db2.gz VOECCNSXMHHUQA-FQEVSTJZSA-N 1 0 387.405 4.146 20 30 GIEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1nc(C(F)(F)F)cs1 ZINC000185941359 822835548 /nfs/dbraw/zinc/83/55/48/822835548.db2.gz OOLCHPDDOTVGMS-GFCCVEGCSA-N 1 0 385.411 4.162 20 30 GIEDRO C=C[C@@](C)(CC)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119224 822855121 /nfs/dbraw/zinc/85/51/21/822855121.db2.gz RAMOOUFTBBDVOD-QFIPXVFZSA-N 1 0 389.971 4.055 20 30 GIEDRO C=C[C@](C)(CC)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119222 822855137 /nfs/dbraw/zinc/85/51/37/822855137.db2.gz RAMOOUFTBBDVOD-JOCHJYFZSA-N 1 0 389.971 4.055 20 30 GIEDRO C[N@H+](CCCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000457196229 822860190 /nfs/dbraw/zinc/86/01/90/822860190.db2.gz HTYTYNRLCRBENU-UHFFFAOYSA-N 1 0 377.488 4.149 20 30 GIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000569113241 822881008 /nfs/dbraw/zinc/88/10/08/822881008.db2.gz WHAHCJLQUOGREA-HNNXBMFYSA-N 1 0 391.906 4.214 20 30 GIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000186388720 822886321 /nfs/dbraw/zinc/88/63/21/822886321.db2.gz OQCWFQBCGFAMAI-SCTDSRPQSA-N 1 0 389.565 4.060 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000054538840 822894232 /nfs/dbraw/zinc/89/42/32/822894232.db2.gz HLEFJNHDHAJLEX-UHFFFAOYSA-N 1 0 398.551 4.465 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000569254829 822897093 /nfs/dbraw/zinc/89/70/93/822897093.db2.gz WUPCSNKIIGCFHD-GOSISDBHSA-N 1 0 393.531 4.199 20 30 GIEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000186452019 822897832 /nfs/dbraw/zinc/89/78/32/822897832.db2.gz QJINOMBYUDOEQE-BFUOFWGJSA-N 1 0 380.460 4.304 20 30 GIEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000186452032 822897872 /nfs/dbraw/zinc/89/78/72/822897872.db2.gz QJINOMBYUDOEQE-DJJJIMSYSA-N 1 0 380.460 4.304 20 30 GIEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000569272629 822899357 /nfs/dbraw/zinc/89/93/57/822899357.db2.gz DDDALWJESPROOE-UHFFFAOYSA-N 1 0 378.476 4.204 20 30 GIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000569337022 822908988 /nfs/dbraw/zinc/90/89/88/822908988.db2.gz YJCPVXRPZTWDMR-XLIONFOSSA-N 1 0 379.479 4.177 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000569340092 822909293 /nfs/dbraw/zinc/90/92/93/822909293.db2.gz WWORGZYMVZDKGT-MRXNPFEDSA-N 1 0 382.817 4.066 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000569397172 822916566 /nfs/dbraw/zinc/91/65/66/822916566.db2.gz DMEVQKFAVFUTAX-UHFFFAOYSA-N 1 0 393.369 4.192 20 30 GIEDRO N#Cc1cnc2c(Br)cccc2c1NC1CC[NH+](C2CCC2)CC1 ZINC000569435557 822922770 /nfs/dbraw/zinc/92/27/70/822922770.db2.gz FNLQCYAJUHTYFW-UHFFFAOYSA-N 1 0 385.309 4.298 20 30 GIEDRO N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc1 ZINC000569466631 822926471 /nfs/dbraw/zinc/92/64/71/822926471.db2.gz HYFVPSMFGCILBS-OAQYLSRUSA-N 1 0 397.482 4.444 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055009697 822930552 /nfs/dbraw/zinc/93/05/52/822930552.db2.gz AWOCFFIEGYKFIB-UHFFFAOYSA-O 1 0 398.596 4.274 20 30 GIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccccc1C)[n+]1cccc(CO)c1 ZINC000055011549 822930841 /nfs/dbraw/zinc/93/08/41/822930841.db2.gz IZAQTPWEINROPF-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccccc2)c1 ZINC000055013367 822931196 /nfs/dbraw/zinc/93/11/96/822931196.db2.gz JVWNTBWPXUUKSH-QGZVFWFLSA-O 1 0 391.516 4.272 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC(C)(C)C)cc1 ZINC000055014658 822931387 /nfs/dbraw/zinc/93/13/87/822931387.db2.gz OTPIMTGENWBLPW-UHFFFAOYSA-O 1 0 377.480 4.142 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000186713536 822942979 /nfs/dbraw/zinc/94/29/79/822942979.db2.gz HOAUYQAZMMZXPY-NHYWBVRUSA-N 1 0 381.339 4.469 20 30 GIEDRO CCCOC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCCC1 ZINC000569855693 822976572 /nfs/dbraw/zinc/97/65/72/822976572.db2.gz CMEPZARWOSNTEZ-UHFFFAOYSA-N 1 0 381.524 4.078 20 30 GIEDRO CCc1ccccc1NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccccc1 ZINC000186958298 822986912 /nfs/dbraw/zinc/98/69/12/822986912.db2.gz OQWDOFZGBUKXCO-UHFFFAOYSA-O 1 0 380.493 4.192 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000186981946 822991955 /nfs/dbraw/zinc/99/19/55/822991955.db2.gz HNEGOOYQOXBWDQ-UHFFFAOYSA-O 1 0 390.598 4.127 20 30 GIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000175573126 823000332 /nfs/dbraw/zinc/00/03/32/823000332.db2.gz NUGPSMALSKWXOW-LJQANCHMSA-N 1 0 378.476 4.299 20 30 GIEDRO Cc1ccc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)cc1 ZINC000175721176 823026833 /nfs/dbraw/zinc/02/68/33/823026833.db2.gz SIOREPNLHNSMAC-UHFFFAOYSA-N 1 0 380.492 4.487 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000175766524 823034858 /nfs/dbraw/zinc/03/48/58/823034858.db2.gz CXIGZZSNQJJNGZ-UHFFFAOYSA-N 1 0 377.479 4.069 20 30 GIEDRO CC[C@H](C)c1ccccc1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060575956 823543960 /nfs/dbraw/zinc/54/39/60/823543960.db2.gz VAKHZTFYKKBUNI-IBGZPJMESA-N 1 0 393.531 4.041 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460948461 823548681 /nfs/dbraw/zinc/54/86/81/823548681.db2.gz WKRGESSPKAGLEE-ROUUACIJSA-N 1 0 392.551 4.312 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1C ZINC000123951199 823554649 /nfs/dbraw/zinc/55/46/49/823554649.db2.gz DYMIPJGTSAVGSA-WMZOPIPTSA-N 1 0 379.529 4.264 20 30 GIEDRO N#Cc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2Br)C2CC2)cc1 ZINC000411197754 823556550 /nfs/dbraw/zinc/55/65/50/823556550.db2.gz WPYJPPQYPKPDFT-UHFFFAOYSA-N 1 0 398.304 4.314 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411272430 823561532 /nfs/dbraw/zinc/56/15/32/823561532.db2.gz MLMQQGOLRFGXON-UHFFFAOYSA-N 1 0 392.503 4.232 20 30 GIEDRO COc1ccc(-c2nc(CN3CC[NH+](CC(C)(C)CCC#N)CC3)cs2)cc1 ZINC000124060292 823564048 /nfs/dbraw/zinc/56/40/48/823564048.db2.gz UTTGPUYBNPUQEZ-UHFFFAOYSA-N 1 0 398.576 4.266 20 30 GIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000411324809 823564578 /nfs/dbraw/zinc/56/45/78/823564578.db2.gz LYZOEHOOBNTNAA-FCHUYYIVSA-N 1 0 377.488 4.021 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1OCC ZINC000190354830 823565679 /nfs/dbraw/zinc/56/56/79/823565679.db2.gz DZMWZHWZIUVRLD-OIISXLGYSA-N 1 0 396.325 4.070 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000411353066 823565971 /nfs/dbraw/zinc/56/59/71/823565971.db2.gz PTVJJOIBHSBUNG-UHFFFAOYSA-N 1 0 398.304 4.318 20 30 GIEDRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000411385011 823568417 /nfs/dbraw/zinc/56/84/17/823568417.db2.gz WLMIXUKRZNAWBR-IBGZPJMESA-N 1 0 382.533 4.127 20 30 GIEDRO CN(C)[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000060958543 823569460 /nfs/dbraw/zinc/56/94/60/823569460.db2.gz XRAQCHAZYKQDMY-VWLOTQADSA-N 1 0 399.538 4.400 20 30 GIEDRO C[C@](O)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccsc1 ZINC000124138984 823571101 /nfs/dbraw/zinc/57/11/01/823571101.db2.gz YCFKKRFVFPCNDQ-QFIPXVFZSA-N 1 0 378.497 4.196 20 30 GIEDRO CCC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000061001958 823572105 /nfs/dbraw/zinc/57/21/05/823572105.db2.gz OTSQTPLATPFIGY-XMMPIXPASA-N 1 0 391.515 4.046 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1F ZINC000411456215 823576816 /nfs/dbraw/zinc/57/68/16/823576816.db2.gz JPTXJYLNJGMWTC-GFCCVEGCSA-N 1 0 375.831 4.039 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000411471529 823578747 /nfs/dbraw/zinc/57/87/47/823578747.db2.gz FIYOUUZKMZANSL-CYBMUJFWSA-N 1 0 386.839 4.108 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000190632557 823593720 /nfs/dbraw/zinc/59/37/20/823593720.db2.gz SABDACIFQZJWJD-LIRRHRJNSA-N 1 0 387.405 4.029 20 30 GIEDRO CCC[NH+]1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000061509873 823600688 /nfs/dbraw/zinc/60/06/88/823600688.db2.gz CVUOTBVZYDMGQF-UHFFFAOYSA-N 1 0 393.556 4.455 20 30 GIEDRO CC[NH+]1CCC(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000461223054 823601120 /nfs/dbraw/zinc/60/11/20/823601120.db2.gz ZSWYSYHOKUUUNK-UHFFFAOYSA-N 1 0 377.488 4.202 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1C#N ZINC000190734650 823603389 /nfs/dbraw/zinc/60/33/89/823603389.db2.gz CXGOWTGOSDURBO-UHFFFAOYSA-N 1 0 381.483 4.098 20 30 GIEDRO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000124622727 823611990 /nfs/dbraw/zinc/61/19/90/823611990.db2.gz UWTRDKAXUYEACO-DEOSSOPVSA-N 1 0 394.515 4.323 20 30 GIEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124690770 823617841 /nfs/dbraw/zinc/61/78/41/823617841.db2.gz HLHWUCMKISLZPD-FQEVSTJZSA-N 1 0 391.515 4.463 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411999614 823619931 /nfs/dbraw/zinc/61/99/31/823619931.db2.gz NBVCPLSQXQZHKQ-ISKFKSNPSA-N 1 0 393.527 4.009 20 30 GIEDRO CC(C)CCC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000124788292 823626268 /nfs/dbraw/zinc/62/62/68/823626268.db2.gz NBUJCOMBOIAURL-IBGZPJMESA-N 1 0 376.504 4.372 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1OCC ZINC000190950477 823629239 /nfs/dbraw/zinc/62/92/39/823629239.db2.gz BONAMYWJCKMVKA-CABCVRRESA-N 1 0 384.314 4.070 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375517 823630650 /nfs/dbraw/zinc/63/06/50/823630650.db2.gz MAFFTWCGCJYLDK-UHFFFAOYSA-N 1 0 392.837 4.086 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000062502091 823638952 /nfs/dbraw/zinc/63/89/52/823638952.db2.gz AMKKVBMIQYGSGG-MRXNPFEDSA-N 1 0 384.911 4.046 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063250296 823656781 /nfs/dbraw/zinc/65/67/81/823656781.db2.gz BWWWKIMJEMEJRS-UHFFFAOYSA-N 1 0 393.487 4.022 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000125249300 823662230 /nfs/dbraw/zinc/66/22/30/823662230.db2.gz AKCURBOLNDMLLO-UHFFFAOYSA-N 1 0 380.561 4.197 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000063400909 823668170 /nfs/dbraw/zinc/66/81/70/823668170.db2.gz QHRSNBLHRYESFZ-UHFFFAOYSA-N 1 0 388.515 4.052 20 30 GIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)cc1 ZINC000125367419 823671058 /nfs/dbraw/zinc/67/10/58/823671058.db2.gz NXGZWJYNMMEDTA-UZUQRXQVSA-N 1 0 380.488 4.244 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000063522080 823677373 /nfs/dbraw/zinc/67/73/73/823677373.db2.gz OKDIKCDFTBHLGO-UHFFFAOYSA-N 1 0 386.293 4.174 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1 ZINC000063549554 823678854 /nfs/dbraw/zinc/67/88/54/823678854.db2.gz QWPNEKJJZCNHQT-UHFFFAOYSA-N 1 0 395.528 4.134 20 30 GIEDRO CC(C)C(=O)N1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191477147 823689174 /nfs/dbraw/zinc/68/91/74/823689174.db2.gz ZEWVMDWSKFCMHG-UHFFFAOYSA-N 1 0 389.543 4.077 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000191486582 823690211 /nfs/dbraw/zinc/69/02/11/823690211.db2.gz DINGEZKJHUVOFD-UHFFFAOYSA-N 1 0 386.584 4.078 20 30 GIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000063750340 823693520 /nfs/dbraw/zinc/69/35/20/823693520.db2.gz PBNVNNGVPDBTBK-UHFFFAOYSA-N 1 0 387.483 4.492 20 30 GIEDRO N#CCCCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163472499 823713087 /nfs/dbraw/zinc/71/30/87/823713087.db2.gz KUTJAGSLPUBGSA-UHFFFAOYSA-N 1 0 377.532 4.104 20 30 GIEDRO Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413148848 823716262 /nfs/dbraw/zinc/71/62/62/823716262.db2.gz YWQRSDCLYLZCEV-QGZVFWFLSA-N 1 0 394.475 4.087 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000461917944 823753323 /nfs/dbraw/zinc/75/33/23/823753323.db2.gz GDMKSIMAEBIZOR-PGRDOPGGSA-N 1 0 391.515 4.014 20 30 GIEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000164140472 823780698 /nfs/dbraw/zinc/78/06/98/823780698.db2.gz ZWEQNMHLNLMZHY-UYAOXDASSA-N 1 0 391.540 4.266 20 30 GIEDRO C[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825066 823784823 /nfs/dbraw/zinc/78/48/23/823784823.db2.gz ZWSGOAGSFINVCT-GOEBONIOSA-N 1 0 376.342 4.063 20 30 GIEDRO C[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825096 823785656 /nfs/dbraw/zinc/78/56/56/823785656.db2.gz ZWSGOAGSFINVCT-HOCLYGCPSA-N 1 0 376.342 4.063 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000462001013 823790316 /nfs/dbraw/zinc/79/03/16/823790316.db2.gz RMIADDYGNBSEAT-QZTJIDSGSA-N 1 0 377.488 4.257 20 30 GIEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(OCC)cc3)CC2)c1 ZINC000191838893 823792381 /nfs/dbraw/zinc/79/23/81/823792381.db2.gz DKAWXGRWDKTZBG-UHFFFAOYSA-N 1 0 394.515 4.045 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462025885 823800239 /nfs/dbraw/zinc/80/02/39/823800239.db2.gz GYQLZTFQJVAALO-KRWDZBQOSA-N 1 0 379.529 4.158 20 30 GIEDRO N#Cc1cc(C(F)(F)F)ccc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413584232 823800913 /nfs/dbraw/zinc/80/09/13/823800913.db2.gz OBWSBBXAZOEKQY-UHFFFAOYSA-N 1 0 389.421 4.016 20 30 GIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000462081572 823822561 /nfs/dbraw/zinc/82/25/61/823822561.db2.gz CPYPMZBBDQFFRN-OALUTQOASA-N 1 0 375.516 4.442 20 30 GIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000462081573 823822606 /nfs/dbraw/zinc/82/26/06/823822606.db2.gz CPYPMZBBDQFFRN-RBUKOAKNSA-N 1 0 375.516 4.442 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000164982151 823827862 /nfs/dbraw/zinc/82/78/62/823827862.db2.gz MUVHNWCPHHPNOQ-MRXNPFEDSA-N 1 0 380.448 4.187 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000164998134 823829311 /nfs/dbraw/zinc/82/93/11/823829311.db2.gz PIVGELOBTGRXEW-SFHVURJKSA-N 1 0 388.467 4.072 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000413835093 823848082 /nfs/dbraw/zinc/84/80/82/823848082.db2.gz NJGSPKRLBIJATD-JOCHJYFZSA-N 1 0 392.547 4.127 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1OCCCC#N ZINC000064614605 823852855 /nfs/dbraw/zinc/85/28/55/823852855.db2.gz WOAMCRXOVSPDCB-UHFFFAOYSA-N 1 0 379.504 4.050 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)ccc1OC ZINC000168317758 823902183 /nfs/dbraw/zinc/90/21/83/823902183.db2.gz DWRKWLXYCIVSRL-HNNXBMFYSA-N 1 0 394.393 4.406 20 30 GIEDRO C/C(=C\c1nc2c(s1)C[N@H+](C(C)C)CC2)c1nc2ccccc2n1CC#N ZINC000414084294 823905030 /nfs/dbraw/zinc/90/50/30/823905030.db2.gz WUSWOHCAPUPNNJ-NTCAYCPXSA-N 1 0 377.517 4.343 20 30 GIEDRO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)o2)cc1 ZINC000192242987 823914447 /nfs/dbraw/zinc/91/44/47/823914447.db2.gz WXGQXPLNWMDOPP-JOCHJYFZSA-N 1 0 385.467 4.017 20 30 GIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1cccc(C#N)c1 ZINC000170647078 823925651 /nfs/dbraw/zinc/92/56/51/823925651.db2.gz BLZCPQOUABQPAO-UHFFFAOYSA-N 1 0 388.471 4.106 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192366342 823959882 /nfs/dbraw/zinc/95/98/82/823959882.db2.gz VGYLZOYBVROGID-CRAIPNDOSA-N 1 0 395.528 4.250 20 30 GIEDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462434494 823973797 /nfs/dbraw/zinc/97/37/97/823973797.db2.gz CXGKXLDESBWSIV-UGKGYDQZSA-N 1 0 375.516 4.080 20 30 GIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126917256 823980023 /nfs/dbraw/zinc/98/00/23/823980023.db2.gz SNKALUJAGOJYDM-GOSISDBHSA-N 1 0 391.540 4.267 20 30 GIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000575769913 823989835 /nfs/dbraw/zinc/98/98/35/823989835.db2.gz ROWQJIVGEJZWOH-GOSISDBHSA-N 1 0 382.508 4.025 20 30 GIEDRO CC(C)C1(c2ccccc2)C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000414533423 824003315 /nfs/dbraw/zinc/00/33/15/824003315.db2.gz IIKOLEOZCNCBJB-UHFFFAOYSA-N 1 0 385.515 4.268 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2coc(-c3cccs3)n2)c1 ZINC000170909329 824004053 /nfs/dbraw/zinc/00/40/53/824004053.db2.gz JSFNANVMSCAILF-UHFFFAOYSA-N 1 0 386.477 4.127 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000170946151 824011063 /nfs/dbraw/zinc/01/10/63/824011063.db2.gz WWJYMTVLZVVPLP-UHFFFAOYSA-N 1 0 392.471 4.397 20 30 GIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000127072859 824011538 /nfs/dbraw/zinc/01/15/38/824011538.db2.gz BOQSAJJYFXHALC-OAQYLSRUSA-N 1 0 376.504 4.317 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000127082823 824013836 /nfs/dbraw/zinc/01/38/36/824013836.db2.gz QRDQKISXUMUQAC-GAJHUEQPSA-N 1 0 385.467 4.195 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1OCC ZINC000414583201 824015716 /nfs/dbraw/zinc/01/57/16/824015716.db2.gz RZYXZJIFCLLYCA-HOCLYGCPSA-N 1 0 398.341 4.053 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000414727151 824028747 /nfs/dbraw/zinc/02/87/47/824028747.db2.gz AKXVAGACJLAEQJ-UHFFFAOYSA-N 1 0 394.544 4.002 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000414908655 824048544 /nfs/dbraw/zinc/04/85/44/824048544.db2.gz QNDMEHCEMUCSBH-NVXWUHKLSA-N 1 0 392.837 4.099 20 30 GIEDRO C=CCOc1c(Br)cc(CNc2ccc(C[NH3+])cc2)cc1OCC ZINC000414909209 824049158 /nfs/dbraw/zinc/04/91/58/824049158.db2.gz GCNORSCEXVAVDS-UHFFFAOYSA-N 1 0 391.309 4.483 20 30 GIEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915683 824049453 /nfs/dbraw/zinc/04/94/53/824049453.db2.gz ZKJNZYOAYBOTMS-PKOBYXMFSA-N 1 0 384.911 4.490 20 30 GIEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414915340 824049524 /nfs/dbraw/zinc/04/95/24/824049524.db2.gz ZDHGRWMNPFWWNX-ZSZQSSIHSA-N 1 0 382.895 4.196 20 30 GIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000192631201 824050879 /nfs/dbraw/zinc/05/08/79/824050879.db2.gz RGKYAHJETPHMJH-UHFFFAOYSA-N 1 0 382.895 4.040 20 30 GIEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414959882 824054213 /nfs/dbraw/zinc/05/42/13/824054213.db2.gz GAOMTBFDSRFUMX-ACJLOTCBSA-N 1 0 384.867 4.123 20 30 GIEDRO N#Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl ZINC001164623333 719108662 /nfs/dbraw/zinc/10/86/62/719108662.db2.gz CMLJLMRSZFIYQS-BEFAXECRSA-N 1 0 387.314 4.361 20 30 GIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C#N)cc4F)CC3)CC2)cc1 ZINC001164759206 721045515 /nfs/dbraw/zinc/04/55/15/721045515.db2.gz KZXKMZIYPLQIBF-UHFFFAOYSA-N 1 0 378.495 4.283 20 30 GIEDRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)cc1C#N ZINC001164795594 721503853 /nfs/dbraw/zinc/50/38/53/721503853.db2.gz MJGOFMFKWDIAAU-UHFFFAOYSA-N 1 0 395.938 4.191 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029505 721808922 /nfs/dbraw/zinc/80/89/22/721808922.db2.gz ZOCMSSDQLZVGEX-NKKJXINNSA-N 1 0 397.526 4.238 20 30 GIEDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000458574298 823058242 /nfs/dbraw/zinc/05/82/42/823058242.db2.gz XFWMCSUKYUFFEK-PTUXOGIPSA-N 1 0 390.531 4.384 20 30 GIEDRO CSc1ccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)cc1 ZINC000458580584 823059175 /nfs/dbraw/zinc/05/91/75/823059175.db2.gz OCUVOKJQVFUTFE-RTWAWAEBSA-N 1 0 396.560 4.355 20 30 GIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187445218 823064927 /nfs/dbraw/zinc/06/49/27/823064927.db2.gz LGTXPNPMHPJQRL-VLIAUNLRSA-N 1 0 375.415 4.312 20 30 GIEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458697701 823075463 /nfs/dbraw/zinc/07/54/63/823075463.db2.gz WJXKVUPXWITUMH-QFIPXVFZSA-N 1 0 378.520 4.025 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2noc(-c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 ZINC000570737226 823079023 /nfs/dbraw/zinc/07/90/23/823079023.db2.gz DIKFQMBQEZJSHQ-UHFFFAOYSA-N 1 0 398.470 4.242 20 30 GIEDRO CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458799966 823087570 /nfs/dbraw/zinc/08/75/70/823087570.db2.gz KSVHJLRAYZUSIK-GOTSBHOMSA-N 1 0 390.531 4.337 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458802100 823087921 /nfs/dbraw/zinc/08/79/21/823087921.db2.gz OTKNARXIEIDNTJ-JOCHJYFZSA-N 1 0 396.510 4.334 20 30 GIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182872 823097638 /nfs/dbraw/zinc/09/76/38/823097638.db2.gz OEKUNRCCYOEYJY-IRXDYDNUSA-N 1 0 395.503 4.424 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)c1C ZINC000120958890 823093041 /nfs/dbraw/zinc/09/30/41/823093041.db2.gz NWMFLSLCKHLZLK-JOCHJYFZSA-N 1 0 378.520 4.240 20 30 GIEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000176034424 823101752 /nfs/dbraw/zinc/10/17/52/823101752.db2.gz VKFDWNLHWILHQW-INIZCTEOSA-N 1 0 385.558 4.006 20 30 GIEDRO CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459109284 823128991 /nfs/dbraw/zinc/12/89/91/823128991.db2.gz DVNLMNPAALWIQF-LAUBAEHRSA-N 1 0 394.494 4.064 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187797989 823135438 /nfs/dbraw/zinc/13/54/38/823135438.db2.gz ZTJVJKDDQDXYMI-DYESRHJHSA-N 1 0 392.503 4.010 20 30 GIEDRO C=C(C)[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187785121 823132525 /nfs/dbraw/zinc/13/25/25/823132525.db2.gz YCHSBOWTAVVODS-FQEVSTJZSA-N 1 0 395.471 4.044 20 30 GIEDRO N#Cc1ccc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000571129241 823137418 /nfs/dbraw/zinc/13/74/18/823137418.db2.gz JBILTGSHZXYZMN-UHFFFAOYSA-N 1 0 392.478 4.217 20 30 GIEDRO C[N@H+](CCC(F)(F)F)[C@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000571309136 823163371 /nfs/dbraw/zinc/16/33/71/823163371.db2.gz BJJLIBHFICSFTB-QGZVFWFLSA-N 1 0 382.817 4.066 20 30 GIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000571360071 823170737 /nfs/dbraw/zinc/17/07/37/823170737.db2.gz YYYDHUQAUCDAKU-UHFFFAOYSA-N 1 0 387.483 4.181 20 30 GIEDRO CC[NH+](CC)[C@H](C/N=C/c1ccc(O)c(O)c1O)c1ccc(C(F)(F)F)cc1 ZINC000121439631 823184726 /nfs/dbraw/zinc/18/47/26/823184726.db2.gz KWUCLWRZQMSQRO-JKHIYUEESA-N 1 0 396.409 4.324 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)C(C)C ZINC000056690926 823193585 /nfs/dbraw/zinc/19/35/85/823193585.db2.gz CJSHHDOENHFDSV-HXUWFJFHSA-N 1 0 386.540 4.082 20 30 GIEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccco1 ZINC000571545130 823198428 /nfs/dbraw/zinc/19/84/28/823198428.db2.gz SOACQCPAAGAQLV-IBGZPJMESA-N 1 0 376.522 4.106 20 30 GIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1F ZINC000121564430 823206659 /nfs/dbraw/zinc/20/66/59/823206659.db2.gz JNIFDMPILQPXQS-CQSZACIVSA-N 1 0 389.858 4.085 20 30 GIEDRO C=CC[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000188222225 823205699 /nfs/dbraw/zinc/20/56/99/823205699.db2.gz UMJSBQPABVKQSV-RBBKRZOGSA-N 1 0 390.527 4.451 20 30 GIEDRO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000056764129 823209050 /nfs/dbraw/zinc/20/90/50/823209050.db2.gz VKYQVORFBBTORJ-SFHVURJKSA-N 1 0 376.504 4.469 20 30 GIEDRO N#CCCn1cc(C[NH+]2CC(Cc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000459561896 823220954 /nfs/dbraw/zinc/22/09/54/823220954.db2.gz NUASEULAIUKRBS-UHFFFAOYSA-N 1 0 391.906 4.187 20 30 GIEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000459600924 823227799 /nfs/dbraw/zinc/22/77/99/823227799.db2.gz BAONSDSGTZOMAA-UHFFFAOYSA-N 1 0 376.913 4.063 20 30 GIEDRO COc1ccccc1Oc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000176546623 823234280 /nfs/dbraw/zinc/23/42/80/823234280.db2.gz KLCUWZYKLIUZJE-UHFFFAOYSA-N 1 0 396.491 4.187 20 30 GIEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787773 823234453 /nfs/dbraw/zinc/23/44/53/823234453.db2.gz CGUMBKFZQHFABP-BJKOFHAPSA-N 1 0 393.531 4.012 20 30 GIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459635738 823234926 /nfs/dbraw/zinc/23/49/26/823234926.db2.gz GSNUAIBUSRERKY-INIZCTEOSA-N 1 0 396.560 4.223 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000176557468 823236568 /nfs/dbraw/zinc/23/65/68/823236568.db2.gz XZFAFQJXTXQRHM-UHFFFAOYSA-N 1 0 386.540 4.235 20 30 GIEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c(-c2ccccc2)n1 ZINC000121765530 823245993 /nfs/dbraw/zinc/24/59/93/823245993.db2.gz CPSUNSDHALMKNZ-DEOSSOPVSA-N 1 0 399.542 4.390 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000459667710 823246076 /nfs/dbraw/zinc/24/60/76/823246076.db2.gz OIAWCQLXKAGENV-WIYYLYMNSA-N 1 0 383.898 4.461 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCC(OC)CC2)cc1OC ZINC000459676028 823248298 /nfs/dbraw/zinc/24/82/98/823248298.db2.gz KVGJIBHJGCUARM-UHFFFAOYSA-N 1 0 384.314 4.070 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(C(F)(F)F)c1 ZINC000176709381 823274066 /nfs/dbraw/zinc/27/40/66/823274066.db2.gz ZVDAVJMMVLNZBY-XHDPSFHLSA-N 1 0 379.407 4.095 20 30 GIEDRO N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)cc1 ZINC000188648513 823279983 /nfs/dbraw/zinc/27/99/83/823279983.db2.gz FGLPFZDHQRKWIK-VWNXMTODSA-N 1 0 399.538 4.103 20 30 GIEDRO CC[N@H+](CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1)CC1CC1 ZINC000409713391 823288891 /nfs/dbraw/zinc/28/88/91/823288891.db2.gz CQEYYORXIZYXQF-UHFFFAOYSA-N 1 0 380.458 4.310 20 30 GIEDRO Cc1ccccc1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000007611139 817879348 /nfs/dbraw/zinc/87/93/48/817879348.db2.gz CZCOFFSEBLULCG-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000188749341 823297108 /nfs/dbraw/zinc/29/71/08/823297108.db2.gz LIPSTNKHTWUGAU-UHFFFAOYSA-N 1 0 389.499 4.093 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OCc1ccncc1 ZINC000176950812 823332595 /nfs/dbraw/zinc/33/25/95/823332595.db2.gz IASNSFRDYWPNFV-OAHLLOKOSA-N 1 0 379.485 4.453 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000188956085 823333824 /nfs/dbraw/zinc/33/38/24/823333824.db2.gz PZHHHECQGVHPKK-UHFFFAOYSA-N 1 0 381.545 4.264 20 30 GIEDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000572454690 823342583 /nfs/dbraw/zinc/34/25/83/823342583.db2.gz VRNCIWGSCWAJBK-AGHHOFFYSA-N 1 0 382.529 4.024 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c1C#N ZINC000019542426 818594399 /nfs/dbraw/zinc/59/43/99/818594399.db2.gz NIHIEJRSQYLEQM-SFHVURJKSA-N 1 0 390.487 4.249 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000122433088 823353429 /nfs/dbraw/zinc/35/34/29/823353429.db2.gz ODUVQETWGMGEMC-UHFFFAOYSA-N 1 0 396.453 4.218 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)ccc1OC ZINC000057967798 823351212 /nfs/dbraw/zinc/35/12/12/823351212.db2.gz PUAAILPHGFDHRI-QGZVFWFLSA-N 1 0 396.487 4.458 20 30 GIEDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCCCC2)cc1 ZINC000022344220 818795005 /nfs/dbraw/zinc/79/50/05/818795005.db2.gz MMWCRJPHVXOLDF-OAQYLSRUSA-N 1 0 380.448 4.114 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022733959 818852698 /nfs/dbraw/zinc/85/26/98/818852698.db2.gz SNZFVYYKNNREPB-UHFFFAOYSA-O 1 0 389.544 4.340 20 30 GIEDRO O=C(c1ccc(F)cc1F)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735616 818853036 /nfs/dbraw/zinc/85/30/36/818853036.db2.gz FBUZXIFXDHCOAX-UHFFFAOYSA-O 1 0 397.470 4.023 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(CCC)cc1 ZINC000022797442 818862046 /nfs/dbraw/zinc/86/20/46/818862046.db2.gz DDAMZRNTBZUCDM-UHFFFAOYSA-O 1 0 389.491 4.309 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023603810 818963335 /nfs/dbraw/zinc/96/33/35/818963335.db2.gz PFAQPWZIVIAVMH-UHFFFAOYSA-O 1 0 393.536 4.036 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460556224 823431359 /nfs/dbraw/zinc/43/13/59/823431359.db2.gz SFSADHYZPWYXFA-NQIIRXRSSA-N 1 0 379.552 4.221 20 30 GIEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460568260 823436763 /nfs/dbraw/zinc/43/67/63/823436763.db2.gz UJTNLIAFCANUGX-IEBWSBKVSA-N 1 0 391.519 4.330 20 30 GIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)N3CCCC3)cc2)c(O)c1 ZINC000025197878 819942085 /nfs/dbraw/zinc/94/20/85/819942085.db2.gz WRKULZLHFPWYMA-JJIBRWJFSA-N 1 0 379.504 4.094 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460581510 823443553 /nfs/dbraw/zinc/44/35/53/823443553.db2.gz ZBYZYFNHDMHEKQ-HXUWFJFHSA-N 1 0 397.542 4.039 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)c1 ZINC000177371377 823447607 /nfs/dbraw/zinc/44/76/07/823447607.db2.gz FWXMHOZIZUDHTL-UHFFFAOYSA-N 1 0 379.291 4.273 20 30 GIEDRO N#Cc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000573170141 823459522 /nfs/dbraw/zinc/45/95/22/823459522.db2.gz JFCMQTRGSXUKEH-UHFFFAOYSA-N 1 0 389.299 4.159 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)Nc2ccccc2)cc1 ZINC000027184090 820207388 /nfs/dbraw/zinc/20/73/88/820207388.db2.gz AJQJSYYDMFTDKT-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(C)c1 ZINC000027323396 820224234 /nfs/dbraw/zinc/22/42/34/820224234.db2.gz PPMSGHCQZUJQOZ-UHFFFAOYSA-O 1 0 381.565 4.490 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2cccc(OC)c2)C(=S)NC2CCCCC2)cc1 ZINC000027329095 820224669 /nfs/dbraw/zinc/22/46/69/820224669.db2.gz YVWVWHBDPNHFBS-UHFFFAOYSA-O 1 0 397.564 4.406 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1ccccc1 ZINC000027485461 820250991 /nfs/dbraw/zinc/25/09/91/820250991.db2.gz OADFKSYYSANKSR-SJLPKXTDSA-O 1 0 383.537 4.090 20 30 GIEDRO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000189637223 823464254 /nfs/dbraw/zinc/46/42/54/823464254.db2.gz KEXLKQSRROXSHX-OIBXWCBGSA-N 1 0 377.532 4.158 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(F)c1 ZINC000027594775 820265125 /nfs/dbraw/zinc/26/51/25/820265125.db2.gz PVIZDBLYXPUZQH-QHCPKHFHSA-N 1 0 387.458 4.397 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000177475137 823470958 /nfs/dbraw/zinc/47/09/58/823470958.db2.gz APPGTVYGNCJVEZ-QYZOEREBSA-N 1 0 379.504 4.112 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000410361283 823474365 /nfs/dbraw/zinc/47/43/65/823474365.db2.gz VDXXTASWEAFAIW-RTBURBONSA-N 1 0 390.531 4.493 20 30 GIEDRO CC(=O)c1ccc[n+](CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)c1 ZINC000029346643 820440734 /nfs/dbraw/zinc/44/07/34/820440734.db2.gz XCHPXNXMUSKICO-OAQYLSRUSA-N 1 0 389.500 4.057 20 30 GIEDRO CC[C@@](C)(O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000189745937 823486634 /nfs/dbraw/zinc/48/66/34/823486634.db2.gz SRVHUFZDCXPTKY-XMMPIXPASA-N 1 0 388.515 4.122 20 30 GIEDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273363 823488739 /nfs/dbraw/zinc/48/87/39/823488739.db2.gz RWVLYBDCFFFJTL-PGRDOPGGSA-N 1 0 393.531 4.060 20 30 GIEDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273820 823489105 /nfs/dbraw/zinc/48/91/05/823489105.db2.gz RWVLYBDCFFFJTL-AVRDEDQJSA-N 1 0 393.531 4.060 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410545208 823503328 /nfs/dbraw/zinc/50/33/28/823503328.db2.gz JUNUMUUHYOYJPR-WMZHIEFXSA-N 1 0 389.543 4.154 20 30 GIEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000060377538 823521467 /nfs/dbraw/zinc/52/14/67/823521467.db2.gz JQWQLBADZMPBDL-UHFFFAOYSA-N 1 0 375.394 4.431 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1OCC ZINC000189989134 823522357 /nfs/dbraw/zinc/52/23/57/823522357.db2.gz MUFIEJYOQOPMGW-RDJZCZTQSA-N 1 0 398.341 4.053 20 30 GIEDRO CC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477448 823532611 /nfs/dbraw/zinc/53/26/11/823532611.db2.gz DWZVRYNYRNRJLW-GOSISDBHSA-N 1 0 391.515 4.141 20 30 GIEDRO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477278 823532628 /nfs/dbraw/zinc/53/26/28/823532628.db2.gz NNNXSMGKVGBNLN-QGZVFWFLSA-N 1 0 386.499 4.007 20 30 GIEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857114 823537154 /nfs/dbraw/zinc/53/71/54/823537154.db2.gz YVSRQRFMUIUSSJ-GFCCVEGCSA-N 1 0 379.357 4.223 20 30 GIEDRO C[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000043180554 821374859 /nfs/dbraw/zinc/37/48/59/821374859.db2.gz IPWJDRXHHVKNHW-IBGZPJMESA-N 1 0 382.895 4.211 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1O ZINC000180796892 821463551 /nfs/dbraw/zinc/46/35/51/821463551.db2.gz MRHAUEYXTKTWKS-INIZCTEOSA-N 1 0 395.425 4.182 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000180810447 821472343 /nfs/dbraw/zinc/47/23/43/821472343.db2.gz LINQDCASAQPCMN-MAUKXSAKSA-N 1 0 383.448 4.444 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180975582 821567950 /nfs/dbraw/zinc/56/79/50/821567950.db2.gz GERPIGRLXRCMSQ-CQSZACIVSA-N 1 0 394.393 4.238 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)NC(C)C)[n+]1ccc(C(C)(C)C)cc1 ZINC000044557656 821608843 /nfs/dbraw/zinc/60/88/43/821608843.db2.gz YLJOYMSHFYKQAJ-UHFFFAOYSA-O 1 0 385.553 4.217 20 30 GIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000181139921 821658672 /nfs/dbraw/zinc/65/86/72/821658672.db2.gz MMWSNDZMYWNLBS-DNQXCXABSA-N 1 0 390.458 4.313 20 30 GIEDRO COCCc1nc(C)c([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000181215303 821702252 /nfs/dbraw/zinc/70/22/52/821702252.db2.gz KAONDFPQIDMJSY-CYBMUJFWSA-N 1 0 382.451 4.362 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181294033 821739915 /nfs/dbraw/zinc/73/99/15/821739915.db2.gz KEFUGKCGINVQGA-SFHVURJKSA-N 1 0 376.504 4.084 20 30 GIEDRO COCCc1nc(C)c([C@@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000181395066 821805392 /nfs/dbraw/zinc/80/53/92/821805392.db2.gz UCXPYCLEPNIUAN-CQSZACIVSA-N 1 0 375.563 4.096 20 30 GIEDRO CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000181401581 821808078 /nfs/dbraw/zinc/80/80/78/821808078.db2.gz YJFWUZRWRIZFEY-QHCPKHFHSA-N 1 0 396.966 4.069 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000181502710 821856419 /nfs/dbraw/zinc/85/64/19/821856419.db2.gz LEQWHGQHMFVYBF-UHFFFAOYSA-N 1 0 391.412 4.470 20 30 GIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000181546310 821875809 /nfs/dbraw/zinc/87/58/09/821875809.db2.gz OPYOCVCWARUTSG-INIZCTEOSA-N 1 0 394.519 4.477 20 30 GIEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000181574300 821885685 /nfs/dbraw/zinc/88/56/85/821885685.db2.gz JOEBTLLIRNUDMF-LPHOPBHVSA-N 1 0 381.476 4.056 20 30 GIEDRO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000181578265 821886918 /nfs/dbraw/zinc/88/69/18/821886918.db2.gz WWBFORDMZXYFPZ-QHCPKHFHSA-N 1 0 387.531 4.386 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3nc4c(s3)CCCC4)CC2)cc1 ZINC000181665621 821931922 /nfs/dbraw/zinc/93/19/22/821931922.db2.gz HZFFCJRVBVAYJL-UHFFFAOYSA-N 1 0 394.588 4.080 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181734795 821968144 /nfs/dbraw/zinc/96/81/44/821968144.db2.gz SYCWUPYIHDRETP-WMZOPIPTSA-N 1 0 385.458 4.182 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181861013 822019264 /nfs/dbraw/zinc/01/92/64/822019264.db2.gz DZTMUCUGFUJKEJ-UHFFFAOYSA-N 1 0 394.519 4.250 20 30 GIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181877833 822024148 /nfs/dbraw/zinc/02/41/48/822024148.db2.gz YQVFODZQFAOVDP-LJQANCHMSA-N 1 0 399.542 4.368 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887453 822027206 /nfs/dbraw/zinc/02/72/06/822027206.db2.gz OLEDWVLDUQIILV-HOTGVXAUSA-N 1 0 380.492 4.046 20 30 GIEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182060630 822078285 /nfs/dbraw/zinc/07/82/85/822078285.db2.gz QRWVVCZAJXZBON-GOSISDBHSA-N 1 0 377.488 4.154 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000182110626 822097936 /nfs/dbraw/zinc/09/79/36/822097936.db2.gz CMABDEYQRDSWIL-PKTZIBPZSA-N 1 0 395.934 4.296 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000182205288 822146116 /nfs/dbraw/zinc/14/61/16/822146116.db2.gz QAGWCKFULKJGGA-LLVKDONJSA-N 1 0 392.322 4.288 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182522519 822281420 /nfs/dbraw/zinc/28/14/20/822281420.db2.gz MNXGPDZPWGDXDC-HNNXBMFYSA-N 1 0 383.517 4.212 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000178032255 822290856 /nfs/dbraw/zinc/29/08/56/822290856.db2.gz ULFNULHTVRKTHJ-GOSISDBHSA-N 1 0 378.476 4.156 20 30 GIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066681 822307301 /nfs/dbraw/zinc/30/73/01/822307301.db2.gz OOIMOMBOHAJCDV-KRWDZBQOSA-N 1 0 387.524 4.015 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182645289 822337187 /nfs/dbraw/zinc/33/71/87/822337187.db2.gz DXYUMMZDBGVJNU-DLBZAZTESA-N 1 0 391.471 4.427 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178242139 822357850 /nfs/dbraw/zinc/35/78/50/822357850.db2.gz ICPWNHYJNXXUIJ-GMAHTHKFSA-N 1 0 388.515 4.385 20 30 GIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453458142 822367975 /nfs/dbraw/zinc/36/79/75/822367975.db2.gz YZSYRVQDFSSLFG-SFHVURJKSA-N 1 0 389.588 4.043 20 30 GIEDRO [NH2+]=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000178574172 822393127 /nfs/dbraw/zinc/39/31/27/822393127.db2.gz FMQJFJBTCGGAJQ-UHFFFAOYSA-N 1 0 378.398 4.112 20 30 GIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000178579723 822393675 /nfs/dbraw/zinc/39/36/75/822393675.db2.gz BCKLGECUODLCHO-BEFAXECRSA-N 1 0 377.529 4.052 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000045789356 822413955 /nfs/dbraw/zinc/41/39/55/822413955.db2.gz AUNSFPDKSMFTNP-LJQANCHMSA-N 1 0 390.531 4.132 20 30 GIEDRO C#CCOc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000183081438 822422239 /nfs/dbraw/zinc/42/22/39/822422239.db2.gz YUENJKPYAMUARL-IBGZPJMESA-N 1 0 378.516 4.076 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000179154237 822444860 /nfs/dbraw/zinc/44/48/60/822444860.db2.gz LAUNNYDXMAUWMT-UHFFFAOYSA-N 1 0 380.330 4.344 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 ZINC000183496382 822485863 /nfs/dbraw/zinc/48/58/63/822485863.db2.gz PYFGILNFNOWTOW-UHFFFAOYSA-N 1 0 381.467 4.304 20 30 GIEDRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046583624 822488452 /nfs/dbraw/zinc/48/84/52/822488452.db2.gz VTXUAXVTQGPCQY-CJNGLKHVSA-N 1 0 379.287 4.298 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179514121 822494381 /nfs/dbraw/zinc/49/43/81/822494381.db2.gz DNFDCTMNALZBIP-IAGOWNOFSA-N 1 0 397.906 4.267 20 30 GIEDRO C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000179553037 822502180 /nfs/dbraw/zinc/50/21/80/822502180.db2.gz QVKHIAKDXYIFFK-QDSKXPNFSA-N 1 0 397.607 4.142 20 30 GIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000046722448 822509748 /nfs/dbraw/zinc/50/97/48/822509748.db2.gz JDJPVKZUYIDRTH-UHFFFAOYSA-N 1 0 385.467 4.418 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000046858160 822524929 /nfs/dbraw/zinc/52/49/29/822524929.db2.gz WANGUZLJGFUXRB-KRWDZBQOSA-N 1 0 379.529 4.314 20 30 GIEDRO COc1ccccc1C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000183960254 822554143 /nfs/dbraw/zinc/55/41/43/822554143.db2.gz NTRWJSKQESGOLU-UHFFFAOYSA-N 1 0 389.543 4.243 20 30 GIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961449 822563622 /nfs/dbraw/zinc/56/36/22/822563622.db2.gz ZOGHGQDZYJFUJC-PGRDOPGGSA-N 1 0 375.516 4.079 20 30 GIEDRO CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000455047170 822579681 /nfs/dbraw/zinc/57/96/81/822579681.db2.gz PIZFNMIWDUWLFF-ZYSHUDEJSA-N 1 0 376.932 4.104 20 30 GIEDRO C=CCc1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc(OC)c1O ZINC000184176047 822591143 /nfs/dbraw/zinc/59/11/43/822591143.db2.gz DPXRVTZFRQHKHG-UHFFFAOYSA-N 1 0 397.450 4.041 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180027409 822600060 /nfs/dbraw/zinc/60/00/60/822600060.db2.gz AWFFBSPMKDRHNZ-GOSISDBHSA-N 1 0 384.524 4.097 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccsc1 ZINC000180043867 822603333 /nfs/dbraw/zinc/60/33/33/822603333.db2.gz CGVPFGKTBHUSHT-QAPCUYQASA-N 1 0 386.521 4.244 20 30 GIEDRO Cn1cc(C[NH2+]Cc2cc(Br)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000180057432 822605694 /nfs/dbraw/zinc/60/56/94/822605694.db2.gz JUUHNHKNYGRSEY-UHFFFAOYSA-N 1 0 387.306 4.073 20 30 GIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C2)CC1 ZINC000455227937 822612789 /nfs/dbraw/zinc/61/27/89/822612789.db2.gz WSJLZUQWHYUQNC-JOCHJYFZSA-N 1 0 381.564 4.097 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000184320042 822614334 /nfs/dbraw/zinc/61/43/34/822614334.db2.gz BKKUBCHBWMMSOR-HUUCEWRRSA-N 1 0 377.444 4.299 20 30 GIEDRO COc1cccc([C@@H](O)C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc2)c1 ZINC000180219842 822641549 /nfs/dbraw/zinc/64/15/49/822641549.db2.gz FDMDAQITSSGKSJ-QFIPXVFZSA-N 1 0 378.497 4.364 20 30 GIEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000180289170 822656414 /nfs/dbraw/zinc/65/64/14/822656414.db2.gz AIGVRPCLUYJOIF-UHFFFAOYSA-N 1 0 386.499 4.346 20 30 GIEDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)ccc1-n1cncn1 ZINC000180334271 822665255 /nfs/dbraw/zinc/66/52/55/822665255.db2.gz RJJBOFFJTOHMOX-UHFFFAOYSA-N 1 0 379.467 4.404 20 30 GIEDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cccc(C#N)c2)cn1 ZINC000048749698 822681189 /nfs/dbraw/zinc/68/11/89/822681189.db2.gz ZIHTWHCFWRSQLI-UHFFFAOYSA-N 1 0 375.428 4.053 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000048808880 822683954 /nfs/dbraw/zinc/68/39/54/822683954.db2.gz XKRKXFKRFPSZLO-LJQANCHMSA-N 1 0 390.531 4.351 20 30 GIEDRO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3cccs3)n2c1 ZINC000180508814 822693504 /nfs/dbraw/zinc/69/35/04/822693504.db2.gz PYPXNQOKDISVTA-IEBWSBKVSA-N 1 0 380.517 4.136 20 30 GIEDRO N#Cc1ccc2ncc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)n2c1 ZINC000180508833 822693528 /nfs/dbraw/zinc/69/35/28/822693528.db2.gz PYPXNQOKDISVTA-MJGOQNOKSA-N 1 0 380.517 4.136 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180547315 822700070 /nfs/dbraw/zinc/70/00/70/822700070.db2.gz CPJSFOQETYRBJY-SFHVURJKSA-N 1 0 387.277 4.355 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180556355 822701814 /nfs/dbraw/zinc/70/18/14/822701814.db2.gz OOJCGZDLZZZYCF-QGZVFWFLSA-N 1 0 398.528 4.156 20 30 GIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455700711 822706369 /nfs/dbraw/zinc/70/63/69/822706369.db2.gz IVIVGFIXZIRQHO-LJQANCHMSA-N 1 0 396.922 4.392 20 30 GIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455701859 822706681 /nfs/dbraw/zinc/70/66/81/822706681.db2.gz KIYCTPYDEZLYDK-UHFFFAOYSA-N 1 0 397.910 4.110 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000049790311 822709819 /nfs/dbraw/zinc/70/98/19/822709819.db2.gz GHMWJHBYRUTMPM-FQEVSTJZSA-N 1 0 399.560 4.291 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(Cl)c1 ZINC000455757478 822720660 /nfs/dbraw/zinc/72/06/60/822720660.db2.gz UCQPPHCRCCQUEC-GOSISDBHSA-N 1 0 386.883 4.348 20 30 GIEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455942315 822754462 /nfs/dbraw/zinc/75/44/62/822754462.db2.gz KOULSGXWCFGLMI-UHFFFAOYSA-N 1 0 380.517 4.269 20 30 GIEDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(OC)c(C#N)c3)ccn2)cc1 ZINC000174282500 822762592 /nfs/dbraw/zinc/76/25/92/822762592.db2.gz SVMXYGWLPIBOLC-UHFFFAOYSA-N 1 0 389.455 4.443 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000185335149 822767484 /nfs/dbraw/zinc/76/74/84/822767484.db2.gz HCXYDYSPNNLYKX-KRWDZBQOSA-N 1 0 378.426 4.226 20 30 GIEDRO C=C(C)[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)c(F)c1 ZINC000185447831 822785606 /nfs/dbraw/zinc/78/56/06/822785606.db2.gz QFFADESGAXPGPO-CZAAIQMYSA-N 1 0 389.490 4.240 20 30 GIEDRO C=CCc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc(OC)c1OC ZINC000456251675 822790209 /nfs/dbraw/zinc/79/02/09/822790209.db2.gz AEBKGWRNMNYSHV-HXUWFJFHSA-N 1 0 380.488 4.234 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000174464320 822793784 /nfs/dbraw/zinc/79/37/84/822793784.db2.gz BNEOBTSFELSTNC-FQEVSTJZSA-N 1 0 393.556 4.264 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1F ZINC000174497927 822797098 /nfs/dbraw/zinc/79/70/98/822797098.db2.gz FMZHDELMWKHGMJ-UHFFFAOYSA-N 1 0 394.450 4.049 20 30 GIEDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1C ZINC000053016348 822818622 /nfs/dbraw/zinc/81/86/22/822818622.db2.gz JXPQSDHAQYURKB-UHFFFAOYSA-N 1 0 383.517 4.109 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(F)c1F ZINC000053050485 822819877 /nfs/dbraw/zinc/81/98/77/822819877.db2.gz DCAQLSOGEBCUIM-UHFFFAOYSA-N 1 0 378.492 4.063 20 30 GIEDRO N#CCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000456739548 822828476 /nfs/dbraw/zinc/82/84/76/822828476.db2.gz VOECCNSXMHHUQA-HXUWFJFHSA-N 1 0 387.405 4.146 20 30 GIEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000185886555 822830096 /nfs/dbraw/zinc/83/00/96/822830096.db2.gz TXIZVUZBWBGWJW-WEYGHZABSA-N 1 0 382.529 4.160 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000053420133 822834051 /nfs/dbraw/zinc/83/40/51/822834051.db2.gz MBTZIIGOFMPQCK-SFHVURJKSA-N 1 0 398.553 4.318 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000054327335 822876800 /nfs/dbraw/zinc/87/68/00/822876800.db2.gz CKVBRPYLPQPFGT-HXUWFJFHSA-N 1 0 385.552 4.076 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000054425367 822883991 /nfs/dbraw/zinc/88/39/91/822883991.db2.gz KFEZFAZPJYPETH-GOSISDBHSA-N 1 0 376.485 4.334 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000569325561 822907877 /nfs/dbraw/zinc/90/78/77/822907877.db2.gz QDPUMTSJEHHQJX-NRFANRHFSA-N 1 0 398.934 4.247 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000569416024 822919531 /nfs/dbraw/zinc/91/95/31/822919531.db2.gz HQZUMOQZGQFMOM-NRFANRHFSA-N 1 0 387.527 4.274 20 30 GIEDRO CCOc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 ZINC000186697556 822939645 /nfs/dbraw/zinc/93/96/45/822939645.db2.gz CFQPCHRJPVZCRD-HSZRJFAPSA-N 1 0 391.515 4.035 20 30 GIEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000569805757 822971449 /nfs/dbraw/zinc/97/14/49/822971449.db2.gz ORUHZQXGJNFJCJ-XTWGIRIWSA-N 1 0 382.552 4.304 20 30 GIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1OCC ZINC000569811653 822971686 /nfs/dbraw/zinc/97/16/86/822971686.db2.gz OXZHDPYSWUXLGH-WBVHZDCISA-N 1 0 396.325 4.023 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)Nc1ccccc1 ZINC000186955602 822986427 /nfs/dbraw/zinc/98/64/27/822986427.db2.gz QBHBZNWFDYZGIR-UHFFFAOYSA-O 1 0 380.493 4.192 20 30 GIEDRO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1 ZINC000175518670 822989525 /nfs/dbraw/zinc/98/95/25/822989525.db2.gz WQBVIRLZQRQIHO-XMMPIXPASA-N 1 0 391.515 4.300 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000175528580 822991473 /nfs/dbraw/zinc/99/14/73/822991473.db2.gz MZAOGKPXSPAEMN-LJQANCHMSA-N 1 0 377.513 4.020 20 30 GIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000570065407 823002300 /nfs/dbraw/zinc/00/23/00/823002300.db2.gz YQDPIQHFIALNKJ-RHSMWYFYSA-N 1 0 375.456 4.127 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175618060 823007486 /nfs/dbraw/zinc/00/74/86/823007486.db2.gz WPWLZPVFEGVKBM-LJQANCHMSA-N 1 0 392.503 4.465 20 30 GIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000570128354 823008459 /nfs/dbraw/zinc/00/84/59/823008459.db2.gz GAXKRZDEJXRKIL-UHFFFAOYSA-N 1 0 380.822 4.462 20 30 GIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000175711574 823025289 /nfs/dbraw/zinc/02/52/89/823025289.db2.gz VJUDMNUBSHOMRL-IBGZPJMESA-N 1 0 378.476 4.299 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c(C(F)(F)F)c1 ZINC000570326170 823026071 /nfs/dbraw/zinc/02/60/71/823026071.db2.gz MVHKSOVSOOLXSC-MRXNPFEDSA-N 1 0 393.796 4.126 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000175741776 823030307 /nfs/dbraw/zinc/03/03/07/823030307.db2.gz JDWBPGHFWBDHSZ-GOSISDBHSA-N 1 0 391.540 4.267 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000175764139 823034258 /nfs/dbraw/zinc/03/42/58/823034258.db2.gz SEGFBUHJHAMCOV-QFBILLFUSA-N 1 0 379.529 4.264 20 30 GIEDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000187326756 823043882 /nfs/dbraw/zinc/04/38/82/823043882.db2.gz ULCAXCDAINXUPM-CYBMUJFWSA-N 1 0 375.266 4.216 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177913414 823545570 /nfs/dbraw/zinc/54/55/70/823545570.db2.gz BXFYXVOWYYNAJJ-UHFFFAOYSA-N 1 0 380.467 4.073 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)ccc1OC ZINC000060947224 823568669 /nfs/dbraw/zinc/56/86/69/823568669.db2.gz NVDFTRFUEXCQNH-UHFFFAOYSA-N 1 0 377.488 4.168 20 30 GIEDRO CC1CC[NH+](CCCNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000060960775 823569822 /nfs/dbraw/zinc/56/98/22/823569822.db2.gz FLGOUPIAGYEVAF-UHFFFAOYSA-N 1 0 377.532 4.349 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000411440763 823574382 /nfs/dbraw/zinc/57/43/82/823574382.db2.gz SRFSUGUBXIJDNR-SFHVURJKSA-N 1 0 383.517 4.187 20 30 GIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000061042448 823574929 /nfs/dbraw/zinc/57/49/29/823574929.db2.gz ZCPFHALLHYBBCH-INIZCTEOSA-N 1 0 396.350 4.111 20 30 GIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000411447794 823575403 /nfs/dbraw/zinc/57/54/03/823575403.db2.gz KBCMSWWLPWHQKN-MSOLQXFVSA-N 1 0 385.414 4.006 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(O)c1 ZINC000411450821 823576051 /nfs/dbraw/zinc/57/60/51/823576051.db2.gz GRNBDRDQHIBTRJ-ZIAGYGMSSA-N 1 0 383.517 4.130 20 30 GIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](Cc3ccccn3)C3CC3)sc2C1 ZINC000411456831 823576847 /nfs/dbraw/zinc/57/68/47/823576847.db2.gz ZVVBGSMULKSNTK-HNNXBMFYSA-N 1 0 394.544 4.133 20 30 GIEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 ZINC000411458931 823577235 /nfs/dbraw/zinc/57/72/35/823577235.db2.gz RKKNGGPPAHBDQO-KXBFYZLASA-N 1 0 397.544 4.050 20 30 GIEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000411483389 823580274 /nfs/dbraw/zinc/58/02/74/823580274.db2.gz BWOOCSPLCAOONV-OAQYLSRUSA-N 1 0 395.528 4.187 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCN(c4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000411521276 823584346 /nfs/dbraw/zinc/58/43/46/823584346.db2.gz SQVZLQPGYJNFQS-FOIQADDNSA-N 1 0 389.455 4.078 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528926 823585063 /nfs/dbraw/zinc/58/50/63/823585063.db2.gz HSAKRSDQHXFZAN-CJNGLKHVSA-N 1 0 395.484 4.221 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCC(=O)Nc3ccccc3C#N)oc21 ZINC000411528844 823585125 /nfs/dbraw/zinc/58/51/25/823585125.db2.gz HKFWLGVOQSQHBZ-OAHLLOKOSA-N 1 0 377.444 4.383 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-c2ccccc2)o1 ZINC000190612220 823591591 /nfs/dbraw/zinc/59/15/91/823591591.db2.gz VDMWLYRMTSNNHJ-UWJYYQICSA-N 1 0 385.467 4.270 20 30 GIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000190632349 823593610 /nfs/dbraw/zinc/59/36/10/823593610.db2.gz MTXHQNDCAMKXSQ-ORAYPTAESA-N 1 0 388.298 4.317 20 30 GIEDRO CC(C)(COCc1ccccc1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411664974 823595783 /nfs/dbraw/zinc/59/57/83/823595783.db2.gz DITPQFDWEUUORT-UHFFFAOYSA-N 1 0 397.544 4.022 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411940116 823615403 /nfs/dbraw/zinc/61/54/03/823615403.db2.gz HNJQURYIOOYMEM-BJKOFHAPSA-N 1 0 387.527 4.032 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C1 ZINC000061921726 823618607 /nfs/dbraw/zinc/61/86/07/823618607.db2.gz MNWUTDVENQKADF-OALUTQOASA-N 1 0 390.531 4.036 20 30 GIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411999626 823619915 /nfs/dbraw/zinc/61/99/15/823619915.db2.gz NBVCPLSQXQZHKQ-UPVQGACJSA-N 1 0 393.527 4.009 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412004129 823621175 /nfs/dbraw/zinc/62/11/75/823621175.db2.gz BOXFRAIIUVWKIV-QHCPKHFHSA-N 1 0 391.515 4.161 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1OCC ZINC000190950496 823629263 /nfs/dbraw/zinc/62/92/63/823629263.db2.gz BONAMYWJCKMVKA-GJZGRUSLSA-N 1 0 384.314 4.070 20 30 GIEDRO C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000412200361 823635033 /nfs/dbraw/zinc/63/50/33/823635033.db2.gz AYAJKHKPHUBJFW-INDWIESVSA-N 1 0 387.527 4.079 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000191287785 823667601 /nfs/dbraw/zinc/66/76/01/823667601.db2.gz DVFVLTQSCCPBQE-UHFFFAOYSA-N 1 0 394.519 4.137 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125391760 823672787 /nfs/dbraw/zinc/67/27/87/823672787.db2.gz SNNVRDPNWPQGNE-SFHVURJKSA-N 1 0 381.545 4.447 20 30 GIEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461646679 823674809 /nfs/dbraw/zinc/67/48/09/823674809.db2.gz BBXZQQDNXOZLTR-HXUWFJFHSA-N 1 0 376.504 4.231 20 30 GIEDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C#N)cc1 ZINC000063504299 823676616 /nfs/dbraw/zinc/67/66/16/823676616.db2.gz IKECTPIXMOYVOU-UHFFFAOYSA-N 1 0 380.448 4.016 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)ccc1OC ZINC000191363617 823676791 /nfs/dbraw/zinc/67/67/91/823676791.db2.gz ZGPCIQHJLHWGRH-QAPCUYQASA-N 1 0 384.524 4.487 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3Oc3cccnc3)CC2)cc1 ZINC000063517807 823677448 /nfs/dbraw/zinc/67/74/48/823677448.db2.gz AOUPVDIRRMXYMR-UHFFFAOYSA-N 1 0 398.510 4.453 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000191421544 823683569 /nfs/dbraw/zinc/68/35/69/823683569.db2.gz IUAZFSDSWICAPM-FCHUYYIVSA-N 1 0 399.579 4.428 20 30 GIEDRO C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc(C#N)c1 ZINC000461742409 823690430 /nfs/dbraw/zinc/69/04/30/823690430.db2.gz YDYHVCZREPZQTL-IBGZPJMESA-N 1 0 383.495 4.159 20 30 GIEDRO CC(C)OCc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750513 823693439 /nfs/dbraw/zinc/69/34/39/823693439.db2.gz DPNWDLAYPPYTDR-UHFFFAOYSA-N 1 0 393.531 4.010 20 30 GIEDRO C=CCN1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191511776 823693818 /nfs/dbraw/zinc/69/38/18/823693818.db2.gz AWRPYIOYMFVYQU-FQEVSTJZSA-N 1 0 393.369 4.157 20 30 GIEDRO CC(C)C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000574316142 823701578 /nfs/dbraw/zinc/70/15/78/823701578.db2.gz IYFVXLBNEKGDJD-UGKGYDQZSA-N 1 0 384.568 4.477 20 30 GIEDRO CC(C)C[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000574316141 823701582 /nfs/dbraw/zinc/70/15/82/823701582.db2.gz IYFVXLBNEKGDJD-SIKLNZKXSA-N 1 0 384.568 4.477 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000574361400 823708730 /nfs/dbraw/zinc/70/87/30/823708730.db2.gz OZXWTUHLXOHZHD-UHFFFAOYSA-N 1 0 381.907 4.495 20 30 GIEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000574395845 823718941 /nfs/dbraw/zinc/71/89/41/823718941.db2.gz ONJCOGFHLRJEHK-KNQAVFIVSA-N 1 0 382.552 4.012 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000125974797 823757874 /nfs/dbraw/zinc/75/78/74/823757874.db2.gz VMNXXRQWLXAEAB-UHFFFAOYSA-N 1 0 375.563 4.239 20 30 GIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000413401365 823769394 /nfs/dbraw/zinc/76/93/94/823769394.db2.gz MTTVJLIHRYAAGG-WMZHIEFXSA-N 1 0 392.547 4.094 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000126079936 823781646 /nfs/dbraw/zinc/78/16/46/823781646.db2.gz BCKLBGQKYVVJTO-IBGZPJMESA-N 1 0 393.878 4.077 20 30 GIEDRO C[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825082 823785512 /nfs/dbraw/zinc/78/55/12/823785512.db2.gz ZWSGOAGSFINVCT-GDBMZVCRSA-N 1 0 376.342 4.063 20 30 GIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462025886 823800384 /nfs/dbraw/zinc/80/03/84/823800384.db2.gz GYQLZTFQJVAALO-QGZVFWFLSA-N 1 0 379.529 4.158 20 30 GIEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000413705023 823822052 /nfs/dbraw/zinc/82/20/52/823822052.db2.gz ZCNSPZCXHYUXCI-UHFFFAOYSA-N 1 0 383.495 4.436 20 30 GIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2C1 ZINC000574810107 823833391 /nfs/dbraw/zinc/83/33/91/823833391.db2.gz XSPAXPAOHLDAOX-OAQYLSRUSA-N 1 0 386.499 4.241 20 30 GIEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1OCCCC#N ZINC000064613288 823852492 /nfs/dbraw/zinc/85/24/92/823852492.db2.gz XBBPFNZYOPWEIJ-UHFFFAOYSA-N 1 0 393.531 4.132 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175788 823854666 /nfs/dbraw/zinc/85/46/66/823854666.db2.gz AIYOHTHWIFTSCM-DFBJGRDBSA-N 1 0 395.506 4.476 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175790 823854722 /nfs/dbraw/zinc/85/47/22/823854722.db2.gz AIYOHTHWIFTSCM-UQBPGWFLSA-N 1 0 395.506 4.476 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC000192138374 823875661 /nfs/dbraw/zinc/87/56/61/823875661.db2.gz YMRMKEDCQBGNOA-MSOLQXFVSA-N 1 0 393.231 4.219 20 30 GIEDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166872979 823883424 /nfs/dbraw/zinc/88/34/24/823883424.db2.gz MCLODTWIGJYXGN-UHFFFAOYSA-N 1 0 376.416 4.304 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)cc1 ZINC000167180384 823888184 /nfs/dbraw/zinc/88/81/84/823888184.db2.gz GPWNYYNFIMBTGW-PMACEKPBSA-N 1 0 379.500 4.273 20 30 GIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792730 823895706 /nfs/dbraw/zinc/89/57/06/823895706.db2.gz XNAIBURQUQDVEG-MSOLQXFVSA-N 1 0 396.506 4.211 20 30 GIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000126816088 823958316 /nfs/dbraw/zinc/95/83/16/823958316.db2.gz NXMSETSBJNBOIH-KRWDZBQOSA-N 1 0 393.462 4.048 20 30 GIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c2ccccc21 ZINC000575504849 823974481 /nfs/dbraw/zinc/97/44/81/823974481.db2.gz OBVREPUPAXAYPI-FUHWJXTLSA-N 1 0 378.447 4.135 20 30 GIEDRO N#Cc1cnn2cc(C[N@H+](Cc3ccccc3C(F)(F)F)CC3CC3)cnc12 ZINC000575923353 824030609 /nfs/dbraw/zinc/03/06/09/824030609.db2.gz GJQCZAGACZUWMG-UHFFFAOYSA-N 1 0 385.393 4.032 20 30 GIEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000414898709 824047485 /nfs/dbraw/zinc/04/74/85/824047485.db2.gz DUHIFLPDTZEOCT-NQIIRXRSSA-N 1 0 382.895 4.244 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000414901648 824047967 /nfs/dbraw/zinc/04/79/67/824047967.db2.gz IXCXJIIYSUGOKH-SPYBWZPUSA-N 1 0 382.895 4.210 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1Cl ZINC000414903695 824048022 /nfs/dbraw/zinc/04/80/22/824048022.db2.gz LLIIMPJSYDPLPF-SFHVURJKSA-N 1 0 382.895 4.388 20 30 GIEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903039 824048028 /nfs/dbraw/zinc/04/80/28/824048028.db2.gz KYUVMHYWZQLHIL-HKUYNNGSSA-N 1 0 382.895 4.211 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000414902632 824048121 /nfs/dbraw/zinc/04/81/21/824048121.db2.gz KGUNFUUGLOGAOR-QOEFQVSFSA-N 1 0 396.922 4.444 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414966617 824055270 /nfs/dbraw/zinc/05/52/70/824055270.db2.gz OUEWQBPCDLJWRL-CABCVRRESA-N 1 0 384.867 4.253 20 30 GIEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414968131 824055641 /nfs/dbraw/zinc/05/56/41/824055641.db2.gz RIADIHJHWZRSOU-INIZCTEOSA-N 1 0 384.867 4.220 20 30 GIEDRO Cc1sc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c(C#N)c1C ZINC000109475773 136191998 /nfs/dbraw/zinc/19/19/98/136191998.db2.gz GAHFFTWQYRGLHY-UHFFFAOYSA-N 1 0 382.533 4.019 20 30 GIEDRO CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021526 721802740 /nfs/dbraw/zinc/80/27/40/721802740.db2.gz HKXRZSWNFPCYHF-WPYKKVEZSA-N 1 0 389.547 4.209 20 30 GIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(C#N)cc43)C[C@@H]21 ZINC001165029502 721808940 /nfs/dbraw/zinc/80/89/40/721808940.db2.gz ZOCMSSDQLZVGEX-FGCOXFRFSA-N 1 0 397.526 4.238 20 30 GIEDRO N#CC1(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)CCC1 ZINC001164996333 722199742 /nfs/dbraw/zinc/19/97/42/722199742.db2.gz UBXFHDVHAYJKCT-XMMPIXPASA-N 1 0 390.506 4.411 20 30 GIEDRO Cc1c(C#N)c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc2ccccc12 ZINC000570520721 823049169 /nfs/dbraw/zinc/04/91/69/823049169.db2.gz YRPMLNHUGSSXCM-UHFFFAOYSA-N 1 0 388.437 4.054 20 30 GIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000570608608 823061715 /nfs/dbraw/zinc/06/17/15/823061715.db2.gz FXDMWPQKLODQIU-UHFFFAOYSA-N 1 0 391.519 4.053 20 30 GIEDRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)o1 ZINC000187436871 823063401 /nfs/dbraw/zinc/06/34/01/823063401.db2.gz HPUDAOYFNZOGNP-MRXNPFEDSA-N 1 0 377.282 4.041 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055903357 823064595 /nfs/dbraw/zinc/06/45/95/823064595.db2.gz RBBBFOJIDSERMD-UHFFFAOYSA-N 1 0 387.483 4.493 20 30 GIEDRO N#CCCCNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458655347 823070329 /nfs/dbraw/zinc/07/03/29/823070329.db2.gz PFWFSULOTPETEB-QFIPXVFZSA-N 1 0 382.552 4.157 20 30 GIEDRO C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458779635 823084515 /nfs/dbraw/zinc/08/45/15/823084515.db2.gz RQENMLBOQOGAPB-BWAGFHJFSA-N 1 0 378.520 4.412 20 30 GIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458803788 823088720 /nfs/dbraw/zinc/08/87/20/823088720.db2.gz RMUSBFPRUWVECJ-HXUWFJFHSA-N 1 0 384.549 4.256 20 30 GIEDRO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000056156221 823091644 /nfs/dbraw/zinc/09/16/44/823091644.db2.gz QXRLCOMRYHQVBJ-OALUTQOASA-N 1 0 390.531 4.049 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1cccs1 ZINC000176006626 823094220 /nfs/dbraw/zinc/09/42/20/823094220.db2.gz CMGWDUUYOVFIPE-QFBILLFUSA-N 1 0 385.558 4.177 20 30 GIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182876 823097547 /nfs/dbraw/zinc/09/75/47/823097547.db2.gz OEKUNRCCYOEYJY-DLBZAZTESA-N 1 0 395.503 4.424 20 30 GIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl ZINC000176059791 823109450 /nfs/dbraw/zinc/10/94/50/823109450.db2.gz WCGCEUFKGCTNRU-UHFFFAOYSA-N 1 0 389.908 4.148 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176099586 823119662 /nfs/dbraw/zinc/11/96/62/823119662.db2.gz CVWXFPCTBSWZJW-YLJYHZDGSA-N 1 0 379.529 4.085 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(C#N)cc1 ZINC000571156800 823142372 /nfs/dbraw/zinc/14/23/72/823142372.db2.gz WPNUDVYSHKHZFS-KSSFIOAISA-N 1 0 378.426 4.366 20 30 GIEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121241088 823145519 /nfs/dbraw/zinc/14/55/19/823145519.db2.gz RSEDJTSIKMTTDC-YLJYHZDGSA-N 1 0 386.455 4.434 20 30 GIEDRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000459340250 823165213 /nfs/dbraw/zinc/16/52/13/823165213.db2.gz CSVMFSSRHBJHTE-ZFJSRUIDSA-N 1 0 375.516 4.183 20 30 GIEDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391294 823176540 /nfs/dbraw/zinc/17/65/40/823176540.db2.gz YXJNNKQKFIBMQW-KKSFZXQISA-N 1 0 380.488 4.320 20 30 GIEDRO N#Cc1ccc(OCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459411521 823187109 /nfs/dbraw/zinc/18/71/09/823187109.db2.gz DNVCCXBMJBBOCD-UHFFFAOYSA-N 1 0 387.487 4.100 20 30 GIEDRO C#CCOc1ccccc1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000188129090 823190943 /nfs/dbraw/zinc/19/09/43/823190943.db2.gz RPHOEXJOOMLRHX-UHFFFAOYSA-N 1 0 391.515 4.075 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1F ZINC000121540348 823202431 /nfs/dbraw/zinc/20/24/31/823202431.db2.gz RIOLVXMROZTJHY-KRWDZBQOSA-N 1 0 383.467 4.049 20 30 GIEDRO C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000056750800 823207003 /nfs/dbraw/zinc/20/70/03/823207003.db2.gz PYJFQSFGBSXSQU-UHFFFAOYSA-N 1 0 384.867 4.220 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764265 823209039 /nfs/dbraw/zinc/20/90/39/823209039.db2.gz BLAWCZTUYJNQKQ-UHFFFAOYSA-N 1 0 376.504 4.251 20 30 GIEDRO CC(C)[NH+](CCn1c(S[C@@H](C)CCC#N)nc2ccccc2c1=O)C(C)C ZINC000188251281 823209422 /nfs/dbraw/zinc/20/94/22/823209422.db2.gz KANHCORLBAEJPQ-KRWDZBQOSA-N 1 0 386.565 4.300 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056848277 823223390 /nfs/dbraw/zinc/22/33/90/823223390.db2.gz CDMXIBHZYDOUPH-UHFFFAOYSA-N 1 0 381.495 4.319 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000176542602 823233163 /nfs/dbraw/zinc/23/31/63/823233163.db2.gz MWIQOHKPAKUANE-UHFFFAOYSA-N 1 0 376.810 4.058 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(CCc2ccc(C#N)cc2)n1 ZINC000571816032 823238996 /nfs/dbraw/zinc/23/89/96/823238996.db2.gz YFOJNVMOMRFFNL-UHFFFAOYSA-N 1 0 390.487 4.114 20 30 GIEDRO CCN1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571862681 823247349 /nfs/dbraw/zinc/24/73/49/823247349.db2.gz HPJQFCZWYVEEHO-CTNGQTDRSA-N 1 0 376.397 4.020 20 30 GIEDRO CCN1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571862682 823247388 /nfs/dbraw/zinc/24/73/88/823247388.db2.gz HPJQFCZWYVEEHO-FPOVZHCZSA-N 1 0 376.397 4.020 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459665210 823245318 /nfs/dbraw/zinc/24/53/18/823245318.db2.gz JYRKYCUNHXFTIZ-KGLIPLIRSA-N 1 0 383.517 4.103 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1OC ZINC000459718923 823256264 /nfs/dbraw/zinc/25/62/64/823256264.db2.gz XRLNDKRIOLWNSI-AZUAARDMSA-N 1 0 389.517 4.074 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC2=CC[NH2+]CC2)cc1Cl ZINC000572100844 823283573 /nfs/dbraw/zinc/28/35/73/823283573.db2.gz KMRNAGTWBBYURK-HXUWFJFHSA-N 1 0 394.906 4.427 20 30 GIEDRO Cc1cc(C)c(N2CC[C@@H]([n+]3ccc(C(=O)c4ccccc4)cc3)C2=O)c(C)c1 ZINC000188671573 823284092 /nfs/dbraw/zinc/28/40/92/823284092.db2.gz URKGINYOTHXWJE-JOCHJYFZSA-N 1 0 385.487 4.108 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000007266815 817807388 /nfs/dbraw/zinc/80/73/88/817807388.db2.gz FBQJIQDLDDRXQX-JKSUJKDBSA-N 1 0 381.476 4.033 20 30 GIEDRO N#CC1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000572202019 823299042 /nfs/dbraw/zinc/29/90/42/823299042.db2.gz RHEVWFYTRLSBKY-ZYFYDLNSSA-N 1 0 394.563 4.012 20 30 GIEDRO N#Cc1cc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1F ZINC000176899209 823320071 /nfs/dbraw/zinc/32/00/71/823320071.db2.gz RTNBKTQJHQLTKF-UHFFFAOYSA-N 1 0 391.490 4.101 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122216483 823322950 /nfs/dbraw/zinc/32/29/50/823322950.db2.gz ILQXFBBYGYAEEJ-XLIONFOSSA-N 1 0 377.488 4.214 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2CCCCCC2)c1C#N ZINC000014705216 818259829 /nfs/dbraw/zinc/25/98/29/818259829.db2.gz WQPBIDACYMIFOP-UHFFFAOYSA-N 1 0 382.508 4.211 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000409848174 823324759 /nfs/dbraw/zinc/32/47/59/823324759.db2.gz ZPIXVPDOMXMQIL-IAGOWNOFSA-N 1 0 397.544 4.403 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572344267 823324775 /nfs/dbraw/zinc/32/47/75/823324775.db2.gz YZNRMUOLWSDCAU-DFNIBXOVSA-N 1 0 376.460 4.097 20 30 GIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2Cl)cc1 ZINC000572344617 823324971 /nfs/dbraw/zinc/32/49/71/823324971.db2.gz FTQNRHFPGMWASN-BEFAXECRSA-N 1 0 396.878 4.220 20 30 GIEDRO CCOc1ccc(-c2nc(CN(C)CCOCc3ccc(C#N)cc3)co2)cc1 ZINC000572351399 823325737 /nfs/dbraw/zinc/32/57/37/823325737.db2.gz WKSDFVAPCYJGDE-UHFFFAOYSA-N 1 0 391.471 4.261 20 30 GIEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC000057747678 823327759 /nfs/dbraw/zinc/32/77/59/823327759.db2.gz ZDHCVANQNWEYAC-UHFFFAOYSA-N 1 0 396.494 4.229 20 30 GIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000057942860 823349134 /nfs/dbraw/zinc/34/91/34/823349134.db2.gz WCLLCHHIAPGKIO-UNMCSNQZSA-N 1 0 397.515 4.009 20 30 GIEDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572538972 823357264 /nfs/dbraw/zinc/35/72/64/823357264.db2.gz PICUYBFSEALOMW-VQTJNVASSA-N 1 0 386.902 4.449 20 30 GIEDRO CCOc1ccc(CCC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000022134782 818775170 /nfs/dbraw/zinc/77/51/70/818775170.db2.gz GMRNUDHQDPXWHY-NTKDMRAZSA-N 1 0 399.579 4.173 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1CC ZINC000022686358 818843815 /nfs/dbraw/zinc/84/38/15/818843815.db2.gz CZOMHLCAMBBEMB-UHFFFAOYSA-O 1 0 382.336 4.392 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022796823 818861757 /nfs/dbraw/zinc/86/17/57/818861757.db2.gz GTRDZKHOKGNZBC-UHFFFAOYSA-O 1 0 379.549 4.266 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022805247 818863153 /nfs/dbraw/zinc/86/31/53/818863153.db2.gz BXXXPYXQJASXPP-UHFFFAOYSA-O 1 0 397.564 4.190 20 30 GIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000058523955 823403940 /nfs/dbraw/zinc/40/39/40/823403940.db2.gz KHSWFEIYAUPUFB-JRFVFWCSSA-N 1 0 378.516 4.151 20 30 GIEDRO O=C(Nc1ccccc1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177246885 823409003 /nfs/dbraw/zinc/40/90/03/823409003.db2.gz YWFPDSGBZVVDEM-UHFFFAOYSA-N 1 0 386.417 4.408 20 30 GIEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000122825143 823419038 /nfs/dbraw/zinc/41/90/38/823419038.db2.gz DLZDOGYHXZABPM-NRFANRHFSA-N 1 0 384.882 4.030 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccccc3)CC1)CCC2 ZINC000058626245 823419333 /nfs/dbraw/zinc/41/93/33/823419333.db2.gz OJTAKTFXIQNDDQ-UHFFFAOYSA-N 1 0 379.529 4.317 20 30 GIEDRO C=C(C)Cn1c(C2CC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460555713 823431124 /nfs/dbraw/zinc/43/11/24/823431124.db2.gz QVMYJTXRMWOJNA-XMMPIXPASA-N 1 0 391.563 4.224 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC ZINC000189630093 823462544 /nfs/dbraw/zinc/46/25/44/823462544.db2.gz ITFYIAJFUIPBII-APWZRJJASA-N 1 0 387.442 4.223 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc2c(c1)CCCC2 ZINC000027324326 820224177 /nfs/dbraw/zinc/22/41/77/820224177.db2.gz NMEGQJGZBJFHPF-UHFFFAOYSA-O 1 0 384.569 4.126 20 30 GIEDRO CCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027318346 820224238 /nfs/dbraw/zinc/22/42/38/820224238.db2.gz VOFRVOWUFGWUPG-UHFFFAOYSA-O 1 0 385.553 4.219 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(CC)cc1 ZINC000027325317 820224631 /nfs/dbraw/zinc/22/46/31/820224631.db2.gz BJOHUKFKQPUION-UHFFFAOYSA-O 1 0 377.480 4.143 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)c1 ZINC000027485310 820250498 /nfs/dbraw/zinc/25/04/98/820250498.db2.gz MCSKCECFNXENQN-YLJYHZDGSA-O 1 0 397.564 4.398 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1ccccc1 ZINC000027485457 820250982 /nfs/dbraw/zinc/25/09/82/820250982.db2.gz OADFKSYYSANKSR-FUHWJXTLSA-O 1 0 383.537 4.090 20 30 GIEDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(F)c1 ZINC000027594779 820264949 /nfs/dbraw/zinc/26/49/49/820264949.db2.gz PVIZDBLYXPUZQH-HSZRJFAPSA-N 1 0 387.458 4.397 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1 ZINC000410345725 823468666 /nfs/dbraw/zinc/46/86/66/823468666.db2.gz DJHIDRPSSRJZOX-RBUKOAKNSA-N 1 0 390.531 4.493 20 30 GIEDRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000189727073 823483131 /nfs/dbraw/zinc/48/31/31/823483131.db2.gz KPBLWKDHCYIYDF-VIFPVBQESA-N 1 0 394.356 4.258 20 30 GIEDRO CC(=O)c1cc[n+](CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 ZINC000029342255 820440048 /nfs/dbraw/zinc/44/00/48/820440048.db2.gz VDPGAISXKCKHMU-NRFANRHFSA-N 1 0 389.500 4.057 20 30 GIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+]1C ZINC000123217758 823480278 /nfs/dbraw/zinc/48/02/78/823480278.db2.gz ASTNYQQNVDWTBS-RDJZCZTQSA-N 1 0 381.451 4.044 20 30 GIEDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000123273599 823488621 /nfs/dbraw/zinc/48/86/21/823488621.db2.gz RWVLYBDCFFFJTL-GCJKJVERSA-N 1 0 393.531 4.060 20 30 GIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)o1 ZINC000030217409 820588277 /nfs/dbraw/zinc/58/82/77/820588277.db2.gz DXDKTYBJCBLGGS-UHFFFAOYSA-N 1 0 396.672 4.028 20 30 GIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531902 820633452 /nfs/dbraw/zinc/63/34/52/820633452.db2.gz JUBSGEIUVUTUPI-CVDCTZTESA-N 1 0 386.495 4.108 20 30 GIEDRO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000030547350 820637715 /nfs/dbraw/zinc/63/77/15/820637715.db2.gz RCCQJTHGRLCHHU-QFIPXVFZSA-N 1 0 394.515 4.217 20 30 GIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410507723 823500529 /nfs/dbraw/zinc/50/05/29/823500529.db2.gz IODWXMOGGLKMHJ-HXUWFJFHSA-N 1 0 389.543 4.250 20 30 GIEDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccccc2-c2ccccc2C#N)([NH+](C)C)C1 ZINC000059891321 823501836 /nfs/dbraw/zinc/50/18/36/823501836.db2.gz MOMKXPAFTCVLIX-HOYKHHGWSA-N 1 0 375.516 4.466 20 30 GIEDRO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000031620437 820835345 /nfs/dbraw/zinc/83/53/45/820835345.db2.gz UTELTEWPJIVVLP-UHFFFAOYSA-N 1 0 380.488 4.498 20 30 GIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786563 823512148 /nfs/dbraw/zinc/51/21/48/823512148.db2.gz KIMFOYXSBJZIJN-VQTJNVASSA-N 1 0 397.567 4.051 20 30 GIEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460799499 823515669 /nfs/dbraw/zinc/51/56/69/823515669.db2.gz OEEJVVMYDVWHDL-UHFFFAOYSA-N 1 0 385.581 4.346 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000032480439 820956524 /nfs/dbraw/zinc/95/65/24/820956524.db2.gz SUEQBRKHWNDPGE-DEOSSOPVSA-N 1 0 399.494 4.170 20 30 GIEDRO CNC(=S)C(C(=O)c1cc(Cl)ccc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000123681502 823531155 /nfs/dbraw/zinc/53/11/55/823531155.db2.gz CBUXZCMCCYMAKY-UHFFFAOYSA-O 1 0 394.347 4.318 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@H]1c1ccccc1 ZINC000460872520 823533434 /nfs/dbraw/zinc/53/34/34/823533434.db2.gz ACNZRRIWMMPYRY-PMACEKPBSA-N 1 0 382.577 4.388 20 30 GIEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042740995 821329358 /nfs/dbraw/zinc/32/93/58/821329358.db2.gz QCUMYXPEIXHEIC-LJQANCHMSA-N 1 0 390.531 4.489 20 30 GIEDRO Cc1c(Cl)cccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043174539 821373970 /nfs/dbraw/zinc/37/39/70/821373970.db2.gz JPRSMZLUOKAXLL-UHFFFAOYSA-N 1 0 382.895 4.260 20 30 GIEDRO C[NH+]1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000043180555 821374734 /nfs/dbraw/zinc/37/47/34/821374734.db2.gz IPWJDRXHHVKNHW-LJQANCHMSA-N 1 0 382.895 4.211 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000043268817 821383597 /nfs/dbraw/zinc/38/35/97/821383597.db2.gz GDWVNIFRORQRMK-UHFFFAOYSA-N 1 0 386.858 4.091 20 30 GIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307175 821390103 /nfs/dbraw/zinc/39/01/03/821390103.db2.gz KWHVSFGIEAIYDM-NRFANRHFSA-N 1 0 396.922 4.190 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1OC ZINC000180813113 821473612 /nfs/dbraw/zinc/47/36/12/821473612.db2.gz BIPYGBHRBOGVAT-MGPUTAFESA-N 1 0 381.476 4.185 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813051 821473704 /nfs/dbraw/zinc/47/37/04/821473704.db2.gz SHXGEAKUAXLARY-UTKZUKDTSA-N 1 0 390.487 4.413 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)ccc1OC ZINC000180813249 821474504 /nfs/dbraw/zinc/47/45/04/821474504.db2.gz PTLZRCNNMFQVJQ-FCHUYYIVSA-N 1 0 393.531 4.130 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814475 821475227 /nfs/dbraw/zinc/47/52/27/821475227.db2.gz KMGUWGFLYDVCPM-MOPGFXCFSA-N 1 0 396.487 4.388 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CSCCc3ccccc32)ccc1OC ZINC000180817287 821477754 /nfs/dbraw/zinc/47/77/54/821477754.db2.gz OPKQAJRMWUAUJC-AZUAARDMSA-N 1 0 382.529 4.496 20 30 GIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C3)cs1 ZINC000180880419 821509948 /nfs/dbraw/zinc/50/99/48/821509948.db2.gz CWBBNLXDMRFCGZ-GOSISDBHSA-N 1 0 381.526 4.143 20 30 GIEDRO C=C(C)COCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946545 821551715 /nfs/dbraw/zinc/55/17/15/821551715.db2.gz BRRPMNBOAXJPDZ-HXUWFJFHSA-N 1 0 393.936 4.015 20 30 GIEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)cc1OCCCC#N ZINC000181027400 821600624 /nfs/dbraw/zinc/60/06/24/821600624.db2.gz RLYLCECXRBLGFH-IBGZPJMESA-N 1 0 399.922 4.400 20 30 GIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc2c(c1)OCCO2 ZINC000181227623 821706355 /nfs/dbraw/zinc/70/63/55/821706355.db2.gz KRPLVKOLSHMMSJ-KRWDZBQOSA-N 1 0 387.277 4.333 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181250349 821718345 /nfs/dbraw/zinc/71/83/45/821718345.db2.gz QVWYNXRYFGEIHE-UHFFFAOYSA-N 1 0 375.444 4.286 20 30 GIEDRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)CCN2C2CC2)c1 ZINC000181283424 821734405 /nfs/dbraw/zinc/73/44/05/821734405.db2.gz YYOZKMBIGGPNKG-GAZXMLTASA-N 1 0 391.515 4.226 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181496625 821853917 /nfs/dbraw/zinc/85/39/17/821853917.db2.gz XJYYTMAZNNEUBE-OAQYLSRUSA-N 1 0 387.527 4.226 20 30 GIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000181509218 821860022 /nfs/dbraw/zinc/86/00/22/821860022.db2.gz YREYEJVIDXUSGT-INIZCTEOSA-N 1 0 385.458 4.475 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524826 821866858 /nfs/dbraw/zinc/86/68/58/821866858.db2.gz AUCDCXXBSHUYHN-CZUORRHYSA-N 1 0 390.833 4.022 20 30 GIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181540675 821874353 /nfs/dbraw/zinc/87/43/53/821874353.db2.gz JWJPYIHQXLKRKX-UHFFFAOYSA-N 1 0 397.910 4.377 20 30 GIEDRO CN(CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181553197 821878790 /nfs/dbraw/zinc/87/87/90/821878790.db2.gz QBKRDFIAFOCYGC-UHFFFAOYSA-N 1 0 376.548 4.029 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC000181586782 821891294 /nfs/dbraw/zinc/89/12/94/821891294.db2.gz PBIACMIBDSMPAO-VWLOTQADSA-N 1 0 382.511 4.297 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000181610269 821902589 /nfs/dbraw/zinc/90/25/89/821902589.db2.gz HJKIUROBAFFVIE-NEPJUHHUSA-N 1 0 379.382 4.465 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000181628810 821911919 /nfs/dbraw/zinc/91/19/19/821911919.db2.gz CEVAVNPFAOLPIO-JOCHJYFZSA-N 1 0 388.540 4.358 20 30 GIEDRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181637935 821916335 /nfs/dbraw/zinc/91/63/35/821916335.db2.gz FGQCIPIXXWMVNA-MBSDFSHPSA-N 1 0 375.516 4.394 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181823915 822007276 /nfs/dbraw/zinc/00/72/76/822007276.db2.gz TYZDXNBUTOVQRO-HQRMLTQVSA-N 1 0 387.524 4.323 20 30 GIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181836026 822012436 /nfs/dbraw/zinc/01/24/36/822012436.db2.gz MUPHQRNVHIDXMU-RTBURBONSA-N 1 0 387.527 4.128 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136615 822112062 /nfs/dbraw/zinc/11/20/62/822112062.db2.gz CLMXYSFSGRWPGS-FOIQADDNSA-N 1 0 381.476 4.185 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c1C#N ZINC000182334753 822205528 /nfs/dbraw/zinc/20/55/28/822205528.db2.gz XHYXUQZSYHWYPM-QGZVFWFLSA-N 1 0 390.487 4.216 20 30 GIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000182517628 822278815 /nfs/dbraw/zinc/27/88/15/822278815.db2.gz XAKTURWXEKPCTN-NSHDSACASA-N 1 0 397.422 4.425 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045190570 822369336 /nfs/dbraw/zinc/36/93/36/822369336.db2.gz OLWDIXCYKSSYIW-UHFFFAOYSA-N 1 0 390.531 4.276 20 30 GIEDRO CC(C)C(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182949498 822398442 /nfs/dbraw/zinc/39/84/42/822398442.db2.gz VWXJECNXKJKQQB-UHFFFAOYSA-N 1 0 376.504 4.229 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183032595 822414832 /nfs/dbraw/zinc/41/48/32/822414832.db2.gz GWKJWCAGMIZHCX-UHFFFAOYSA-N 1 0 395.469 4.207 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098771 822424226 /nfs/dbraw/zinc/42/42/26/822424226.db2.gz VVOIKMNNTPBDPY-KUHUBIRLSA-N 1 0 385.414 4.006 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179105696 822438728 /nfs/dbraw/zinc/43/87/28/822438728.db2.gz ZGWWZQORHSLEOR-VGOFRKELSA-N 1 0 377.488 4.071 20 30 GIEDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179470814 822487439 /nfs/dbraw/zinc/48/74/39/822487439.db2.gz TWTIRZLNGGASSL-AVUHJFIJSA-N 1 0 397.881 4.173 20 30 GIEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000183534752 822491207 /nfs/dbraw/zinc/49/12/07/822491207.db2.gz LSECPHZNADGTRQ-DLBZAZTESA-N 1 0 384.524 4.120 20 30 GIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000183609536 822500842 /nfs/dbraw/zinc/50/08/42/822500842.db2.gz ZQGMJKGYDQDUPG-INIZCTEOSA-N 1 0 399.454 4.088 20 30 GIEDRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000046886798 822526914 /nfs/dbraw/zinc/52/69/14/822526914.db2.gz ROPMGWJIXCHPBF-FQEVSTJZSA-N 1 0 396.560 4.234 20 30 GIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179723945 822535491 /nfs/dbraw/zinc/53/54/91/822535491.db2.gz SMMQOCQTNSKTJX-MLGOLLRUSA-N 1 0 391.418 4.437 20 30 GIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179723910 822535596 /nfs/dbraw/zinc/53/55/96/822535596.db2.gz SMMQOCQTNSKTJX-LRDDRELGSA-N 1 0 391.418 4.437 20 30 GIEDRO N#Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C(F)(F)F ZINC000184023695 822566187 /nfs/dbraw/zinc/56/61/87/822566187.db2.gz YBBKUUHPSNZTDH-UHFFFAOYSA-N 1 0 389.421 4.146 20 30 GIEDRO C=CCN(CCC#N)C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000455078719 822586162 /nfs/dbraw/zinc/58/61/62/822586162.db2.gz SALNAFPQXGANKB-JOCHJYFZSA-N 1 0 398.551 4.400 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964248 822586716 /nfs/dbraw/zinc/58/67/16/822586716.db2.gz VEINMTHMOLVTLJ-NYHFZMIOSA-N 1 0 381.451 4.077 20 30 GIEDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1SC ZINC000180014181 822596627 /nfs/dbraw/zinc/59/66/27/822596627.db2.gz BVIDIFJGSKRKHV-UHFFFAOYSA-N 1 0 392.528 4.321 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000180031802 822601195 /nfs/dbraw/zinc/60/11/95/822601195.db2.gz RLYBXTRKDTWDKV-ROUUACIJSA-N 1 0 380.492 4.010 20 30 GIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000180059293 822606003 /nfs/dbraw/zinc/60/60/03/822606003.db2.gz SAFSQGDZYUQLPQ-UHFFFAOYSA-N 1 0 375.394 4.375 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000184270640 822606578 /nfs/dbraw/zinc/60/65/78/822606578.db2.gz HYFHJKLRZKSHMU-QGZVFWFLSA-N 1 0 387.524 4.104 20 30 GIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 ZINC000184328986 822616011 /nfs/dbraw/zinc/61/60/11/822616011.db2.gz MTGWZCKYZFCARO-HZPDHXFCSA-N 1 0 383.492 4.132 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)c(C)c2c1 ZINC000184332107 822616765 /nfs/dbraw/zinc/61/67/65/822616765.db2.gz FIVLFJWIIYHKGH-ZDUSSCGKSA-N 1 0 383.473 4.362 20 30 GIEDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180126388 822620902 /nfs/dbraw/zinc/62/09/02/822620902.db2.gz WNKYLQAPNMTBLY-XUZZJYLKSA-N 1 0 386.499 4.216 20 30 GIEDRO COc1cccc([C@H](O)C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc2)c1 ZINC000180219828 822641644 /nfs/dbraw/zinc/64/16/44/822641644.db2.gz FDMDAQITSSGKSJ-JOCHJYFZSA-N 1 0 378.497 4.364 20 30 GIEDRO C=CCc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(O)c(OC)c1 ZINC000180276697 822652934 /nfs/dbraw/zinc/65/29/34/822652934.db2.gz QWNYAGZODWTXRO-UHFFFAOYSA-N 1 0 395.425 4.182 20 30 GIEDRO Cn1cc(CNc2ccc(CC[NH+]3CCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180319885 822662798 /nfs/dbraw/zinc/66/27/98/822662798.db2.gz XYWMEDDLVPJYPS-UHFFFAOYSA-N 1 0 385.515 4.209 20 30 GIEDRO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000455619426 822685329 /nfs/dbraw/zinc/68/53/29/822685329.db2.gz RMWVQUMOJHIIJC-SFHVURJKSA-N 1 0 390.531 4.460 20 30 GIEDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180552535 822701044 /nfs/dbraw/zinc/70/10/44/822701044.db2.gz HZLKYEIKOIWSCV-CQSZACIVSA-N 1 0 391.393 4.115 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(I)cc1 ZINC000180556062 822701610 /nfs/dbraw/zinc/70/16/10/822701610.db2.gz OKYISGJWFFOBLN-ZDUSSCGKSA-N 1 0 392.240 4.044 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000049790310 822709667 /nfs/dbraw/zinc/70/96/67/822709667.db2.gz GHMWJHBYRUTMPM-HXUWFJFHSA-N 1 0 399.560 4.291 20 30 GIEDRO C[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1n1ccnc1 ZINC000180611855 822712044 /nfs/dbraw/zinc/71/20/44/822712044.db2.gz YMJSMRVZRXQWHW-DVECYGJZSA-N 1 0 386.499 4.417 20 30 GIEDRO Cn1cc(Br)cc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000180614229 822712831 /nfs/dbraw/zinc/71/28/31/822712831.db2.gz SRQHCVQWNLGYKP-UHFFFAOYSA-N 1 0 376.298 4.102 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184928336 822714629 /nfs/dbraw/zinc/71/46/29/822714629.db2.gz CZOPXDRNQKZSTP-UHFFFAOYSA-N 1 0 384.549 4.110 20 30 GIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455777260 822724557 /nfs/dbraw/zinc/72/45/57/822724557.db2.gz GBSGDXYOWITUTL-MAUKXSAKSA-N 1 0 397.910 4.123 20 30 GIEDRO N#CCc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000455916777 822748898 /nfs/dbraw/zinc/74/88/98/822748898.db2.gz JAYGRCJHJKNLAZ-UHFFFAOYSA-N 1 0 376.504 4.450 20 30 GIEDRO CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000455917963 822749175 /nfs/dbraw/zinc/74/91/75/822749175.db2.gz KOVUMJPNKFBLAQ-XMSQKQJNSA-N 1 0 376.504 4.442 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)c1 ZINC000455922411 822750088 /nfs/dbraw/zinc/75/00/88/822750088.db2.gz QPTQGXZIBUWXHL-OAQYLSRUSA-N 1 0 376.504 4.129 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455925273 822750522 /nfs/dbraw/zinc/75/05/22/822750522.db2.gz XGCIFPIYIOWXBU-GOSISDBHSA-N 1 0 376.504 4.306 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+](C)C ZINC000455941062 822754052 /nfs/dbraw/zinc/75/40/52/822754052.db2.gz IMNIRVQMJWWMNZ-DNVCBOLYSA-N 1 0 380.517 4.123 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000174460893 822793203 /nfs/dbraw/zinc/79/32/03/822793203.db2.gz QXMSKLQLPYUVQR-GFCCVEGCSA-N 1 0 399.800 4.213 20 30 GIEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccc(C)cc2)c1 ZINC000185583103 822799139 /nfs/dbraw/zinc/79/91/39/822799139.db2.gz SFBKLVDQLNDPJK-UHFFFAOYSA-O 1 0 396.495 4.186 20 30 GIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1ccc(F)cc1 ZINC000174602848 822810931 /nfs/dbraw/zinc/81/09/31/822810931.db2.gz WAZDHXYUMRUCEE-QGZVFWFLSA-N 1 0 378.451 4.160 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000052833938 822812539 /nfs/dbraw/zinc/81/25/39/822812539.db2.gz ZKOOIVPVPMXZHJ-UHFFFAOYSA-N 1 0 389.268 4.255 20 30 GIEDRO C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754705 822817965 /nfs/dbraw/zinc/81/79/65/822817965.db2.gz KXHKVGUNKJXMMA-SJLPKXTDSA-N 1 0 380.454 4.179 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000185979390 822840489 /nfs/dbraw/zinc/84/04/89/822840489.db2.gz RTWPXNDHOOSYTG-ZDUSSCGKSA-N 1 0 382.411 4.103 20 30 GIEDRO C[N@H+](CCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1 ZINC000457169436 822858627 /nfs/dbraw/zinc/85/86/27/822858627.db2.gz FRZQLUORXABKFI-UHFFFAOYSA-N 1 0 393.556 4.455 20 30 GIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186261764 822866471 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4.381 20 30 GIEDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000569537284 822936537 /nfs/dbraw/zinc/93/65/37/822936537.db2.gz QTIYJCSHCPZLRQ-KSSFIOAISA-N 1 0 390.405 4.087 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000186691975 822938312 /nfs/dbraw/zinc/93/83/12/822938312.db2.gz BLTDOTDDHWIXDQ-YPMHNXCESA-N 1 0 381.339 4.469 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000186713552 822942926 /nfs/dbraw/zinc/94/29/26/822942926.db2.gz HOAUYQAZMMZXPY-IAQYHMDHSA-N 1 0 381.339 4.469 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)Nc2ccccc2F)cc1 ZINC000186954098 822986214 /nfs/dbraw/zinc/98/62/14/822986214.db2.gz ZHRVWONCVYWHMG-UHFFFAOYSA-O 1 0 398.483 4.331 20 30 GIEDRO CCc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)cc1 ZINC000186957357 822986680 /nfs/dbraw/zinc/98/66/80/822986680.db2.gz CCRYDNFOCBOQOL-UHFFFAOYSA-O 1 0 380.493 4.192 20 30 GIEDRO CCc1cccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)c1 ZINC000186958870 822986905 /nfs/dbraw/zinc/98/69/05/822986905.db2.gz OMBDGSNMFMQKED-UHFFFAOYSA-O 1 0 380.493 4.192 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(C)c(F)c1)[n+]1ccccc1 ZINC000186958576 822986943 /nfs/dbraw/zinc/98/69/43/822986943.db2.gz OJSXAORYTRWNMR-UHFFFAOYSA-O 1 0 384.456 4.077 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cc(C)ccc1F)[n+]1ccccc1 ZINC000186964487 822988585 /nfs/dbraw/zinc/98/85/85/822988585.db2.gz VXZWSUXOZLUYBK-UHFFFAOYSA-O 1 0 384.456 4.077 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000569953149 822989461 /nfs/dbraw/zinc/98/94/61/822989461.db2.gz CWYBUVYJWPMANU-ROUUACIJSA-N 1 0 383.517 4.126 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2cccs2)CC1 ZINC000187208450 823025114 /nfs/dbraw/zinc/02/51/14/823025114.db2.gz FOJQUQOZKSYYGJ-HXUWFJFHSA-N 1 0 393.556 4.241 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460931915 823545032 /nfs/dbraw/zinc/54/50/32/823545032.db2.gz MPAMJHZUZRKLER-UHFFFAOYSA-N 1 0 397.542 4.039 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4ncco4)cc3F)CC2)cc1 ZINC000411123792 823550003 /nfs/dbraw/zinc/55/00/03/823550003.db2.gz FIWBCEGFPUBZRJ-UHFFFAOYSA-N 1 0 390.462 4.060 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)COc2ccc(F)cc2F)ccc1OC ZINC000060949075 823568779 /nfs/dbraw/zinc/56/87/79/823568779.db2.gz CYKVHJOLNCVDEC-HNNXBMFYSA-N 1 0 377.431 4.485 20 30 GIEDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411427740 823572978 /nfs/dbraw/zinc/57/29/78/823572978.db2.gz UKGAQJKUVJNFGM-GJZGRUSLSA-N 1 0 382.533 4.161 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124199074 823576733 /nfs/dbraw/zinc/57/67/33/823576733.db2.gz RZDYNZFWROOLLA-HRCADAONSA-N 1 0 397.441 4.041 20 30 GIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000124228868 823579307 /nfs/dbraw/zinc/57/93/07/823579307.db2.gz QPUYJVQJVIULBB-QFIPXVFZSA-N 1 0 389.543 4.241 20 30 GIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000411519619 823583963 /nfs/dbraw/zinc/58/39/63/823583963.db2.gz SQNGIEYPWNTEGE-IUODEOHRSA-N 1 0 388.562 4.271 20 30 GIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609833 823591182 /nfs/dbraw/zinc/59/11/82/823591182.db2.gz NFXNVBFFJBZBBY-WOJBJXKFSA-N 1 0 399.441 4.001 20 30 GIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)F ZINC000190620935 823592597 /nfs/dbraw/zinc/59/25/97/823592597.db2.gz XHCOEWPUQMADLU-RTBURBONSA-N 1 0 399.441 4.001 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628808 823593461 /nfs/dbraw/zinc/59/34/61/823593461.db2.gz RGBISQCOFUTGMO-VGSWGCGISA-N 1 0 391.515 4.187 20 30 GIEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000061547679 823602863 /nfs/dbraw/zinc/60/28/63/823602863.db2.gz LWHHNMNSSYITIC-UHFFFAOYSA-N 1 0 379.529 4.066 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461256329 823606085 /nfs/dbraw/zinc/60/60/85/823606085.db2.gz HWFLFJYUNIDYIS-MRXNPFEDSA-N 1 0 384.442 4.217 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C1 ZINC000061660880 823607745 /nfs/dbraw/zinc/60/77/45/823607745.db2.gz LHYFJQDYCZQWPL-SFTDATJTSA-N 1 0 389.543 4.015 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000461263773 823608343 /nfs/dbraw/zinc/60/83/43/823608343.db2.gz MTSHITQNBYQTRB-QFIPXVFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061776931 823613600 /nfs/dbraw/zinc/61/36/00/823613600.db2.gz UUIKAXZFGZBMOF-UHFFFAOYSA-N 1 0 398.532 4.052 20 30 GIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C1 ZINC000061915095 823618416 /nfs/dbraw/zinc/61/84/16/823618416.db2.gz FMDCXRYFPSTEFE-OALUTQOASA-N 1 0 390.531 4.036 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1OCC ZINC000190950528 823629251 /nfs/dbraw/zinc/62/92/51/823629251.db2.gz BONAMYWJCKMVKA-LSDHHAIUSA-N 1 0 384.314 4.070 20 30 GIEDRO N#CC[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461426997 823634517 /nfs/dbraw/zinc/63/45/17/823634517.db2.gz KEYDVAADDAKURX-SMIHKQSGSA-N 1 0 387.527 4.054 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4cc(F)cc(C(F)(F)F)c4)CC3)n2c1 ZINC000191101415 823649259 /nfs/dbraw/zinc/64/92/59/823649259.db2.gz KYGQWOULEDYVDF-UHFFFAOYSA-N 1 0 388.368 4.185 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288191 823660216 /nfs/dbraw/zinc/66/02/16/823660216.db2.gz FINZGNDSSCXHBC-UHFFFAOYSA-N 1 0 385.489 4.334 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000063299729 823660965 /nfs/dbraw/zinc/66/09/65/823660965.db2.gz KSXCLUWFLJQCDM-SFHVURJKSA-N 1 0 391.298 4.293 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000063388207 823666378 /nfs/dbraw/zinc/66/63/78/823666378.db2.gz YWUZQTIRGBGEBB-HTAPYJJXSA-N 1 0 384.907 4.338 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000063401239 823668199 /nfs/dbraw/zinc/66/81/99/823668199.db2.gz PGWIPQVKDTWXCU-JOCHJYFZSA-N 1 0 382.552 4.156 20 30 GIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21 ZINC000125380168 823671821 /nfs/dbraw/zinc/67/18/21/823671821.db2.gz GWWDKBYSMLSBQA-AVRDEDQJSA-N 1 0 390.487 4.299 20 30 GIEDRO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461646678 823674762 /nfs/dbraw/zinc/67/47/62/823674762.db2.gz BBXZQQDNXOZLTR-FQEVSTJZSA-N 1 0 376.504 4.231 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)ccc1OC ZINC000191363590 823676775 /nfs/dbraw/zinc/67/67/75/823676775.db2.gz ZGPCIQHJLHWGRH-YJBOKZPZSA-N 1 0 384.524 4.487 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000191363805 823676783 /nfs/dbraw/zinc/67/67/83/823676783.db2.gz KXUSQMBEOAMVNT-UHFFFAOYSA-N 1 0 396.491 4.165 20 30 GIEDRO CCCNc1ccc(C#N)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461670886 823678648 /nfs/dbraw/zinc/67/86/48/823678648.db2.gz FUDCQCHFTCBQDC-UHFFFAOYSA-N 1 0 376.504 4.231 20 30 GIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000063566077 823679870 /nfs/dbraw/zinc/67/98/70/823679870.db2.gz VOYKFOYAVOMZKB-OAHLLOKOSA-N 1 0 382.287 4.088 20 30 GIEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)CCCCC2)cc1 ZINC000063631716 823685184 /nfs/dbraw/zinc/68/51/84/823685184.db2.gz CLPUDHBNSVHRKZ-SFHVURJKSA-N 1 0 391.515 4.386 20 30 GIEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)CCCCC2)cc1 ZINC000063631699 823685191 /nfs/dbraw/zinc/68/51/91/823685191.db2.gz AAYTVIJOOZDQOZ-LJQANCHMSA-N 1 0 397.563 4.218 20 30 GIEDRO Cc1noc([C@@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000191459655 823687570 /nfs/dbraw/zinc/68/75/70/823687570.db2.gz QZCZRFNCHATMLC-HXUWFJFHSA-N 1 0 386.499 4.457 20 30 GIEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000461740733 823690034 /nfs/dbraw/zinc/69/00/34/823690034.db2.gz MPTWAMQYNUPPTA-WZONZLPQSA-N 1 0 391.515 4.014 20 30 GIEDRO CCCNC(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191488978 823690387 /nfs/dbraw/zinc/69/03/87/823690387.db2.gz CNCGHDQRZKYRBB-UHFFFAOYSA-N 1 0 389.543 4.125 20 30 GIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000063774550 823694867 /nfs/dbraw/zinc/69/48/67/823694867.db2.gz OJKSNJGKYPQMGT-CQSZACIVSA-N 1 0 385.895 4.115 20 30 GIEDRO Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)cc1C#N ZINC000461787736 823695276 /nfs/dbraw/zinc/69/52/76/823695276.db2.gz VCVZOQMDVMXZNL-GASCZTMLSA-N 1 0 384.911 4.136 20 30 GIEDRO Cc1nc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000461787260 823695309 /nfs/dbraw/zinc/69/53/09/823695309.db2.gz UGJRZOUJHHBHIV-GASCZTMLSA-N 1 0 384.911 4.136 20 30 GIEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000063779390 823695430 /nfs/dbraw/zinc/69/54/30/823695430.db2.gz IEKGLALPPFFJAH-UHFFFAOYSA-N 1 0 391.540 4.018 20 30 GIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)no1 ZINC000191634034 823720114 /nfs/dbraw/zinc/72/01/14/823720114.db2.gz SSCPWAHNFNXUPS-UHFFFAOYSA-N 1 0 380.473 4.058 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)N[C@@H](C)Cc2ccccc2)c1 ZINC000191700440 823740396 /nfs/dbraw/zinc/74/03/96/823740396.db2.gz DOGVPLXMIFSUNH-IBGZPJMESA-O 1 0 389.544 4.442 20 30 GIEDRO N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413278620 823744295 /nfs/dbraw/zinc/74/42/95/823744295.db2.gz GTNICBVRZKEABB-HXUWFJFHSA-N 1 0 386.421 4.074 20 30 GIEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(C#N)c1 ZINC000461904064 823746984 /nfs/dbraw/zinc/74/69/84/823746984.db2.gz SQCKMMYKHFWHBP-MOPGFXCFSA-N 1 0 375.516 4.353 20 30 GIEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000574492693 823747269 /nfs/dbraw/zinc/74/72/69/823747269.db2.gz ONOXKIKNQTWIJP-VDGAXYAQSA-N 1 0 388.943 4.076 20 30 GIEDRO C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000461910199 823750582 /nfs/dbraw/zinc/75/05/82/823750582.db2.gz URSVUQVOWUXAPD-OALUTQOASA-N 1 0 375.516 4.210 20 30 GIEDRO N#CC1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000574509783 823752156 /nfs/dbraw/zinc/75/21/56/823752156.db2.gz COHIETNQQXNGIQ-UHFFFAOYSA-N 1 0 382.552 4.192 20 30 GIEDRO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919627 823754953 /nfs/dbraw/zinc/75/49/53/823754953.db2.gz GKLPBRAWMPGGKP-AUSIDOKSSA-N 1 0 375.516 4.251 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549140 823761813 /nfs/dbraw/zinc/76/18/13/823761813.db2.gz LTPCCUKIHZUVNW-XQFWAAQXSA-N 1 0 394.563 4.232 20 30 GIEDRO Cc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(Cl)cc1C#N ZINC000461941273 823766617 /nfs/dbraw/zinc/76/66/17/823766617.db2.gz KMPRXCOZTPXTAA-UHFFFAOYSA-N 1 0 398.938 4.398 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953696 823770311 /nfs/dbraw/zinc/77/03/11/823770311.db2.gz AYDVAEOFBZTRBR-CGTJXYLNSA-N 1 0 396.457 4.080 20 30 GIEDRO Cc1cc(S[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000574637362 823787410 /nfs/dbraw/zinc/78/74/10/823787410.db2.gz JSDMJJJYDPXWNK-GOSISDBHSA-N 1 0 393.556 4.128 20 30 GIEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000462119638 823834675 /nfs/dbraw/zinc/83/46/75/823834675.db2.gz GPORVLNAIFLERM-SFHVURJKSA-N 1 0 396.510 4.138 20 30 GIEDRO C=CCC[C@H](CC)[NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000462120685 823835187 /nfs/dbraw/zinc/83/51/87/823835187.db2.gz KPKLVJGHWYBXNT-FQEVSTJZSA-N 1 0 383.536 4.276 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1OCCCC#N ZINC000064613651 823852288 /nfs/dbraw/zinc/85/22/88/823852288.db2.gz FEUFNLFOTCZRQZ-UHFFFAOYSA-N 1 0 376.403 4.269 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000126408398 823859391 /nfs/dbraw/zinc/85/93/91/823859391.db2.gz BVTFHCHUBOGGFZ-UXHICEINSA-N 1 0 390.531 4.273 20 30 GIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CC3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000575027227 823892620 /nfs/dbraw/zinc/89/26/20/823892620.db2.gz WARKQZCFGQKXMG-VZYOYLOZSA-N 1 0 387.527 4.223 20 30 GIEDRO C[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccc(C#N)c1 ZINC000462265793 823906119 /nfs/dbraw/zinc/90/61/19/823906119.db2.gz CGVKOTPJXNLPGU-FQEVSTJZSA-N 1 0 387.527 4.176 20 30 GIEDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462279407 823910722 /nfs/dbraw/zinc/91/07/22/823910722.db2.gz YMXVZXXNIBFFLF-XQAUZQBESA-N 1 0 399.897 4.263 20 30 GIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCSCc2ccccc2C#N)c(C)c1 ZINC000170670778 823932197 /nfs/dbraw/zinc/93/21/97/823932197.db2.gz XBOMHRHTTAPZQY-GOSISDBHSA-N 1 0 381.545 4.415 20 30 GIEDRO CCOc1ccc([C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000126920063 823980799 /nfs/dbraw/zinc/98/07/99/823980799.db2.gz UKOLABQBLHPGCE-REWPJTCUSA-N 1 0 382.504 4.376 20 30 GIEDRO Cc1oc(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c(C#N)c1C ZINC000126927679 823982748 /nfs/dbraw/zinc/98/27/48/823982748.db2.gz SCGNMEJYAFILPK-LJQANCHMSA-N 1 0 380.492 4.137 20 30 GIEDRO N#Cc1cccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414593541 824016746 /nfs/dbraw/zinc/01/67/46/824016746.db2.gz WHJTXDNVUSJYTK-UHFFFAOYSA-N 1 0 384.321 4.075 20 30 GIEDRO CC1(C#N)CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000575921205 824030219 /nfs/dbraw/zinc/03/02/19/824030219.db2.gz KXOQIGOCVZAFHG-UHFFFAOYSA-N 1 0 386.565 4.422 20 30 GIEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000575931872 824031588 /nfs/dbraw/zinc/03/15/88/824031588.db2.gz IMCBEKNOBLPFCQ-OAQYLSRUSA-N 1 0 385.515 4.465 20 30 GIEDRO C=CCOc1c(Br)cc(CNc2cccc(C[NH2+]C)c2)cc1OC ZINC000414860588 824043120 /nfs/dbraw/zinc/04/31/20/824043120.db2.gz DGFGXQSVDSOVCA-UHFFFAOYSA-N 1 0 391.309 4.354 20 30 GIEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 ZINC000414898718 824047582 /nfs/dbraw/zinc/04/75/82/824047582.db2.gz DUHIFLPDTZEOCT-WIYYLYMNSA-N 1 0 382.895 4.244 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1C[NH3+] ZINC000414898791 824047664 /nfs/dbraw/zinc/04/76/64/824047664.db2.gz FAQMTXNPQZDQOE-WRWLIDTKSA-N 1 0 396.922 4.444 20 30 GIEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000414902668 824048032 /nfs/dbraw/zinc/04/80/32/824048032.db2.gz KMMDNWPAQMGGFD-FQEVSTJZSA-N 1 0 396.922 4.459 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000414962465 824054227 /nfs/dbraw/zinc/05/42/27/824054227.db2.gz JSTRDYRQXATPPU-FZKQIMNGSA-N 1 0 384.867 4.205 20 30 GIEDRO C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CCO2 ZINC001164980236 722169760 /nfs/dbraw/zinc/16/97/60/722169760.db2.gz XJANFGUWAHRNDA-WPFOTENUSA-N 1 0 399.579 4.207 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120802401 823067084 /nfs/dbraw/zinc/06/70/84/823067084.db2.gz BJJFAGCHUGJGKT-TZIWHRDSSA-N 1 0 378.520 4.321 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187529706 823082653 /nfs/dbraw/zinc/08/26/53/823082653.db2.gz KHDZTSZJZFPRAY-UHFFFAOYSA-N 1 0 380.330 4.228 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000458805091 823088962 /nfs/dbraw/zinc/08/89/62/823088962.db2.gz TWWDCIQASKKLCY-ILWGZMRPSA-N 1 0 380.536 4.080 20 30 GIEDRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056216198 823105563 /nfs/dbraw/zinc/10/55/63/823105563.db2.gz FZIVSQULZBNAGO-SFHVURJKSA-N 1 0 376.504 4.026 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187797957 823135286 /nfs/dbraw/zinc/13/52/86/823135286.db2.gz ZTJVJKDDQDXYMI-UTKZUKDTSA-N 1 0 392.503 4.010 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000571182110 823145222 /nfs/dbraw/zinc/14/52/22/823145222.db2.gz JOEJWJFZCMKRGS-GOSISDBHSA-N 1 0 385.581 4.203 20 30 GIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ncc(Br)cn1 ZINC000571229664 823152190 /nfs/dbraw/zinc/15/21/90/823152190.db2.gz HQKSCQMBVNJSHO-ZCGYKAAXSA-N 1 0 385.309 4.294 20 30 GIEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000188083440 823183943 /nfs/dbraw/zinc/18/39/43/823183943.db2.gz UQPIDXAMQCULOH-GOSISDBHSA-N 1 0 377.488 4.046 20 30 GIEDRO C=CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000056727880 823201211 /nfs/dbraw/zinc/20/12/11/823201211.db2.gz MGJFEMALMZXYSP-UHFFFAOYSA-N 1 0 383.467 4.177 20 30 GIEDRO C=CC[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000188222276 823205668 /nfs/dbraw/zinc/20/56/68/823205668.db2.gz UMJSBQPABVKQSV-IFMALSPDSA-N 1 0 390.527 4.451 20 30 GIEDRO C[N@@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571599367 823205855 /nfs/dbraw/zinc/20/58/55/823205855.db2.gz XNVSVNIRVHLFFQ-KVSKMBFKSA-N 1 0 378.442 4.121 20 30 GIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)COc1ccccc1 ZINC000571614591 823209414 /nfs/dbraw/zinc/20/94/14/823209414.db2.gz UOIOHGPMVNFWDW-GOSISDBHSA-N 1 0 392.421 4.227 20 30 GIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)cc1 ZINC000459536112 823214536 /nfs/dbraw/zinc/21/45/36/823214536.db2.gz BBBCJDAFQIWKMM-UHFFFAOYSA-N 1 0 392.293 4.408 20 30 GIEDRO N#Cc1ccc(CN2CCCC3(CCC[N@H+](Cc4ccc(C#N)s4)C3)C2)s1 ZINC000571654890 823215281 /nfs/dbraw/zinc/21/52/81/823215281.db2.gz XXELDAIZCXGGFO-UHFFFAOYSA-N 1 0 396.585 4.431 20 30 GIEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000056845974 823222775 /nfs/dbraw/zinc/22/27/75/823222775.db2.gz HOLNYCWBOJCAFE-UHFFFAOYSA-N 1 0 395.522 4.496 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000056846301 823222861 /nfs/dbraw/zinc/22/28/61/823222861.db2.gz IAODCTUYDDHJKO-UHFFFAOYSA-N 1 0 395.547 4.433 20 30 GIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459649593 823238885 /nfs/dbraw/zinc/23/88/85/823238885.db2.gz MFRNNAWDBMDACM-LJQANCHMSA-N 1 0 399.453 4.441 20 30 GIEDRO CCN1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571862684 823247414 /nfs/dbraw/zinc/24/74/14/823247414.db2.gz HPJQFCZWYVEEHO-TZIWHRDSSA-N 1 0 376.397 4.020 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C2CC(C)(C)C2)c1C#N ZINC000459739512 823258889 /nfs/dbraw/zinc/25/88/89/823258889.db2.gz KQECAKSHCGHDHC-UHFFFAOYSA-N 1 0 382.508 4.067 20 30 GIEDRO C[NH+](C)CCN(Cc1ccsc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000459774198 823263209 /nfs/dbraw/zinc/26/32/09/823263209.db2.gz UMXAPGMDNCTLTR-UHFFFAOYSA-N 1 0 393.560 4.089 20 30 GIEDRO CC(C)C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000057393721 823289282 /nfs/dbraw/zinc/28/92/82/823289282.db2.gz CMMIOYQZDJWWSN-FQEVSTJZSA-N 1 0 398.576 4.480 20 30 GIEDRO N#Cc1cccc(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013443461 818212683 /nfs/dbraw/zinc/21/26/83/818212683.db2.gz HPLOYQYERAKCCS-UHFFFAOYSA-N 1 0 390.531 4.415 20 30 GIEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccccc2)cc1 ZINC000015244196 818302244 /nfs/dbraw/zinc/30/22/44/818302244.db2.gz JLAXHAHJJVSYDV-UHFFFAOYSA-O 1 0 376.505 4.091 20 30 GIEDRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000015247030 818302682 /nfs/dbraw/zinc/30/26/82/818302682.db2.gz MMCKKCZTVIPDGM-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000122316873 823336950 /nfs/dbraw/zinc/33/69/50/823336950.db2.gz CJAUZDRHJIRHBJ-VGSWGCGISA-N 1 0 377.488 4.153 20 30 GIEDRO CCc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517675 818517795 /nfs/dbraw/zinc/51/77/95/818517795.db2.gz XCMKQTSNOSMIMJ-UHFFFAOYSA-N 1 0 378.545 4.025 20 30 GIEDRO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000017517653 818517883 /nfs/dbraw/zinc/51/78/83/818517883.db2.gz WMNMKBIBZBRBPN-UHFFFAOYSA-N 1 0 378.545 4.080 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000572493341 823349101 /nfs/dbraw/zinc/34/91/01/823349101.db2.gz OGKOUISVRYSSOM-DNVCBOLYSA-N 1 0 386.565 4.323 20 30 GIEDRO CCCCCNC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177027237 823353024 /nfs/dbraw/zinc/35/30/24/823353024.db2.gz YTYMDNCKKBPSAS-UHFFFAOYSA-N 1 0 380.454 4.075 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)ccc1OC ZINC000057962135 823350869 /nfs/dbraw/zinc/35/08/69/823350869.db2.gz MEFPRSHKBHHWOI-UHFFFAOYSA-N 1 0 377.488 4.185 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)ccc1OC ZINC000057968317 823351264 /nfs/dbraw/zinc/35/12/64/823351264.db2.gz MYQHBEOTMYFOHT-UHFFFAOYSA-N 1 0 394.515 4.045 20 30 GIEDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCCCC2)cc1 ZINC000022344224 818794911 /nfs/dbraw/zinc/79/49/11/818794911.db2.gz MMWCRJPHVXOLDF-NRFANRHFSA-N 1 0 380.448 4.114 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1 ZINC000022791258 818861305 /nfs/dbraw/zinc/86/13/05/818861305.db2.gz NZFOOVLVUWJHMU-UHFFFAOYSA-O 1 0 389.544 4.308 20 30 GIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000410010274 823370578 /nfs/dbraw/zinc/37/05/78/823370578.db2.gz OKKNLVPOKNCEJL-UHFFFAOYSA-N 1 0 382.895 4.306 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)c(C)[nH]1 ZINC000023603392 818963350 /nfs/dbraw/zinc/96/33/50/818963350.db2.gz IAGFJBYAFAXAPQ-UHFFFAOYSA-O 1 0 386.447 4.248 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000023604901 818963937 /nfs/dbraw/zinc/96/39/37/818963937.db2.gz NCOMKDPZSVOTMJ-UHFFFAOYSA-O 1 0 384.569 4.321 20 30 GIEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1ccc(C#N)cc1 ZINC000410053906 823380993 /nfs/dbraw/zinc/38/09/93/823380993.db2.gz OOMXDGQZFYAMOB-QHCPKHFHSA-N 1 0 389.543 4.080 20 30 GIEDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000058397146 823385828 /nfs/dbraw/zinc/38/58/28/823385828.db2.gz QMBUSDONGGDVJW-UHFFFAOYSA-N 1 0 375.925 4.142 20 30 GIEDRO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000058453442 823393720 /nfs/dbraw/zinc/39/37/20/823393720.db2.gz WQVFQKPJPGYZGP-UHFFFAOYSA-N 1 0 384.483 4.370 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122695598 823396429 /nfs/dbraw/zinc/39/64/29/823396429.db2.gz WIVGBBIQJNUILN-HUUCEWRRSA-N 1 0 397.441 4.009 20 30 GIEDRO C=CCCCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000572928342 823421420 /nfs/dbraw/zinc/42/14/20/823421420.db2.gz VIIIWKCNLYQMIL-UHFFFAOYSA-N 1 0 379.342 4.228 20 30 GIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000122863839 823425551 /nfs/dbraw/zinc/42/55/51/823425551.db2.gz VFYQOUWLEIACOP-FQEVSTJZSA-N 1 0 377.488 4.220 20 30 GIEDRO Cc1cc(N2CC[NH+](Cc3cccs3)CC2)n2c3ccccc3nc2c1C#N ZINC000024949922 819899295 /nfs/dbraw/zinc/89/92/95/819899295.db2.gz ROSOLFOJCNEMRG-UHFFFAOYSA-N 1 0 387.512 4.051 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccsc1 ZINC000025332173 819964470 /nfs/dbraw/zinc/96/44/70/819964470.db2.gz OAIVSGMTHGMCGS-NRFANRHFSA-N 1 0 375.497 4.319 20 30 GIEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c(C)c1 ZINC000026644713 820127895 /nfs/dbraw/zinc/12/78/95/820127895.db2.gz YAUBOVCXPQIEOH-UHFFFAOYSA-N 1 0 389.499 4.099 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000573170850 823459492 /nfs/dbraw/zinc/45/94/92/823459492.db2.gz ODDQDBKLQBJREW-YLJYHZDGSA-N 1 0 382.305 4.177 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(CC)CC)cc1 ZINC000027055383 820186508 /nfs/dbraw/zinc/18/65/08/820186508.db2.gz RBFGNTGOZFTFNQ-UHFFFAOYSA-O 1 0 397.564 4.361 20 30 GIEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000177430716 823460562 /nfs/dbraw/zinc/46/05/62/823460562.db2.gz SXWBYVKJHKZZHG-UHFFFAOYSA-N 1 0 389.499 4.487 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(C)cc2)c1 ZINC000027161652 820203428 /nfs/dbraw/zinc/20/34/28/820203428.db2.gz PIWGEEWIEPFJPH-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(CCC)cc1 ZINC000027311595 820223599 /nfs/dbraw/zinc/22/35/99/820223599.db2.gz ORDHORNJADOZJQ-UHFFFAOYSA-O 1 0 383.537 4.040 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027311504 820223816 /nfs/dbraw/zinc/22/38/16/820223816.db2.gz NKJCONNECJBINE-UHFFFAOYSA-O 1 0 397.564 4.385 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000189729446 823483156 /nfs/dbraw/zinc/48/31/56/823483156.db2.gz YZEQKWQAMUGQBF-UHFFFAOYSA-N 1 0 396.453 4.065 20 30 GIEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000029527712 820468871 /nfs/dbraw/zinc/46/88/71/820468871.db2.gz IDHOOTJBYHWKAE-UHFFFAOYSA-N 1 0 378.476 4.143 20 30 GIEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000177553791 823489549 /nfs/dbraw/zinc/48/95/49/823489549.db2.gz JWYIZACEDCJICH-VQTJNVASSA-N 1 0 393.556 4.453 20 30 GIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3COCc3ccccc3)n2c1 ZINC000123290663 823491491 /nfs/dbraw/zinc/49/14/91/823491491.db2.gz YYVDYIDQUJSZAG-UHFFFAOYSA-N 1 0 382.467 4.213 20 30 GIEDRO C=CCC[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000123340617 823498585 /nfs/dbraw/zinc/49/85/85/823498585.db2.gz UMPRFOYGFYBYMI-DEOSSOPVSA-N 1 0 392.543 4.328 20 30 GIEDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)ccn2)cc1 ZINC000123375318 823502908 /nfs/dbraw/zinc/50/29/08/823502908.db2.gz KTSPQERFZSVYTF-UHFFFAOYSA-N 1 0 399.454 4.082 20 30 GIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460795062 823514405 /nfs/dbraw/zinc/51/44/05/823514405.db2.gz RJNBCTDXVQKPIW-WOJBJXKFSA-N 1 0 397.567 4.051 20 30 GIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633632 821316819 /nfs/dbraw/zinc/31/68/19/821316819.db2.gz LTWAPDMHQLSFNY-KRWDZBQOSA-N 1 0 395.478 4.046 20 30 GIEDRO C[NH+](C)C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCCC1 ZINC000042765709 821332086 /nfs/dbraw/zinc/33/20/86/821332086.db2.gz NHXMCYNWHPCEQG-UHFFFAOYSA-N 1 0 379.529 4.314 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043135926 821366176 /nfs/dbraw/zinc/36/61/76/821366176.db2.gz CQEFMBDSLVBMKM-OAQYLSRUSA-N 1 0 394.519 4.300 20 30 GIEDRO Cc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000043150526 821369296 /nfs/dbraw/zinc/36/92/96/821369296.db2.gz FWQOLNJSCGDRBU-UHFFFAOYSA-N 1 0 376.504 4.223 20 30 GIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000043182615 821375509 /nfs/dbraw/zinc/37/55/09/821375509.db2.gz ZZQCBUKYAPJGQL-KRWDZBQOSA-N 1 0 396.922 4.190 20 30 GIEDRO CSc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043318849 821391631 /nfs/dbraw/zinc/39/16/31/821391631.db2.gz LDLCSSJWTJIVKR-UHFFFAOYSA-N 1 0 380.517 4.020 20 30 GIEDRO CCc1cccc(CC)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043340642 821395242 /nfs/dbraw/zinc/39/52/42/821395242.db2.gz FOTLMQJIYGVSMC-UHFFFAOYSA-N 1 0 390.531 4.423 20 30 GIEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000180702293 821404301 /nfs/dbraw/zinc/40/43/01/821404301.db2.gz JTXLCNHQVUFHRF-IBGZPJMESA-N 1 0 379.504 4.300 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)ccc1OC ZINC000180811640 821472766 /nfs/dbraw/zinc/47/27/66/821472766.db2.gz ZQDHFPQYXYWFSI-RDJZCZTQSA-N 1 0 384.476 4.244 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813035 821473689 /nfs/dbraw/zinc/47/36/89/821473689.db2.gz SHXGEAKUAXLARY-LAUBAEHRSA-N 1 0 390.487 4.413 20 30 GIEDRO CSc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043857180 821474263 /nfs/dbraw/zinc/47/42/63/821474263.db2.gz PCYGZIIABGOWAA-UHFFFAOYSA-N 1 0 380.517 4.020 20 30 GIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1)c1ccc2c(c1)OCCO2 ZINC000180814492 821475178 /nfs/dbraw/zinc/47/51/78/821475178.db2.gz KMGUWGFLYDVCPM-RBUKOAKNSA-N 1 0 396.487 4.388 20 30 GIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1-n1cccn1 ZINC000181229582 821707828 /nfs/dbraw/zinc/70/78/28/821707828.db2.gz DZYNJIBNTZOQHB-CQSZACIVSA-N 1 0 381.277 4.357 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(-n2cccn2)c1 ZINC000181229729 821707919 /nfs/dbraw/zinc/70/79/19/821707919.db2.gz AIOGIVOOIYCKBT-AWEZNQCLSA-N 1 0 381.277 4.357 20 30 GIEDRO C[C@H](OCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181420332 821817413 /nfs/dbraw/zinc/81/74/13/821817413.db2.gz BYOHGXZVHVWVDZ-FQEVSTJZSA-N 1 0 377.532 4.280 20 30 GIEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573023 821885214 /nfs/dbraw/zinc/88/52/14/821885214.db2.gz DJAVWYLOVRIEDP-LPHOPBHVSA-N 1 0 381.476 4.056 20 30 GIEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000181574344 821885807 /nfs/dbraw/zinc/88/58/07/821885807.db2.gz JOEBTLLIRNUDMF-VQIMIIECSA-N 1 0 381.476 4.056 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC000181586801 821891048 /nfs/dbraw/zinc/89/10/48/821891048.db2.gz PBIACMIBDSMPAO-RUZDIDTESA-N 1 0 382.511 4.297 20 30 GIEDRO COc1ccc([C@@H](C)CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181813437 822003575 /nfs/dbraw/zinc/00/35/75/822003575.db2.gz IUJMPCNYOKFINO-IBGZPJMESA-N 1 0 377.532 4.315 20 30 GIEDRO CC(C)C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872860 822022516 /nfs/dbraw/zinc/02/25/16/822022516.db2.gz MVSNGMBGDRKVRQ-MJGOQNOKSA-N 1 0 381.442 4.191 20 30 GIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181967036 822047997 /nfs/dbraw/zinc/04/79/97/822047997.db2.gz PFRZHNKPKXHXBD-PKOBYXMFSA-N 1 0 381.442 4.191 20 30 GIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000182004636 822059645 /nfs/dbraw/zinc/05/96/45/822059645.db2.gz SGZRBMACRREUMZ-QGZVFWFLSA-N 1 0 378.476 4.090 20 30 GIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182014321 822063347 /nfs/dbraw/zinc/06/33/47/822063347.db2.gz DUNLHWBIWOZIHL-HXOBKFHXSA-N 1 0 397.494 4.110 20 30 GIEDRO CCCOc1cccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182041136 822070958 /nfs/dbraw/zinc/07/09/58/822070958.db2.gz ZMWCTXGQRULYKH-UHFFFAOYSA-N 1 0 377.532 4.144 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000182519456 822279636 /nfs/dbraw/zinc/27/96/36/822279636.db2.gz YFVPSGIXZOGTLU-RYUDHWBXSA-N 1 0 395.381 4.345 20 30 GIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000182552133 822298327 /nfs/dbraw/zinc/29/83/27/822298327.db2.gz HSFGYEXPZYJNGP-CQSZACIVSA-N 1 0 376.378 4.246 20 30 GIEDRO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000453473042 822372728 /nfs/dbraw/zinc/37/27/28/822372728.db2.gz ZFEXLPPHBGPPIV-ICSRJNTNSA-N 1 0 389.588 4.043 20 30 GIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1C ZINC000178550400 822390910 /nfs/dbraw/zinc/39/09/10/822390910.db2.gz JZOMQADVQNJSCV-HXUWFJFHSA-N 1 0 376.504 4.243 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683047 822402791 /nfs/dbraw/zinc/40/27/91/822402791.db2.gz OCGIZUNZLDZNRN-JKSUJKDBSA-N 1 0 398.438 4.028 20 30 GIEDRO C=CCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178895967 822420142 /nfs/dbraw/zinc/42/01/42/822420142.db2.gz ANVJRBOVDXVGHU-JOCHJYFZSA-N 1 0 378.520 4.053 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179105648 822438614 /nfs/dbraw/zinc/43/86/14/822438614.db2.gz ZGWWZQORHSLEOR-JTSKRJEESA-N 1 0 377.488 4.071 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000454269810 822447219 /nfs/dbraw/zinc/44/72/19/822447219.db2.gz DSKLWQJRZVAFKU-FQEVSTJZSA-N 1 0 379.504 4.063 20 30 GIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncc(C(C)(C)C)o1 ZINC000046212845 822450698 /nfs/dbraw/zinc/45/06/98/822450698.db2.gz UPWZCLZCXHDJLE-UHFFFAOYSA-N 1 0 389.569 4.070 20 30 GIEDRO N#Cc1c[nH]c(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000454359928 822461782 /nfs/dbraw/zinc/46/17/82/822461782.db2.gz MVDUCKWARHXUKQ-QHCPKHFHSA-N 1 0 390.531 4.183 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000454392376 822467862 /nfs/dbraw/zinc/46/78/62/822467862.db2.gz VJKBIDPNHZVKSI-JOCHJYFZSA-N 1 0 375.516 4.080 20 30 GIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183398595 822468286 /nfs/dbraw/zinc/46/82/86/822468286.db2.gz CBSQDHOGKQWXJP-UWJYYQICSA-N 1 0 393.556 4.488 20 30 GIEDRO Cc1c(C#N)cccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179406336 822478248 /nfs/dbraw/zinc/47/82/48/822478248.db2.gz GFZJRYGYJJAIMC-UHFFFAOYSA-N 1 0 377.492 4.032 20 30 GIEDRO Cc1nc(C(F)(F)F)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000183561986 822495085 /nfs/dbraw/zinc/49/50/85/822495085.db2.gz AUXCULXTOWCUNH-UHFFFAOYSA-N 1 0 394.466 4.050 20 30 GIEDRO O=C1CCCN1C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000179557167 822503267 /nfs/dbraw/zinc/50/32/67/822503267.db2.gz UPXZXQTWOVVBBA-HXUWFJFHSA-N 1 0 386.417 4.010 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000179592202 822508667 /nfs/dbraw/zinc/50/86/67/822508667.db2.gz HBCBOCHLHDQIIP-CVEARBPZSA-N 1 0 387.430 4.274 20 30 GIEDRO Cc1ccccc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179680594 822525993 /nfs/dbraw/zinc/52/59/93/822525993.db2.gz DFQMRXVNXNQBEV-UHFFFAOYSA-N 1 0 385.515 4.094 20 30 GIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686527 822527210 /nfs/dbraw/zinc/52/72/10/822527210.db2.gz UWSBWNGJVSJUBA-AOMKIAJQSA-N 1 0 395.478 4.210 20 30 GIEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000183821543 822532103 /nfs/dbraw/zinc/53/21/03/822532103.db2.gz BECXNIDFIGLPAI-GJZGRUSLSA-N 1 0 399.516 4.058 20 30 GIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179723932 822535522 /nfs/dbraw/zinc/53/55/22/822535522.db2.gz SMMQOCQTNSKTJX-WBMJQRKESA-N 1 0 391.418 4.437 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000047011265 822537638 /nfs/dbraw/zinc/53/76/38/822537638.db2.gz ZGRVBOCQARQPMT-UHFFFAOYSA-N 1 0 381.863 4.162 20 30 GIEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000047140404 822547827 /nfs/dbraw/zinc/54/78/27/822547827.db2.gz NDLNBMDLJHOURR-UHFFFAOYSA-N 1 0 379.529 4.066 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000454870572 822549215 /nfs/dbraw/zinc/54/92/15/822549215.db2.gz UYHQDSUBLIUYAU-UHFFFAOYSA-N 1 0 393.506 4.047 20 30 GIEDRO Cn1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179889400 822572144 /nfs/dbraw/zinc/57/21/44/822572144.db2.gz XWLUGOWGLRNMKA-HXUWFJFHSA-N 1 0 392.528 4.201 20 30 GIEDRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179977762 822589197 /nfs/dbraw/zinc/58/91/97/822589197.db2.gz DEDNABSTYMOAGV-HSZRJFAPSA-N 1 0 386.499 4.140 20 30 GIEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180027157 822599814 /nfs/dbraw/zinc/59/98/14/822599814.db2.gz ZAZXTDOHGSPBFD-HSZRJFAPSA-N 1 0 387.531 4.131 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccsc1 ZINC000180043852 822603201 /nfs/dbraw/zinc/60/32/01/822603201.db2.gz CGVPFGKTBHUSHT-MAUKXSAKSA-N 1 0 386.521 4.244 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccsc1 ZINC000180043835 822603342 /nfs/dbraw/zinc/60/33/42/822603342.db2.gz CGVPFGKTBHUSHT-YJBOKZPZSA-N 1 0 386.521 4.244 20 30 GIEDRO C=CCC[C@@H](NCc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000180050137 822604432 /nfs/dbraw/zinc/60/44/32/822604432.db2.gz XSMLWCCHORCOQL-GOSISDBHSA-N 1 0 385.418 4.061 20 30 GIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180055642 822605416 /nfs/dbraw/zinc/60/54/16/822605416.db2.gz DRMKVNCSKDJTGI-KRWDZBQOSA-N 1 0 380.492 4.093 20 30 GIEDRO N#CCCn1cc(C[NH2+]CCCNc2cccc(F)c2)c(-c2ccccc2)n1 ZINC000184287383 822609031 /nfs/dbraw/zinc/60/90/31/822609031.db2.gz RPZFWYVOELVVDU-UHFFFAOYSA-N 1 0 377.467 4.195 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000184320844 822614440 /nfs/dbraw/zinc/61/44/40/822614440.db2.gz HDCUIEGZHSEWAT-LMDPOFIKSA-N 1 0 384.524 4.142 20 30 GIEDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180126422 822620896 /nfs/dbraw/zinc/62/08/96/822620896.db2.gz WNKYLQAPNMTBLY-URXFXBBRSA-N 1 0 386.499 4.216 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000184355012 822621088 /nfs/dbraw/zinc/62/10/88/822621088.db2.gz NZJXTMRPPQSJMO-INIZCTEOSA-N 1 0 398.532 4.073 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c1C#N ZINC000048008928 822624981 /nfs/dbraw/zinc/62/49/81/822624981.db2.gz ZBAGSBLRKMXKAB-UHFFFAOYSA-N 1 0 394.519 4.354 20 30 GIEDRO Cn1cc(C[NH2+]CCCc2nc3c(s2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180162350 822630023 /nfs/dbraw/zinc/63/00/23/822630023.db2.gz CKCZNGYUAUWQLH-UHFFFAOYSA-N 1 0 391.544 4.016 20 30 GIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000180257809 822649591 /nfs/dbraw/zinc/64/95/91/822649591.db2.gz YSNBMQHZGXMELJ-PMACEKPBSA-N 1 0 392.528 4.108 20 30 GIEDRO Cn1cc(C[NH2+]CCc2csc(C(C)(C)C)n2)c(-c2ccc(C#N)cc2)n1 ZINC000180352003 822668361 /nfs/dbraw/zinc/66/83/61/822668361.db2.gz IPJMTHHXGUYGGE-UHFFFAOYSA-N 1 0 379.533 4.045 20 30 GIEDRO Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000180438468 822682169 /nfs/dbraw/zinc/68/21/69/822682169.db2.gz HQCOBZAJGPZZPC-UHFFFAOYSA-N 1 0 389.499 4.277 20 30 GIEDRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000048828061 822684963 /nfs/dbraw/zinc/68/49/63/822684963.db2.gz IOZLEJBWCKCSDM-MOPGFXCFSA-N 1 0 390.531 4.351 20 30 GIEDRO COc1cccc2[nH]cc(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)c21 ZINC000180456242 822685741 /nfs/dbraw/zinc/68/57/41/822685741.db2.gz YZBXATAAADLABJ-UHFFFAOYSA-N 1 0 399.498 4.286 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455747459 822719054 /nfs/dbraw/zinc/71/90/54/822719054.db2.gz IJIAZURJOWPHAZ-UHFFFAOYSA-N 1 0 384.293 4.059 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000455777264 822724775 /nfs/dbraw/zinc/72/47/75/822724775.db2.gz GBSGDXYOWITUTL-QAPCUYQASA-N 1 0 397.910 4.123 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455897934 822744483 /nfs/dbraw/zinc/74/44/83/822744483.db2.gz DXYOWZKMWCNQBT-QFIPXVFZSA-N 1 0 379.504 4.464 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455914324 822748161 /nfs/dbraw/zinc/74/81/61/822748161.db2.gz GCOYJTNOFHOKGJ-GOSISDBHSA-N 1 0 376.504 4.449 20 30 GIEDRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCCCC1 ZINC000455914533 822748340 /nfs/dbraw/zinc/74/83/40/822748340.db2.gz GOXDFAJAPJJYAD-NRFANRHFSA-N 1 0 392.503 4.110 20 30 GIEDRO C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000456001145 822764806 /nfs/dbraw/zinc/76/48/06/822764806.db2.gz UPSNJFAMDLRCAT-AUSIDOKSSA-N 1 0 389.543 4.154 20 30 GIEDRO C=CCc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc(OC)c1OC ZINC000456251670 822790215 /nfs/dbraw/zinc/79/02/15/822790215.db2.gz AEBKGWRNMNYSHV-FQEVSTJZSA-N 1 0 380.488 4.234 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000174468773 822794365 /nfs/dbraw/zinc/79/43/65/822794365.db2.gz ARPOVJLWZCKDNY-HXUWFJFHSA-N 1 0 397.906 4.308 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185568096 822797359 /nfs/dbraw/zinc/79/73/59/822797359.db2.gz WRLKISXWGRYJRJ-RYRKJORJSA-N 1 0 395.528 4.174 20 30 GIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(C#N)cc2)[n+]2ccccc2)cc1F ZINC000185575724 822798253 /nfs/dbraw/zinc/79/82/53/822798253.db2.gz MITGUPURMBERKY-UHFFFAOYSA-O 1 0 390.463 4.344 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NC2CCCCC2)c1 ZINC000185579034 822798543 /nfs/dbraw/zinc/79/85/43/822798543.db2.gz SFVXPVHKIYUHNX-UHFFFAOYSA-O 1 0 378.521 4.015 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000185579955 822798737 /nfs/dbraw/zinc/79/87/37/822798737.db2.gz IBLDTIGTISYXQQ-FXAWDEMLSA-O 1 0 392.548 4.261 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)Nc2ccccc2C#N)c1 ZINC000185580863 822798739 /nfs/dbraw/zinc/79/87/39/822798739.db2.gz OQTVBXRWKJFPEC-UHFFFAOYSA-O 1 0 397.483 4.077 20 30 GIEDRO C[C@H](NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1)c1ccccc1 ZINC000185580636 822798769 /nfs/dbraw/zinc/79/87/69/822798769.db2.gz YQNYEOSFBSKJOD-KRWDZBQOSA-O 1 0 386.500 4.135 20 30 GIEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000174551842 822804134 /nfs/dbraw/zinc/80/41/34/822804134.db2.gz UNKWJMJGYLBKCQ-XMMPIXPASA-N 1 0 399.494 4.322 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000174564840 822805566 /nfs/dbraw/zinc/80/55/66/822805566.db2.gz MIVBODOQIGYDPS-POAQFYNOSA-N 1 0 387.524 4.151 20 30 GIEDRO COc1ccc(O[C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000174604480 822811191 /nfs/dbraw/zinc/81/11/91/822811191.db2.gz QHUXAUXMQAOVOF-GOSISDBHSA-N 1 0 390.487 4.029 20 30 GIEDRO C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720487 822814262 /nfs/dbraw/zinc/81/42/62/822814262.db2.gz GTZBUOFMEKBQOA-ROUUACIJSA-N 1 0 387.593 4.146 20 30 GIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119158 822855178 /nfs/dbraw/zinc/85/51/78/822855178.db2.gz QXAHOZJZNYTQBZ-GOSISDBHSA-N 1 0 389.971 4.055 20 30 GIEDRO C=C[C@@H](CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186269108 822867534 /nfs/dbraw/zinc/86/75/34/822867534.db2.gz REHWVCLFNJVJQX-SFHVURJKSA-N 1 0 379.504 4.184 20 30 GIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000186297266 822872773 /nfs/dbraw/zinc/87/27/73/822872773.db2.gz YWEAYIUCPHRNOX-UHFFFAOYSA-N 1 0 387.527 4.270 20 30 GIEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340259 822876901 /nfs/dbraw/zinc/87/69/01/822876901.db2.gz QEZRZKXUZWGWFG-KRWDZBQOSA-N 1 0 381.545 4.322 20 30 GIEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340535 822877133 /nfs/dbraw/zinc/87/71/33/822877133.db2.gz OVOGOBQMDMHZMS-CQSZACIVSA-N 1 0 375.925 4.315 20 30 GIEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1 ZINC000457480785 822879635 /nfs/dbraw/zinc/87/96/35/822879635.db2.gz NMDCKXNAVQTYOZ-SFTDATJTSA-N 1 0 382.483 4.163 20 30 GIEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000457548605 822889226 /nfs/dbraw/zinc/88/92/26/822889226.db2.gz KAMKYNPICXQLJX-FPOVZHCZSA-N 1 0 390.955 4.040 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC(C)(C)CC#N)cc1 ZINC000457613334 822897197 /nfs/dbraw/zinc/89/71/97/822897197.db2.gz MZQXYUCBGPFFTO-UHFFFAOYSA-N 1 0 378.520 4.154 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055012825 822930946 /nfs/dbraw/zinc/93/09/46/822930946.db2.gz SFHFLDPMWIGOFQ-UHFFFAOYSA-O 1 0 398.596 4.177 20 30 GIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000175381380 822952987 /nfs/dbraw/zinc/95/29/87/822952987.db2.gz ZUHCZVLDBLRRQG-SQGPQFPESA-O 1 0 397.539 4.447 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1C)[n+]1ccc(C)cc1 ZINC000186953706 822986119 /nfs/dbraw/zinc/98/61/19/822986119.db2.gz BKYLXVCHBZMXII-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1F)[n+]1cccc(C)c1 ZINC000186954069 822986180 /nfs/dbraw/zinc/98/61/80/822986180.db2.gz NKUTVOQPEVPAJV-UHFFFAOYSA-O 1 0 384.456 4.077 20 30 GIEDRO CCOc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)cc1 ZINC000186957761 822986926 /nfs/dbraw/zinc/98/69/26/822986926.db2.gz BALOJLYVSLJENN-UHFFFAOYSA-O 1 0 396.492 4.029 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1ccccc1)[n+]1cccc(C)c1 ZINC000186963523 822988375 /nfs/dbraw/zinc/98/83/75/822988375.db2.gz VVBPCJWKTXZSIW-HNNXBMFYSA-O 1 0 394.520 4.177 20 30 GIEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 ZINC000186977051 822991047 /nfs/dbraw/zinc/99/10/47/822991047.db2.gz SKRUTVJRKBFJMV-UHFFFAOYSA-O 1 0 398.596 4.374 20 30 GIEDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175570138 822999769 /nfs/dbraw/zinc/99/97/69/822999769.db2.gz BEOZROXGYCMXJF-UHFFFAOYSA-N 1 0 379.529 4.123 20 30 GIEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(Br)cc2C#N)CC1 ZINC000570068538 823002779 /nfs/dbraw/zinc/00/27/79/823002779.db2.gz CLZLHYCMBAGSSG-UHFFFAOYSA-N 1 0 393.325 4.265 20 30 GIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000570369539 823030261 /nfs/dbraw/zinc/03/02/61/823030261.db2.gz RSWVSAAPPBEFLE-GOSISDBHSA-N 1 0 398.304 4.235 20 30 GIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1 ZINC000570399844 823032964 /nfs/dbraw/zinc/03/29/64/823032964.db2.gz MVJVOUFIBMSILQ-MRXNPFEDSA-N 1 0 382.489 4.181 20 30 GIEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000570437390 823038236 /nfs/dbraw/zinc/03/82/36/823038236.db2.gz VNTJWCJMYUKWPB-WMZHIEFXSA-N 1 0 375.516 4.196 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000570471717 823042492 /nfs/dbraw/zinc/04/24/92/823042492.db2.gz GCTAYIZMVZAHDQ-VWNXMTODSA-N 1 0 390.458 4.011 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000177907820 823544814 /nfs/dbraw/zinc/54/48/14/823544814.db2.gz HCQDULOEGJGPPS-IBGZPJMESA-N 1 0 381.358 4.157 20 30 GIEDRO Cc1ccc2c(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)coc2c1C ZINC000060722714 823554070 /nfs/dbraw/zinc/55/40/70/823554070.db2.gz DEQZYRZRDOWTPL-UHFFFAOYSA-N 1 0 389.499 4.054 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1OC ZINC000060949158 823568793 /nfs/dbraw/zinc/56/87/93/823568793.db2.gz UTQVYFLVTZNEEA-IBGZPJMESA-N 1 0 384.495 4.405 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124199263 823576687 /nfs/dbraw/zinc/57/66/87/823576687.db2.gz RZDYNZFWROOLLA-OWCLPIDISA-N 1 0 397.441 4.041 20 30 GIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411459415 823577184 /nfs/dbraw/zinc/57/71/84/823577184.db2.gz MYQIEQVZHPXAPZ-AWEZNQCLSA-N 1 0 383.517 4.105 20 30 GIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 ZINC000411458929 823577190 /nfs/dbraw/zinc/57/71/90/823577190.db2.gz RKKNGGPPAHBDQO-HNAYVOBHSA-N 1 0 397.544 4.050 20 30 GIEDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000411471532 823578767 /nfs/dbraw/zinc/57/87/67/823578767.db2.gz FIYOUUZKMZANSL-ZDUSSCGKSA-N 1 0 386.839 4.108 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC000190495625 823580963 /nfs/dbraw/zinc/58/09/63/823580963.db2.gz KMQAOVBWKUCGEB-UHFFFAOYSA-N 1 0 395.503 4.046 20 30 GIEDRO CC(C)COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000411511180 823582670 /nfs/dbraw/zinc/58/26/70/823582670.db2.gz IAXJTSWZGLAROH-GOSISDBHSA-N 1 0 389.883 4.137 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000190604256 823590560 /nfs/dbraw/zinc/59/05/60/823590560.db2.gz KQGNWMMWRRPTGS-KUHUBIRLSA-N 1 0 387.405 4.029 20 30 GIEDRO COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606239 823590786 /nfs/dbraw/zinc/59/07/86/823590786.db2.gz VBROHRVGZPWOBR-MZNJEOGPSA-N 1 0 399.494 4.172 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1C(F)(F)F ZINC000190613280 823591743 /nfs/dbraw/zinc/59/17/43/823591743.db2.gz LSOGZHXBYUNNFW-LIRRHRJNSA-N 1 0 387.405 4.029 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793044 823614858 /nfs/dbraw/zinc/61/48/58/823614858.db2.gz KOWKTZANRCHKPI-UHFFFAOYSA-N 1 0 395.572 4.498 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000411988199 823618457 /nfs/dbraw/zinc/61/84/57/823618457.db2.gz RTOJTUOOXNXKQR-GOSISDBHSA-N 1 0 388.508 4.070 20 30 GIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)c(C(F)(F)F)c2)n1 ZINC000190873747 823618504 /nfs/dbraw/zinc/61/85/04/823618504.db2.gz GHZATQDMGOZIFH-UHFFFAOYSA-N 1 0 387.409 4.008 20 30 GIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000062256738 823626770 /nfs/dbraw/zinc/62/67/70/823626770.db2.gz MGXFIVDBYPSLJP-UHFFFAOYSA-N 1 0 390.277 4.075 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000062369352 823630042 /nfs/dbraw/zinc/63/00/42/823630042.db2.gz AFFYCGZNZKDKDQ-UHFFFAOYSA-N 1 0 390.409 4.173 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000062372441 823630201 /nfs/dbraw/zinc/63/02/01/823630201.db2.gz HOKSXNJELIVXDF-UHFFFAOYSA-N 1 0 391.302 4.461 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000062410341 823633901 /nfs/dbraw/zinc/63/39/01/823633901.db2.gz UVLFBWIWFHFJEW-UHFFFAOYSA-N 1 0 389.446 4.125 20 30 GIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000062887736 823647174 /nfs/dbraw/zinc/64/71/74/823647174.db2.gz MTMDXSDAJQVYEN-UHFFFAOYSA-N 1 0 379.460 4.019 20 30 GIEDRO COc1ccc(C[NH+]2CCC(CNc3snc(Cl)c3C#N)CC2)cc1 ZINC000063282499 823659477 /nfs/dbraw/zinc/65/94/77/823659477.db2.gz VHIFADAUDJGUAV-UHFFFAOYSA-N 1 0 376.913 4.001 20 30 GIEDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000191317631 823671031 /nfs/dbraw/zinc/67/10/31/823671031.db2.gz MZUIXDPXONRBBU-UHFFFAOYSA-N 1 0 380.492 4.465 20 30 GIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1OC ZINC000191391863 823679772 /nfs/dbraw/zinc/67/97/72/823679772.db2.gz HAEJOQGMNAORIO-KFKAGJAMSA-N 1 0 389.565 4.060 20 30 GIEDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000163354629 823703537 /nfs/dbraw/zinc/70/35/37/823703537.db2.gz NBWGQFYOLGDQFX-FQEVSTJZSA-N 1 0 384.911 4.277 20 30 GIEDRO CC1([C@@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OCCO1 ZINC000191611125 823712281 /nfs/dbraw/zinc/71/22/81/823712281.db2.gz GWKBIUOMDYBUCC-HSZRJFAPSA-N 1 0 390.527 4.361 20 30 GIEDRO COc1ccc(CCC[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125886586 823737727 /nfs/dbraw/zinc/73/77/27/823737727.db2.gz IHWKEWFBKFFKQK-UHFFFAOYSA-N 1 0 389.499 4.311 20 30 GIEDRO C=C[C@H](CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000574470341 823738849 /nfs/dbraw/zinc/73/88/49/823738849.db2.gz IBWQUTRDJBGKRV-HXUWFJFHSA-N 1 0 378.516 4.136 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000574488495 823745459 /nfs/dbraw/zinc/74/54/59/823745459.db2.gz YPTYQZKQFFQEOP-DEOSSOPVSA-N 1 0 391.563 4.224 20 30 GIEDRO C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461906417 823748796 /nfs/dbraw/zinc/74/87/96/823748796.db2.gz GZJWXRAREWQWKY-KKSFZXQISA-N 1 0 381.907 4.268 20 30 GIEDRO C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000461910592 823750453 /nfs/dbraw/zinc/75/04/53/823750453.db2.gz NWWXLONLXAEUHQ-AQNXPRMDSA-N 1 0 389.543 4.456 20 30 GIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506606 823750983 /nfs/dbraw/zinc/75/09/83/823750983.db2.gz PHNWUQCSOPRDSH-MAODMQOUSA-N 1 0 397.906 4.091 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1OCCCC#N ZINC000574562702 823767518 /nfs/dbraw/zinc/76/75/18/823767518.db2.gz CNPSAAACARBCRA-DEOSSOPVSA-N 1 0 392.499 4.347 20 30 GIEDRO N#Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC000413591990 823801943 /nfs/dbraw/zinc/80/19/43/823801943.db2.gz VTIMNPSZZROWAS-UHFFFAOYSA-N 1 0 389.421 4.016 20 30 GIEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000462120686 823834989 /nfs/dbraw/zinc/83/49/89/823834989.db2.gz KPKLVJGHWYBXNT-HXUWFJFHSA-N 1 0 383.536 4.276 20 30 GIEDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000462122509 823836089 /nfs/dbraw/zinc/83/60/89/823836089.db2.gz KQXVGOWOLNQVSC-SELNLUPBSA-N 1 0 375.516 4.173 20 30 GIEDRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000192131377 823871559 /nfs/dbraw/zinc/87/15/59/823871559.db2.gz HPYVTAKLZUDQEI-OALUTQOASA-N 1 0 381.344 4.455 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000064742360 823877978 /nfs/dbraw/zinc/87/79/78/823877978.db2.gz RPMDVUFKHBRISH-UHFFFAOYSA-N 1 0 392.503 4.265 20 30 GIEDRO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(OC)c1 ZINC000575021128 823889924 /nfs/dbraw/zinc/88/99/24/823889924.db2.gz QUWZYIFITYSIBY-QHCPKHFHSA-N 1 0 380.488 4.064 20 30 GIEDRO C[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000462246243 823895235 /nfs/dbraw/zinc/89/52/35/823895235.db2.gz KSNSCGAVLAMJIX-SFHVURJKSA-N 1 0 377.488 4.165 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792615 823895735 /nfs/dbraw/zinc/89/57/35/823895735.db2.gz XNAIBURQUQDVEG-ROUUACIJSA-N 1 0 396.506 4.211 20 30 GIEDRO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000462309691 823919925 /nfs/dbraw/zinc/91/99/25/823919925.db2.gz DBYXGLMJWDQAQO-LJQANCHMSA-N 1 0 390.531 4.139 20 30 GIEDRO Cc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414161005 823921238 /nfs/dbraw/zinc/92/12/38/823921238.db2.gz DVHHMEOIQUKKEV-OAQYLSRUSA-N 1 0 384.545 4.326 20 30 GIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000170627408 823921396 /nfs/dbraw/zinc/92/13/96/823921396.db2.gz XSHABSKFNFTKHE-UHFFFAOYSA-N 1 0 387.483 4.468 20 30 GIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414349559 823962912 /nfs/dbraw/zinc/96/29/12/823962912.db2.gz KGMMSGXEZBUMIK-DNVCBOLYSA-N 1 0 376.342 4.085 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000126994260 823996785 /nfs/dbraw/zinc/99/67/85/823996785.db2.gz XQGMILVFAORWIE-GOSISDBHSA-N 1 0 378.476 4.074 20 30 GIEDRO N#Cc1cc(Oc2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)cc2)ccn1 ZINC000575841554 824009758 /nfs/dbraw/zinc/00/97/58/824009758.db2.gz BGNHHBAHYABVQZ-UHFFFAOYSA-N 1 0 393.491 4.179 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000127071107 824011057 /nfs/dbraw/zinc/01/10/57/824011057.db2.gz JMRVWULDTSYYEX-LPHOPBHVSA-N 1 0 376.928 4.260 20 30 GIEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903043 824048048 /nfs/dbraw/zinc/04/80/48/824048048.db2.gz KYUVMHYWZQLHIL-MJGOQNOKSA-N 1 0 382.895 4.211 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000414901650 824048052 /nfs/dbraw/zinc/04/80/52/824048052.db2.gz IXCXJIIYSUGOKH-ZRGWGRIASA-N 1 0 382.895 4.210 20 30 GIEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414902061 824048109 /nfs/dbraw/zinc/04/81/09/824048109.db2.gz JKWSSNOULXLIEX-VCBZYWHSSA-N 1 0 382.895 4.196 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000414904762 824048510 /nfs/dbraw/zinc/04/85/10/824048510.db2.gz NJELCQRPWQAFLP-HEFCMCLBSA-N 1 0 382.895 4.196 20 30 GIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(Cl)c2C#N)CC3)cs1 ZINC001164691791 719806077 /nfs/dbraw/zinc/80/60/77/719806077.db2.gz KCHBJRMKWBIHER-UHFFFAOYSA-N 1 0 387.940 4.007 20 30 GIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc(Cl)c4C#N)CC3)CC2)cc1 ZINC001164760568 721042744 /nfs/dbraw/zinc/04/27/44/721042744.db2.gz WJUCQOXVFHSAHW-UHFFFAOYSA-N 1 0 395.938 4.193 20 30 GIEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165045872 721965991 /nfs/dbraw/zinc/96/59/91/721965991.db2.gz CMJBGENFGCHYLJ-YADHBBJMSA-N 1 0 389.547 4.285 20 30 GIEDRO COc1cc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C#N)c(Cl)n1 ZINC001165049105 721972575 /nfs/dbraw/zinc/97/25/75/721972575.db2.gz NFBSVVGDBLBJRR-CQSZACIVSA-N 1 0 398.885 4.005 20 30 GIEDRO C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CCO2 ZINC001164980238 722169840 /nfs/dbraw/zinc/16/98/40/722169840.db2.gz XJANFGUWAHRNDA-ZDXQCDESSA-N 1 0 399.579 4.207 20 30 GIEDRO CSc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)cc1 ZINC000458580582 823059220 /nfs/dbraw/zinc/05/92/20/823059220.db2.gz OCUVOKJQVFUTFE-LEWJYISDSA-N 1 0 396.560 4.355 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000120793328 823065348 /nfs/dbraw/zinc/06/53/48/823065348.db2.gz VIIYYSYFYQHOOF-OAHLLOKOSA-N 1 0 383.442 4.141 20 30 GIEDRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570682343 823071734 /nfs/dbraw/zinc/07/17/34/823071734.db2.gz BHOTUVVQRIURBP-AWEZNQCLSA-N 1 0 375.394 4.278 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)cc1 ZINC000120861423 823078775 /nfs/dbraw/zinc/07/87/75/823078775.db2.gz FMEJYLNVGXFKSP-HNNXBMFYSA-N 1 0 378.394 4.346 20 30 GIEDRO N#CCSc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000176033822 823101685 /nfs/dbraw/zinc/10/16/85/823101685.db2.gz FYASYMXPUHOKGK-UHFFFAOYSA-N 1 0 385.558 4.006 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000121022139 823104471 /nfs/dbraw/zinc/10/44/71/823104471.db2.gz XFIDLTMLXMNAEW-RDPSFJRHSA-N 1 0 389.499 4.201 20 30 GIEDRO CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176058051 823109150 /nfs/dbraw/zinc/10/91/50/823109150.db2.gz QNNMVJVZVWUUAZ-FQEVSTJZSA-N 1 0 379.529 4.039 20 30 GIEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000176137212 823132844 /nfs/dbraw/zinc/13/28/44/823132844.db2.gz RDPLGAKRGIIIQH-GHTZIAJQSA-N 1 0 394.515 4.043 20 30 GIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000571329795 823166581 /nfs/dbraw/zinc/16/65/81/823166581.db2.gz CPNRUNQVYMSOMB-AWEZNQCLSA-N 1 0 384.442 4.073 20 30 GIEDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187991969 823168363 /nfs/dbraw/zinc/16/83/63/823168363.db2.gz XKJMEVGNEPJEIM-QHCPKHFHSA-N 1 0 388.515 4.153 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000056792199 823215052 /nfs/dbraw/zinc/21/50/52/823215052.db2.gz HOEMFJGGXYCTCB-OAQYLSRUSA-N 1 0 397.519 4.213 20 30 GIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000571674887 823217396 /nfs/dbraw/zinc/21/73/96/823217396.db2.gz HEGJMAQWZYXJNY-JOCHJYFZSA-N 1 0 376.435 4.345 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)c1C#N ZINC000459622345 823231421 /nfs/dbraw/zinc/23/14/21/823231421.db2.gz XTYCCJSLTUNZKL-OYHNWAKOSA-N 1 0 382.508 4.115 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000571842701 823243726 /nfs/dbraw/zinc/24/37/26/823243726.db2.gz WFSSBWDBZMGTMW-UHFFFAOYSA-N 1 0 388.490 4.323 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(C(F)(F)F)c1 ZINC000176709402 823274091 /nfs/dbraw/zinc/27/40/91/823274091.db2.gz ZVDAVJMMVLNZBY-IAQYHMDHSA-N 1 0 379.407 4.095 20 30 GIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)C ZINC000460128378 823290497 /nfs/dbraw/zinc/29/04/97/823290497.db2.gz PDDKZYQRGDXGTI-KSZLIROESA-N 1 0 389.506 4.448 20 30 GIEDRO N#CC[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572174260 823294701 /nfs/dbraw/zinc/29/47/01/823294701.db2.gz HRPXXZKVNBCEDH-UPVQGACJSA-N 1 0 389.543 4.492 20 30 GIEDRO CCc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000007611297 817879198 /nfs/dbraw/zinc/87/91/98/817879198.db2.gz BWXPVOBQDNUHJD-UHFFFAOYSA-O 1 0 391.516 4.080 20 30 GIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000572215817 823302686 /nfs/dbraw/zinc/30/26/86/823302686.db2.gz AHFOWSISPFEFHQ-KRWDZBQOSA-N 1 0 378.354 4.200 20 30 GIEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1cccc(C)c1 ZINC000122089023 823304681 /nfs/dbraw/zinc/30/46/81/823304681.db2.gz UCRAESJFMLDPGZ-ZDUSSCGKSA-O 1 0 379.908 4.402 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008261581 818025289 /nfs/dbraw/zinc/02/52/89/818025289.db2.gz GUMZUPQBLXGXNX-OAHLLOKOSA-N 1 0 396.541 4.438 20 30 GIEDRO COc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(C)c2)c1 ZINC000015246279 818302345 /nfs/dbraw/zinc/30/23/45/818302345.db2.gz NUZWZOCCQLGGQP-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c(C)c1 ZINC000015246839 818302455 /nfs/dbraw/zinc/30/24/55/818302455.db2.gz KJZRIUYQFYXGSF-UHFFFAOYSA-O 1 0 391.516 4.134 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(F)c1 ZINC000016585291 818455849 /nfs/dbraw/zinc/45/58/49/818455849.db2.gz RBKYVHIZCBWVDG-UHFFFAOYSA-N 1 0 385.508 4.488 20 30 GIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)ccc1OC ZINC000057964223 823350942 /nfs/dbraw/zinc/35/09/42/823350942.db2.gz PQYWBRBYHGCMGG-NRFANRHFSA-N 1 0 394.515 4.103 20 30 GIEDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000572565673 823361954 /nfs/dbraw/zinc/36/19/54/823361954.db2.gz CXTSWHVZXIEYNZ-PXNSSMCTSA-N 1 0 395.469 4.061 20 30 GIEDRO CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686510 818843721 /nfs/dbraw/zinc/84/37/21/818843721.db2.gz XKFNYAAVSAZWNN-UHFFFAOYSA-O 1 0 377.480 4.098 20 30 GIEDRO C[NH+](C)CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000058297353 823375718 /nfs/dbraw/zinc/37/57/18/823375718.db2.gz YEQNVIZNDZKWMF-UHFFFAOYSA-N 1 0 399.494 4.346 20 30 GIEDRO CC(C)c1ccc(C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000024101435 819024139 /nfs/dbraw/zinc/02/41/39/819024139.db2.gz NFGSKGACWPZMDT-QHCPKHFHSA-N 1 0 378.516 4.280 20 30 GIEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000177149993 823383436 /nfs/dbraw/zinc/38/34/36/823383436.db2.gz CNSPFWWLXICGCY-QFBILLFUSA-N 1 0 376.460 4.051 20 30 GIEDRO CNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1cccc(C)c1 ZINC000024566617 819071996 /nfs/dbraw/zinc/07/19/96/819071996.db2.gz ISZDOUJWMIKBQZ-UHFFFAOYSA-O 1 0 377.489 4.233 20 30 GIEDRO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122633879 823385296 /nfs/dbraw/zinc/38/52/96/823385296.db2.gz VMOBQDKTYMEHAH-LJQANCHMSA-N 1 0 386.499 4.482 20 30 GIEDRO Cn1cc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000572768476 823395691 /nfs/dbraw/zinc/39/56/91/823395691.db2.gz LDIMPJGTNMLGSQ-FQEVSTJZSA-N 1 0 398.432 4.470 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000058535522 823405547 /nfs/dbraw/zinc/40/55/47/823405547.db2.gz NSJBVNLRHFOMKE-GOSISDBHSA-N 1 0 376.504 4.449 20 30 GIEDRO C=C(C)Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC000460566836 823435733 /nfs/dbraw/zinc/43/57/33/823435733.db2.gz ULMBDUPUNBDCJA-UHFFFAOYSA-N 1 0 385.531 4.003 20 30 GIEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460568262 823436890 /nfs/dbraw/zinc/43/68/90/823436890.db2.gz UJTNLIAFCANUGX-PKOBYXMFSA-N 1 0 391.519 4.330 20 30 GIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(-c2ccccc2)n1 ZINC000189584754 823451822 /nfs/dbraw/zinc/45/18/22/823451822.db2.gz BPLXAHQOWJPZJE-HXUWFJFHSA-N 1 0 376.435 4.216 20 30 GIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000573170847 823459488 /nfs/dbraw/zinc/45/94/88/823459488.db2.gz ODDQDBKLQBJREW-FXAWDEMLSA-N 1 0 382.305 4.177 20 30 GIEDRO COc1ccccc1NC(=S)C(C(=O)c1ccccc1OC)[n+]1ccccc1 ZINC000027054497 820186361 /nfs/dbraw/zinc/18/63/61/820186361.db2.gz XUENGDDBPSXNSB-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCc2ccccc2)cc1 ZINC000027200227 820209002 /nfs/dbraw/zinc/20/90/02/820209002.db2.gz WMNJECSWJOMXMP-UHFFFAOYSA-O 1 0 397.470 4.289 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027324043 820224214 /nfs/dbraw/zinc/22/42/14/820224214.db2.gz FXMRPKWAPJXUKX-UHFFFAOYSA-O 1 0 397.564 4.190 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123102670 823462668 /nfs/dbraw/zinc/46/26/68/823462668.db2.gz DHYCPHMAGANCMN-UHFFFAOYSA-N 1 0 381.495 4.188 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027485757 820250996 /nfs/dbraw/zinc/25/09/96/820250996.db2.gz UMHSSRFHEJFNMT-DNVCBOLYSA-O 1 0 384.569 4.335 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@H]1C)[n+]1cccc(C)c1 ZINC000027485429 820251150 /nfs/dbraw/zinc/25/11/50/820251150.db2.gz WICIBDUVOXSPRA-IEBWSBKVSA-O 1 0 397.564 4.398 20 30 GIEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000027485658 820251188 /nfs/dbraw/zinc/25/11/88/820251188.db2.gz ARTWUXQIJRRYNJ-HNAYVOBHSA-O 1 0 384.569 4.335 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027578725 820262896 /nfs/dbraw/zinc/26/28/96/820262896.db2.gz DXZKNMZJBDOHOM-HRAATJIYSA-N 1 0 399.922 4.178 20 30 GIEDRO COc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCc1ccccc1 ZINC000123176686 823474215 /nfs/dbraw/zinc/47/42/15/823474215.db2.gz HECZBZLMAFHZSG-UHFFFAOYSA-N 1 0 398.466 4.083 20 30 GIEDRO O=C(C[n+]1ccc2c(c1)CCCC2)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000029459725 820458551 /nfs/dbraw/zinc/45/85/51/820458551.db2.gz MFKUTWGFYZXULF-QHCPKHFHSA-N 1 0 385.487 4.020 20 30 GIEDRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410383681 823482360 /nfs/dbraw/zinc/48/23/60/823482360.db2.gz SEBUIESGUODUER-OAQYLSRUSA-N 1 0 391.506 4.134 20 30 GIEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000573409867 823489763 /nfs/dbraw/zinc/48/97/63/823489763.db2.gz ZDLQPGZXYYKACY-HNNXBMFYSA-N 1 0 392.334 4.111 20 30 GIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000030454925 820618727 /nfs/dbraw/zinc/61/87/27/820618727.db2.gz YGLCJOWTQSFGCY-CVEARBPZSA-N 1 0 381.476 4.032 20 30 GIEDRO C=CCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000030547348 820637755 /nfs/dbraw/zinc/63/77/55/820637755.db2.gz RCCQJTHGRLCHHU-JOCHJYFZSA-N 1 0 394.515 4.217 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000031104279 820743038 /nfs/dbraw/zinc/74/30/38/820743038.db2.gz JUMPXNAYFVAEQB-GOSISDBHSA-N 1 0 376.504 4.105 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410545206 823503275 /nfs/dbraw/zinc/50/32/75/823503275.db2.gz JUNUMUUHYOYJPR-CVDCTZTESA-N 1 0 389.543 4.154 20 30 GIEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000177668358 823511120 /nfs/dbraw/zinc/51/11/20/823511120.db2.gz QRRMESPCOVAPLE-SYXCRGJESA-N 1 0 377.444 4.290 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460782742 823511248 /nfs/dbraw/zinc/51/12/48/823511248.db2.gz CEHYKRJAJPOSCI-PXNSSMCTSA-N 1 0 399.970 4.161 20 30 GIEDRO CCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060348993 823518061 /nfs/dbraw/zinc/51/80/61/823518061.db2.gz NLQMBSGVSJUDRT-QFIPXVFZSA-N 1 0 376.504 4.467 20 30 GIEDRO C=C(C)Cn1c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460802985 823516694 /nfs/dbraw/zinc/51/66/94/823516694.db2.gz LQRDCEBSDYHQBY-PZJWPPBQSA-N 1 0 393.579 4.243 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000032775802 821007069 /nfs/dbraw/zinc/00/70/69/821007069.db2.gz PRCLMHJFJMJFRH-QGZVFWFLSA-N 1 0 384.526 4.123 20 30 GIEDRO CC1(C)CC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC(C)(C)[NH2+]1 ZINC000033229502 821051920 /nfs/dbraw/zinc/05/19/20/821051920.db2.gz VWZXWYVZRXIQFR-UHFFFAOYSA-N 1 0 391.515 4.176 20 30 GIEDRO COc1cc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc(OC)c1OC ZINC000177821705 823531024 /nfs/dbraw/zinc/53/10/24/823531024.db2.gz RDXCSXGABOMFTC-OAHLLOKOSA-N 1 0 386.517 4.168 20 30 GIEDRO CCCOc1ccc(CNC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000060469460 823531702 /nfs/dbraw/zinc/53/17/02/823531702.db2.gz ONSFEWDZKSGJRE-GOSISDBHSA-N 1 0 379.504 4.046 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000041466195 821194755 /nfs/dbraw/zinc/19/47/55/821194755.db2.gz IEPPPMLZBZZRAK-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000043182201 821375214 /nfs/dbraw/zinc/37/52/14/821375214.db2.gz HNUSZKZPTFDDHH-INIZCTEOSA-N 1 0 384.911 4.046 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043521427 821421949 /nfs/dbraw/zinc/42/19/49/821421949.db2.gz JNIDKRIETMNYAE-UHFFFAOYSA-N 1 0 392.547 4.357 20 30 GIEDRO C#CCOc1ccccc1C[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000180750051 821433193 /nfs/dbraw/zinc/43/31/93/821433193.db2.gz OVBDDXSICSJFPI-UHFFFAOYSA-N 1 0 396.556 4.277 20 30 GIEDRO CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000180781941 821454609 /nfs/dbraw/zinc/45/46/09/821454609.db2.gz AOISXRBAMUTTFR-LJQANCHMSA-N 1 0 396.560 4.287 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000180810477 821472413 /nfs/dbraw/zinc/47/24/13/821472413.db2.gz LINQDCASAQPCMN-CRAIPNDOSA-N 1 0 383.448 4.444 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(OC)cc2OC)ccc1OC ZINC000180811701 821472845 /nfs/dbraw/zinc/47/28/45/821472845.db2.gz ZQDHFPQYXYWFSI-NVXWUHKLSA-N 1 0 384.476 4.244 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000043875775 821481282 /nfs/dbraw/zinc/48/12/82/821481282.db2.gz BEWWYNUANWHSGD-QGZVFWFLSA-N 1 0 390.487 4.139 20 30 GIEDRO CC(C)(CCC#N)CNc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000180869476 821504428 /nfs/dbraw/zinc/50/44/28/821504428.db2.gz MKRTURRYDRJVKW-UHFFFAOYSA-N 1 0 391.563 4.188 20 30 GIEDRO CSc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566231 821608963 /nfs/dbraw/zinc/60/89/63/821608963.db2.gz IJJJVAKJYSMHQV-UHFFFAOYSA-N 1 0 387.936 4.138 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1 ZINC000181072836 821619150 /nfs/dbraw/zinc/61/91/50/821619150.db2.gz FZIZVAHHJAZOBK-INIZCTEOSA-N 1 0 376.884 4.190 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1NC(C)=O ZINC000181214322 821701516 /nfs/dbraw/zinc/70/15/16/821701516.db2.gz NLBQKYZNQYVPOW-AWEZNQCLSA-N 1 0 390.405 4.375 20 30 GIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000181612660 821903825 /nfs/dbraw/zinc/90/38/25/821903825.db2.gz JSJOIKNADDDHEB-IBGZPJMESA-N 1 0 379.500 4.245 20 30 GIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181653570 821924806 /nfs/dbraw/zinc/92/48/06/821924806.db2.gz CUSSDLFWVAMTOE-MSOLQXFVSA-N 1 0 376.504 4.226 20 30 GIEDRO CCc1cccc2c(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000181737488 821969378 /nfs/dbraw/zinc/96/93/78/821969378.db2.gz MTVLBVWWYICVPI-UHFFFAOYSA-N 1 0 386.543 4.399 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(OCC#N)cc1 ZINC000181765788 821983555 /nfs/dbraw/zinc/98/35/55/821983555.db2.gz GYWWPMUQTYQWNO-RDJZCZTQSA-N 1 0 387.430 4.120 20 30 GIEDRO C[C@@H](NC1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CCOCC1)c1ccccc1 ZINC000181783966 821990924 /nfs/dbraw/zinc/99/09/24/821990924.db2.gz MJHUAPVDEMQVMS-WOJBJXKFSA-N 1 0 393.531 4.140 20 30 GIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000181902940 822032354 /nfs/dbraw/zinc/03/23/54/822032354.db2.gz MDELQJBXMXGJTC-HNNXBMFYSA-N 1 0 391.393 4.183 20 30 GIEDRO CCc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000182004853 822059841 /nfs/dbraw/zinc/05/98/41/822059841.db2.gz KOZPNGOQJJLSTM-UHFFFAOYSA-N 1 0 376.504 4.169 20 30 GIEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)cc2)c1 ZINC000182067297 822080218 /nfs/dbraw/zinc/08/02/18/822080218.db2.gz USBZWTSDFQUXIA-KOSHJBKYSA-N 1 0 391.515 4.033 20 30 GIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1 ZINC000182596887 822317359 /nfs/dbraw/zinc/31/73/59/822317359.db2.gz UGCZOMDJYWBXGW-LJQANCHMSA-N 1 0 393.878 4.077 20 30 GIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000453447275 822364349 /nfs/dbraw/zinc/36/43/49/822364349.db2.gz ABVUNMWKVVCZPR-MRXNPFEDSA-N 1 0 383.540 4.042 20 30 GIEDRO C=C(C)Cn1c(CCCC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453455836 822366987 /nfs/dbraw/zinc/36/69/87/822366987.db2.gz TWKNXVNZVZJUMY-UHFFFAOYSA-N 1 0 387.494 4.050 20 30 GIEDRO CC(C)(C)NC(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182785261 822367319 /nfs/dbraw/zinc/36/73/19/822367319.db2.gz GAXCZUMJRPDESP-UHFFFAOYSA-N 1 0 390.531 4.163 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914763 822391773 /nfs/dbraw/zinc/39/17/73/822391773.db2.gz ISUWAJWCFWHFQW-QUCCMNQESA-N 1 0 385.552 4.046 20 30 GIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178670176 822401329 /nfs/dbraw/zinc/40/13/29/822401329.db2.gz CVLUFWRPPVOYEM-UWJYYQICSA-N 1 0 394.475 4.279 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000045789352 822413995 /nfs/dbraw/zinc/41/39/95/822413995.db2.gz BMQCUNGLYUEXOK-LJQANCHMSA-N 1 0 390.531 4.132 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)cc1)C(=S)NCCSC ZINC000178903987 822420462 /nfs/dbraw/zinc/42/04/62/822420462.db2.gz KTEYINZVTNQLDW-UHFFFAOYSA-O 1 0 393.985 4.081 20 30 GIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000183155901 822432831 /nfs/dbraw/zinc/43/28/31/822432831.db2.gz LBWISPPMKBRKAV-CQSZACIVSA-N 1 0 393.516 4.020 20 30 GIEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1OCCCC#N ZINC000183211051 822442404 /nfs/dbraw/zinc/44/24/04/822442404.db2.gz MRGXSVPPAOCPIU-HXUWFJFHSA-N 1 0 384.451 4.170 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179514096 822494276 /nfs/dbraw/zinc/49/42/76/822494276.db2.gz DNFDCTMNALZBIP-IRXDYDNUSA-N 1 0 397.906 4.267 20 30 GIEDRO C=CCOc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454585520 822501337 /nfs/dbraw/zinc/50/13/37/822501337.db2.gz SJZCDXRRHCNFRP-UHFFFAOYSA-N 1 0 385.430 4.132 20 30 GIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000183626109 822502973 /nfs/dbraw/zinc/50/29/73/822502973.db2.gz LBUHSULFNBSIFH-KRWDZBQOSA-N 1 0 396.491 4.342 20 30 GIEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686540 822527159 /nfs/dbraw/zinc/52/71/59/822527159.db2.gz UWSBWNGJVSJUBA-ZHRRBRCNSA-N 1 0 395.478 4.210 20 30 GIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179744571 822541423 /nfs/dbraw/zinc/54/14/23/822541423.db2.gz HWCFGMLTNZYZGX-UHFFFAOYSA-N 1 0 377.488 4.220 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000179745194 822541648 /nfs/dbraw/zinc/54/16/48/822541648.db2.gz XGZCGBJUSKLZPY-UHFFFAOYSA-N 1 0 380.488 4.111 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274027 822560948 /nfs/dbraw/zinc/56/09/48/822560948.db2.gz JTCBYSGXHYFQMG-UHFFFAOYSA-N 1 0 394.475 4.358 20 30 GIEDRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(OCC#N)cc1 ZINC000184097242 822577382 /nfs/dbraw/zinc/57/73/82/822577382.db2.gz VETLONPKGUOHAD-HNNXBMFYSA-N 1 0 380.423 4.061 20 30 GIEDRO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179933683 822579965 /nfs/dbraw/zinc/57/99/65/822579965.db2.gz AUCYQJDUWIVCOP-UHFFFAOYSA-N 1 0 389.459 4.278 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000180014778 822596787 /nfs/dbraw/zinc/59/67/87/822596787.db2.gz IIUBWDRFBMOSEX-SFHVURJKSA-N 1 0 392.503 4.106 20 30 GIEDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1Cl ZINC000180030748 822600872 /nfs/dbraw/zinc/60/08/72/822600872.db2.gz QNIIQYDJZVVJGU-NRFANRHFSA-N 1 0 393.922 4.005 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccnc3-n3cccn3)c2)c1 ZINC000047701372 822600947 /nfs/dbraw/zinc/60/09/47/822600947.db2.gz LSRBTCGFAFOMIN-UHFFFAOYSA-N 1 0 395.466 4.008 20 30 GIEDRO Cc1ccccc1CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180057268 822605598 /nfs/dbraw/zinc/60/55/98/822605598.db2.gz CFYRXXRPJIJRRX-UHFFFAOYSA-N 1 0 399.542 4.021 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184282770 822608192 /nfs/dbraw/zinc/60/81/92/822608192.db2.gz MWCAAGCGIUCIOA-UHFFFAOYSA-N 1 0 392.503 4.004 20 30 GIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180082325 822611675 /nfs/dbraw/zinc/61/16/75/822611675.db2.gz GFOUEAOVGCWANA-UHFFFAOYSA-N 1 0 391.540 4.351 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184378794 822624799 /nfs/dbraw/zinc/62/47/99/822624799.db2.gz GRUJFFXSDFGSPM-UHFFFAOYSA-N 1 0 391.928 4.021 20 30 GIEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000048214480 822645964 /nfs/dbraw/zinc/64/59/64/822645964.db2.gz MJTXEBVVRSYFHW-MRXNPFEDSA-N 1 0 396.922 4.236 20 30 GIEDRO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180241254 822646605 /nfs/dbraw/zinc/64/66/05/822646605.db2.gz FRUOSJVHRXQGEF-LJQANCHMSA-N 1 0 392.890 4.265 20 30 GIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000184513702 822648673 /nfs/dbraw/zinc/64/86/73/822648673.db2.gz DYFLGDAPVBALJU-CYBMUJFWSA-N 1 0 390.940 4.185 20 30 GIEDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000180267684 822651355 /nfs/dbraw/zinc/65/13/55/822651355.db2.gz ZGQQABOXOXITOV-FQEVSTJZSA-N 1 0 380.879 4.089 20 30 GIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530182 822651825 /nfs/dbraw/zinc/65/18/25/822651825.db2.gz LMPCYQHDOFPCRJ-YWZLYKJASA-N 1 0 391.437 4.389 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000180335221 822665371 /nfs/dbraw/zinc/66/53/71/822665371.db2.gz YNKOBYQINRDKKQ-UHFFFAOYSA-N 1 0 385.467 4.213 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000048478383 822666282 /nfs/dbraw/zinc/66/62/82/822666282.db2.gz AKXRXUUMAJSTRI-UHFFFAOYSA-N 1 0 386.858 4.091 20 30 GIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c3ccccc3)oc21 ZINC000180354859 822668996 /nfs/dbraw/zinc/66/89/96/822668996.db2.gz LNUAQTRGGABFQX-QGZVFWFLSA-N 1 0 391.471 4.429 20 30 GIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000048524755 822669679 /nfs/dbraw/zinc/66/96/79/822669679.db2.gz GXQQSEKZMVZCAP-UHFFFAOYSA-N 1 0 398.510 4.286 20 30 GIEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCN2C2CC2)c1 ZINC000180375958 822672008 /nfs/dbraw/zinc/67/20/08/822672008.db2.gz QBVPQVHWUXLIIF-UOKFIYJESA-N 1 0 391.515 4.054 20 30 GIEDRO C=CCOc1ccccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180428092 822679914 /nfs/dbraw/zinc/67/99/14/822679914.db2.gz PSJZJKULNMNTAP-UHFFFAOYSA-N 1 0 379.504 4.034 20 30 GIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCC#N)c2ccc(Cl)cc2)c1 ZINC000180429404 822680322 /nfs/dbraw/zinc/68/03/22/822680322.db2.gz RSCVNJDUCXLMTB-IBGZPJMESA-N 1 0 376.909 4.116 20 30 GIEDRO COc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1OC ZINC000048752058 822681402 /nfs/dbraw/zinc/68/14/02/822681402.db2.gz MNYLWTXBKYFXDK-UHFFFAOYSA-N 1 0 388.467 4.444 20 30 GIEDRO C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000455641066 822689338 /nfs/dbraw/zinc/68/93/38/822689338.db2.gz XEWFOPRKYWYOQI-UHFFFAOYSA-N 1 0 379.504 4.096 20 30 GIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180547337 822699979 /nfs/dbraw/zinc/69/99/79/822699979.db2.gz CPJSFOQETYRBJY-GOSISDBHSA-N 1 0 387.277 4.355 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455697248 822705296 /nfs/dbraw/zinc/70/52/96/822705296.db2.gz DLORAYGISPBPTE-JXFKEZNVSA-N 1 0 396.922 4.438 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180580015 822705686 /nfs/dbraw/zinc/70/56/86/822705686.db2.gz LUGUTODWJVZLQK-INIZCTEOSA-N 1 0 382.357 4.368 20 30 GIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704669 822707641 /nfs/dbraw/zinc/70/76/41/822707641.db2.gz NWBGWHLMVAKASU-MAUKXSAKSA-N 1 0 382.895 4.363 20 30 GIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724512 822714173 /nfs/dbraw/zinc/71/41/73/822714173.db2.gz CDUDFJJHTNALGI-MGPUTAFESA-N 1 0 382.895 4.048 20 30 GIEDRO C[C@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000455733661 822716570 /nfs/dbraw/zinc/71/65/70/822716570.db2.gz NVOLVZVCTSISBO-KXBFYZLASA-N 1 0 382.895 4.191 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455782195 822725770 /nfs/dbraw/zinc/72/57/70/822725770.db2.gz APKTVVZMWNAJCS-UHFFFAOYSA-N 1 0 386.446 4.266 20 30 GIEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1)CC(C)C ZINC000455795833 822728047 /nfs/dbraw/zinc/72/80/47/822728047.db2.gz UOKHAJSOFASLPF-UHFFFAOYSA-N 1 0 391.947 4.219 20 30 GIEDRO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133649 822747769 /nfs/dbraw/zinc/74/77/69/822747769.db2.gz BCMLSNPDLCHEPV-PGRDOPGGSA-N 1 0 397.906 4.250 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455914325 822748140 /nfs/dbraw/zinc/74/81/40/822748140.db2.gz GCOYJTNOFHOKGJ-SFHVURJKSA-N 1 0 376.504 4.449 20 30 GIEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455941723 822754197 /nfs/dbraw/zinc/75/41/97/822754197.db2.gz JTNUXNIAZAOSOM-UHFFFAOYSA-N 1 0 380.517 4.267 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000455944100 822755094 /nfs/dbraw/zinc/75/50/94/822755094.db2.gz MJSHNLMRJDTHCR-OALUTQOASA-N 1 0 392.528 4.458 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456001459 822764839 /nfs/dbraw/zinc/76/48/39/822764839.db2.gz GLQOUDQQAMUXNK-UHFFFAOYSA-N 1 0 383.580 4.488 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C#N ZINC000174308321 822768668 /nfs/dbraw/zinc/76/86/68/822768668.db2.gz UVMAYUWCLVBBRK-UHFFFAOYSA-N 1 0 386.377 4.061 20 30 GIEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(F)cc2C1 ZINC000185355547 822770428 /nfs/dbraw/zinc/77/04/28/822770428.db2.gz MRBUIGOQJNWKDQ-HSZRJFAPSA-N 1 0 395.478 4.091 20 30 GIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(Br)cc3C#N)ccc21 ZINC000456304264 822796296 /nfs/dbraw/zinc/79/62/96/822796296.db2.gz HNOQWELFXPPOAO-GOSISDBHSA-N 1 0 384.277 4.122 20 30 GIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NC2CCCCC2)cc1 ZINC000185578909 822798561 /nfs/dbraw/zinc/79/85/61/822798561.db2.gz SIDUUDXQZGCNQS-UHFFFAOYSA-O 1 0 378.521 4.015 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NC1CCCCC1 ZINC000185579058 822798628 /nfs/dbraw/zinc/79/86/28/822798628.db2.gz RTSCHSSHVDGHSB-UHFFFAOYSA-O 1 0 392.548 4.269 20 30 GIEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000185582219 822799069 /nfs/dbraw/zinc/79/90/69/822799069.db2.gz XWTRDQAQDLLYAG-INIZCTEOSA-O 1 0 392.548 4.051 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185595897 822800419 /nfs/dbraw/zinc/80/04/19/822800419.db2.gz VXZMLDMTMXCICS-RYRKJORJSA-N 1 0 395.528 4.031 20 30 GIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000174528929 822801694 /nfs/dbraw/zinc/80/16/94/822801694.db2.gz IDKVAIWFYHELRF-KBXCAEBGSA-N 1 0 388.924 4.478 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)oc21 ZINC000052712321 822807984 /nfs/dbraw/zinc/80/79/84/822807984.db2.gz OVKMYAUFVMWXMS-GJZGRUSLSA-N 1 0 377.444 4.381 20 30 GIEDRO CCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(C#N)cc1 ZINC000052825713 822812295 /nfs/dbraw/zinc/81/22/95/822812295.db2.gz WJWULWWZJLKNGU-UHFFFAOYSA-N 1 0 390.531 4.318 20 30 GIEDRO C=C(C)[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000185836188 822825906 /nfs/dbraw/zinc/82/59/06/822825906.db2.gz CKRQJDMXQDFXSM-HXUWFJFHSA-N 1 0 377.479 4.099 20 30 GIEDRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000185890038 822830451 /nfs/dbraw/zinc/83/04/51/822830451.db2.gz MDOOSPPUSIQEPY-SFHVURJKSA-N 1 0 385.895 4.016 20 30 GIEDRO C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)OCC ZINC000456793265 822831548 /nfs/dbraw/zinc/83/15/48/822831548.db2.gz QBNDMXYDFMRMSB-LJQANCHMSA-N 1 0 380.916 4.123 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000053420134 822834164 /nfs/dbraw/zinc/83/41/64/822834164.db2.gz MBTZIIGOFMPQCK-GOSISDBHSA-N 1 0 398.553 4.318 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000174769946 822834811 /nfs/dbraw/zinc/83/48/11/822834811.db2.gz PFFXZZINVVTLDE-UHFFFAOYSA-N 1 0 397.563 4.116 20 30 GIEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1nc(C(F)(F)F)cs1 ZINC000185941340 822835507 /nfs/dbraw/zinc/83/55/07/822835507.db2.gz OOLCHPDDOTVGMS-LBPRGKRZSA-N 1 0 385.411 4.162 20 30 GIEDRO C=CCC[C@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083867 822850184 /nfs/dbraw/zinc/85/01/84/822850184.db2.gz ZKKIRHHXDUYHSU-VBKZILBWSA-N 1 0 379.472 4.402 20 30 GIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174903682 822853323 /nfs/dbraw/zinc/85/33/23/822853323.db2.gz RBMLUDWVEJSWGU-HXUWFJFHSA-N 1 0 390.531 4.474 20 30 GIEDRO N#Cc1ccc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000457194522 822859916 /nfs/dbraw/zinc/85/99/16/822859916.db2.gz LHNNRDHBBSCISI-QHCPKHFHSA-N 1 0 390.531 4.183 20 30 GIEDRO Cc1cc(C#N)ccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000186267349 822867308 /nfs/dbraw/zinc/86/73/08/822867308.db2.gz ODMNQGKSGRKLHT-UHFFFAOYSA-N 1 0 385.305 4.425 20 30 GIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000186329554 822876954 /nfs/dbraw/zinc/87/69/54/822876954.db2.gz YAMYYJYLXNGSQU-SCTDSRPQSA-N 1 0 389.565 4.203 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000175121420 822886403 /nfs/dbraw/zinc/88/64/03/822886403.db2.gz KYWSIYHZOSWBGC-KRWDZBQOSA-N 1 0 394.494 4.071 20 30 GIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386113 822914270 /nfs/dbraw/zinc/91/42/70/822914270.db2.gz SFWPLMSDJCADNE-VXKWHMMOSA-N 1 0 384.483 4.202 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000569416025 822919486 /nfs/dbraw/zinc/91/94/86/822919486.db2.gz HQZUMOQZGQFMOM-OAQYLSRUSA-N 1 0 387.527 4.274 20 30 GIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175308597 822931074 /nfs/dbraw/zinc/93/10/74/822931074.db2.gz SKPAWTHNODHQIR-UHFFFAOYSA-N 1 0 382.895 4.340 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccccc2)c1 ZINC000055013366 822931224 /nfs/dbraw/zinc/93/12/24/822931224.db2.gz JVWNTBWPXUUKSH-KRWDZBQOSA-O 1 0 391.516 4.272 20 30 GIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccccc2C#N)cc1 ZINC000055013974 822931457 /nfs/dbraw/zinc/93/14/57/822931457.db2.gz BANYMOCMKMASNL-UHFFFAOYSA-O 1 0 386.500 4.459 20 30 GIEDRO N#Cc1ccc(C[NH2+]CCc2nccn2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000569534493 822936038 /nfs/dbraw/zinc/93/60/38/822936038.db2.gz ZPQMQYJXCDTESF-UHFFFAOYSA-N 1 0 384.405 4.154 20 30 GIEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000186709347 822941856 /nfs/dbraw/zinc/94/18/56/822941856.db2.gz VFCDRGVTSNNCKR-WFASDCNBSA-N 1 0 393.350 4.477 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000175365970 822947722 /nfs/dbraw/zinc/94/77/22/822947722.db2.gz WNZLBZBQLNQEGE-UHFFFAOYSA-N 1 0 391.540 4.314 20 30 GIEDRO OC1(Cc2cccc(F)c2)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186941287 822983989 /nfs/dbraw/zinc/98/39/89/822983989.db2.gz DNLCURVBBUBENJ-UHFFFAOYSA-N 1 0 391.408 4.266 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cc(C)ccc1C)[n+]1ccccc1 ZINC000186955453 822986446 /nfs/dbraw/zinc/98/64/46/822986446.db2.gz GVYXNVLOZHBKOR-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1ccccc1)[n+]1ccc(C)cc1 ZINC000186963479 822988274 /nfs/dbraw/zinc/98/82/74/822988274.db2.gz RQJAVFRAJYJWQP-HNNXBMFYSA-O 1 0 394.520 4.177 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(OC)c1 ZINC000175550257 822995482 /nfs/dbraw/zinc/99/54/82/822995482.db2.gz ZAPRFKWRZDEMDG-OAQYLSRUSA-N 1 0 397.544 4.124 20 30 GIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000175557962 822996956 /nfs/dbraw/zinc/99/69/56/822996956.db2.gz ADYUFJWZMGHSOY-UHFFFAOYSA-N 1 0 383.517 4.275 20 30 GIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000570065408 823002298 /nfs/dbraw/zinc/00/22/98/823002298.db2.gz YQDPIQHFIALNKJ-WMLDXEAASA-N 1 0 375.456 4.127 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000175726425 823027660 /nfs/dbraw/zinc/02/76/60/823027660.db2.gz GJWGIWNEGRIHLN-UHFFFAOYSA-N 1 0 398.482 4.104 20 30 GIEDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 ZINC000570386171 823032106 /nfs/dbraw/zinc/03/21/06/823032106.db2.gz FXNACFCTGCBLFG-UHFFFAOYSA-N 1 0 376.460 4.145 20 30 GIEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000570486542 823044837 /nfs/dbraw/zinc/04/48/37/823044837.db2.gz CGBIQCNCFQRVEP-UHFFFAOYSA-N 1 0 397.910 4.090 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460948462 823548656 /nfs/dbraw/zinc/54/86/56/823548656.db2.gz WKRGESSPKAGLEE-ZWKOTPCHSA-N 1 0 392.551 4.312 20 30 GIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460954622 823549906 /nfs/dbraw/zinc/54/99/06/823549906.db2.gz CINAYGBLNDIICG-QFBILLFUSA-N 1 0 385.943 4.238 20 30 GIEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCC3(C#N)CCCCC3)CC2)cc1F ZINC000411173295 823554416 /nfs/dbraw/zinc/55/44/16/823554416.db2.gz LZKMQEVUYIOYSJ-UHFFFAOYSA-N 1 0 385.527 4.327 20 30 GIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411459417 823577207 /nfs/dbraw/zinc/57/72/07/823577207.db2.gz MYQIEQVZHPXAPZ-CQSZACIVSA-N 1 0 383.517 4.105 20 30 GIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3C#N)oc21 ZINC000411528841 823584918 /nfs/dbraw/zinc/58/49/18/823584918.db2.gz HKFWLGVOQSQHBZ-HNNXBMFYSA-N 1 0 377.444 4.383 20 30 GIEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190604490 823590566 /nfs/dbraw/zinc/59/05/66/823590566.db2.gz BGEZBLNOCIUGDI-KBXCAEBGSA-N 1 0 396.560 4.072 20 30 GIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000190604230 823590596 /nfs/dbraw/zinc/59/05/96/823590596.db2.gz KQGNWMMWRRPTGS-AUUYWEPGSA-N 1 0 387.405 4.029 20 30 GIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190612620 823591635 /nfs/dbraw/zinc/59/16/35/823591635.db2.gz ROBDVKUJIBBXKU-LEWJYISDSA-N 1 0 391.540 4.103 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000461269081 823609527 /nfs/dbraw/zinc/60/95/27/823609527.db2.gz WVQSQGGCYCFZAY-JOCHJYFZSA-N 1 0 376.504 4.248 20 30 GIEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000061868875 823617001 /nfs/dbraw/zinc/61/70/01/823617001.db2.gz ZCXNPXKELSQUOV-RTBURBONSA-N 1 0 390.531 4.351 20 30 GIEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000411984951 823618127 /nfs/dbraw/zinc/61/81/27/823618127.db2.gz NJJBIJLXYNZVIB-GOSISDBHSA-N 1 0 388.508 4.070 20 30 GIEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411999630 823620208 /nfs/dbraw/zinc/62/02/08/823620208.db2.gz NBVCPLSQXQZHKQ-VWNXMTODSA-N 1 0 393.527 4.009 20 30 GIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC000124819404 823628526 /nfs/dbraw/zinc/62/85/26/823628526.db2.gz BXPJLWFIGZSIAA-UHFFFAOYSA-N 1 0 385.458 4.110 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1C#N ZINC000190945909 823628586 /nfs/dbraw/zinc/62/85/86/823628586.db2.gz JKSKDZRSGXHRQP-UHFFFAOYSA-N 1 0 395.890 4.298 20 30 GIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCC(C)CC1 ZINC000062423427 823634959 /nfs/dbraw/zinc/63/49/59/823634959.db2.gz LOMRXFRQHHMUNB-HXUWFJFHSA-N 1 0 377.532 4.347 20 30 GIEDRO CCC(CC)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(OC)c(OC)c1 ZINC000461429960 823635340 /nfs/dbraw/zinc/63/53/40/823635340.db2.gz KAYTZQQPJJXHOD-UHFFFAOYSA-N 1 0 392.503 4.071 20 30 GIEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[NH+]1CCCC1 ZINC000461461368 823642431 /nfs/dbraw/zinc/64/24/31/823642431.db2.gz CFUWMYNZMMRHRE-UHFFFAOYSA-N 1 0 376.891 4.390 20 30 GIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000063299734 823660803 /nfs/dbraw/zinc/66/08/03/823660803.db2.gz FNOLQXIQDNDYRT-GOSISDBHSA-N 1 0 391.298 4.293 20 30 GIEDRO Cc1sc2ncnc(N=NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1C ZINC000063361035 823665508 /nfs/dbraw/zinc/66/55/08/823665508.db2.gz KTRBAEKKQDGQQR-UHFFFAOYSA-N 1 0 390.516 4.244 20 30 GIEDRO N#Cc1ccsc1NC(=O)CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191351771 823675418 /nfs/dbraw/zinc/67/54/18/823675418.db2.gz WYCKMJRTIQYTIL-UHFFFAOYSA-N 1 0 390.512 4.088 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)CC1 ZINC000191366541 823677140 /nfs/dbraw/zinc/67/71/40/823677140.db2.gz BNWWYPFSZISLDY-UHFFFAOYSA-N 1 0 380.536 4.074 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000191421518 823683343 /nfs/dbraw/zinc/68/33/43/823683343.db2.gz IUAZFSDSWICAPM-VXKWHMMOSA-N 1 0 399.579 4.428 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000191430205 823684431 /nfs/dbraw/zinc/68/44/31/823684431.db2.gz JXTPJIWZLZXNHE-NRFANRHFSA-N 1 0 398.595 4.172 20 30 GIEDRO N#CC(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000191554346 823699126 /nfs/dbraw/zinc/69/91/26/823699126.db2.gz IZMIUYPFZQJHRW-VXKWHMMOSA-N 1 0 378.541 4.093 20 30 GIEDRO C[C@@H](Cc1ccccc1)NC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000191697441 823738960 /nfs/dbraw/zinc/73/89/60/823738960.db2.gz YWCNZSFWRWMCNL-SFHVURJKSA-O 1 0 375.517 4.134 20 30 GIEDRO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1 ZINC000461904066 823747158 /nfs/dbraw/zinc/74/71/58/823747158.db2.gz SQCKMMYKHFWHBP-RBUKOAKNSA-N 1 0 375.516 4.353 20 30 GIEDRO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000461910593 823750375 /nfs/dbraw/zinc/75/03/75/823750375.db2.gz NWWXLONLXAEUHQ-HSALFYBXSA-N 1 0 389.543 4.456 20 30 GIEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000461917945 823753460 /nfs/dbraw/zinc/75/34/60/823753460.db2.gz GDMKSIMAEBIZOR-XMSQKQJNSA-N 1 0 391.515 4.014 20 30 GIEDRO C=C(C)Cn1c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC000574535430 823758016 /nfs/dbraw/zinc/75/80/16/823758016.db2.gz UVBJGWFTHQDTCY-HXUWFJFHSA-N 1 0 381.568 4.110 20 30 GIEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000461954301 823770163 /nfs/dbraw/zinc/77/01/63/823770163.db2.gz CMTKWEHQVSVBAW-XZOQPEGZSA-N 1 0 390.531 4.070 20 30 GIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000462001014 823790262 /nfs/dbraw/zinc/79/02/62/823790262.db2.gz RMIADDYGNBSEAT-ROUUACIJSA-N 1 0 377.488 4.257 20 30 GIEDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000164982028 823828069 /nfs/dbraw/zinc/82/80/69/823828069.db2.gz MUVHNWCPHHPNOQ-INIZCTEOSA-N 1 0 380.448 4.187 20 30 GIEDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000165185166 823838618 /nfs/dbraw/zinc/83/86/18/823838618.db2.gz XUANMGHNOJMDPD-LBPRGKRZSA-N 1 0 389.471 4.408 20 30 GIEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cccc1-c1ccccn1 ZINC000165579183 823854276 /nfs/dbraw/zinc/85/42/76/823854276.db2.gz DAJXVMSZGNZUGF-UHFFFAOYSA-N 1 0 398.510 4.133 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408823 823859835 /nfs/dbraw/zinc/85/98/35/823859835.db2.gz BVTFHCHUBOGGFZ-WOJBJXKFSA-N 1 0 390.531 4.273 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462192406 823863289 /nfs/dbraw/zinc/86/32/89/823863289.db2.gz BUBLMYHAYNTQLW-KNQAVFIVSA-N 1 0 375.516 4.032 20 30 GIEDRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462200910 823867351 /nfs/dbraw/zinc/86/73/51/823867351.db2.gz ICZDKSMWRPIHMT-MSOLQXFVSA-N 1 0 377.488 4.021 20 30 GIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000126449741 823870670 /nfs/dbraw/zinc/87/06/70/823870670.db2.gz TXVLKVIAXWNLIU-VWLOTQADSA-N 1 0 396.494 4.175 20 30 GIEDRO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000064805542 823888622 /nfs/dbraw/zinc/88/86/22/823888622.db2.gz ZXCHBMGFMAUEBV-UHFFFAOYSA-N 1 0 397.500 4.122 20 30 GIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000192178729 823893526 /nfs/dbraw/zinc/89/35/26/823893526.db2.gz QMWSKNDLWKGTDN-AWEZNQCLSA-N 1 0 377.579 4.045 20 30 GIEDRO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000462309688 823920055 /nfs/dbraw/zinc/92/00/55/823920055.db2.gz DBYXGLMJWDQAQO-IBGZPJMESA-N 1 0 390.531 4.139 20 30 GIEDRO CC[NH+](CC)CC1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000575147655 823923446 /nfs/dbraw/zinc/92/34/46/823923446.db2.gz DMHDTBPMUXQNAG-UHFFFAOYSA-N 1 0 376.426 4.082 20 30 GIEDRO N#CCCC[NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000575175849 823931826 /nfs/dbraw/zinc/93/18/26/823931826.db2.gz WKELLMQNMJVYME-LJQANCHMSA-N 1 0 393.314 4.354 20 30 GIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000065121924 823947373 /nfs/dbraw/zinc/94/73/73/823947373.db2.gz QMVSPTDVNSSYFJ-IBGZPJMESA-N 1 0 389.421 4.390 20 30 GIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192351659 823956067 /nfs/dbraw/zinc/95/60/67/823956067.db2.gz QNTDTTFFMJMNNP-CRAIPNDOSA-N 1 0 395.528 4.392 20 30 GIEDRO CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000126987029 823995459 /nfs/dbraw/zinc/99/54/59/823995459.db2.gz IKZLNWOXZDUKCP-GOSISDBHSA-N 1 0 382.533 4.379 20 30 GIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000575817344 824002648 /nfs/dbraw/zinc/00/26/48/824002648.db2.gz RZNHPDDDRKXKRE-QGZVFWFLSA-N 1 0 387.915 4.193 20 30 GIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000575849418 824011892 /nfs/dbraw/zinc/01/18/92/824011892.db2.gz OPVKOGQFYCONBC-UHFFFAOYSA-N 1 0 398.304 4.035 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)CC1 ZINC000170949076 824013691 /nfs/dbraw/zinc/01/36/91/824013691.db2.gz ISPDZSGHHJSYIW-UHFFFAOYSA-N 1 0 386.442 4.021 20 30 GIEDRO N#Cc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000192506248 824014364 /nfs/dbraw/zinc/01/43/64/824014364.db2.gz CMAZMCQWHLWSFP-UHFFFAOYSA-N 1 0 396.494 4.146 20 30 GIEDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000575889821 824020891 /nfs/dbraw/zinc/02/08/91/824020891.db2.gz PUIBSCOIFJIGGT-BJKOFHAPSA-N 1 0 375.516 4.345 20 30 GIEDRO C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000414898786 824047640 /nfs/dbraw/zinc/04/76/40/824047640.db2.gz FAQMTXNPQZDQOE-OXFYSEKESA-N 1 0 396.922 4.444 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)cc(N)c2)cc1OC ZINC000414973433 824055878 /nfs/dbraw/zinc/05/58/78/824055878.db2.gz ZQVIWMQIBRIPON-UHFFFAOYSA-N 1 0 391.309 4.203 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047671738 221976919 /nfs/dbraw/zinc/97/69/19/221976919.db2.gz NFMBKBQZBBXDCB-UHFFFAOYSA-N 1 0 391.302 4.461 20 30 GIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726126 720338767 /nfs/dbraw/zinc/33/87/67/720338767.db2.gz PUQHOQRRBAMJCW-XZOQPEGZSA-N 1 0 399.473 4.008 20 30 GIEDRO N#C[C@H](c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nn1)c1ccccc1F ZINC001165050457 721972595 /nfs/dbraw/zinc/97/25/95/721972595.db2.gz YFLXHIHAOQANDK-QUCCMNQESA-N 1 0 393.510 4.116 20 30 GIEDRO Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(C#N)c(C)c1Cl ZINC001164955085 722013258 /nfs/dbraw/zinc/01/32/58/722013258.db2.gz TXJXHOORCASWLF-UHFFFAOYSA-N 1 0 395.938 4.111 20 30 GIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000187343638 823046495 /nfs/dbraw/zinc/04/64/95/823046495.db2.gz QJZIDSGYBCBQBD-KRWDZBQOSA-N 1 0 389.565 4.036 20 30 GIEDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000175865374 823058537 /nfs/dbraw/zinc/05/85/37/823058537.db2.gz KXYHGFUYPYNVLQ-ZCUZBQTDSA-N 1 0 396.556 4.307 20 30 GIEDRO C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630568 823066992 /nfs/dbraw/zinc/06/69/92/823066992.db2.gz KKKKOWDSGYCHFY-RCZSKKKRSA-N 1 0 382.552 4.374 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000120802658 823067007 /nfs/dbraw/zinc/06/70/07/823067007.db2.gz BJJFAGCHUGJGKT-CTNGQTDRSA-N 1 0 378.520 4.321 20 30 GIEDRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1OCCCC#N ZINC000175978912 823087730 /nfs/dbraw/zinc/08/77/30/823087730.db2.gz ULXWFCKCEUJXIR-IBGZPJMESA-N 1 0 399.922 4.400 20 30 GIEDRO N#CCCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000458805086 823089052 /nfs/dbraw/zinc/08/90/52/823089052.db2.gz TWWDCIQASKKLCY-BVSLBCMMSA-N 1 0 380.536 4.080 20 30 GIEDRO C=C(C)COc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1OC ZINC000120935018 823089250 /nfs/dbraw/zinc/08/92/50/823089250.db2.gz GDUBHYSQJLBBAB-UHFFFAOYSA-N 1 0 392.503 4.072 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153156 823090090 /nfs/dbraw/zinc/09/00/90/823090090.db2.gz QEEVUDQFUVWVMB-RBUKOAKNSA-N 1 0 391.515 4.179 20 30 GIEDRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000120950089 823091680 /nfs/dbraw/zinc/09/16/80/823091680.db2.gz ZCMSLDDPQKRPOZ-RDTXWAMCSA-N 1 0 382.533 4.126 20 30 GIEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1F ZINC000120956953 823092833 /nfs/dbraw/zinc/09/28/33/823092833.db2.gz FWQNTRZAXXXNFA-UHFFFAOYSA-N 1 0 389.833 4.341 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000570859887 823097288 /nfs/dbraw/zinc/09/72/88/823097288.db2.gz LAUJHSYCSGIMEE-INIZCTEOSA-N 1 0 379.851 4.036 20 30 GIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000176040478 823103915 /nfs/dbraw/zinc/10/39/15/823103915.db2.gz NGGSLPRMXLMNAU-UHFFFAOYSA-N 1 0 393.556 4.286 20 30 GIEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176137225 823132933 /nfs/dbraw/zinc/13/29/33/823132933.db2.gz RDPLGAKRGIIIQH-NQIIRXRSSA-N 1 0 394.515 4.043 20 30 GIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187789697 823133570 /nfs/dbraw/zinc/13/35/70/823133570.db2.gz CDWWACYMAKDUMD-IBGZPJMESA-N 1 0 375.375 4.109 20 30 GIEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459456302 823195889 /nfs/dbraw/zinc/19/58/89/823195889.db2.gz FOTVKRDBTXODHX-ZBFHGGJFSA-N 1 0 378.314 4.067 20 30 GIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459515421 823208902 /nfs/dbraw/zinc/20/89/02/823208902.db2.gz ACQNXPCHLGSQOR-NRFANRHFSA-N 1 0 397.906 4.034 20 30 GIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000056802400 823216106 /nfs/dbraw/zinc/21/61/06/823216106.db2.gz KPKYLDPTRRDXBL-UHFFFAOYSA-N 1 0 384.524 4.077 20 30 GIEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459566652 823221410 /nfs/dbraw/zinc/22/14/10/823221410.db2.gz HTGUAWXGLFRFAV-FYYLOGMGSA-N 1 0 376.500 4.110 20 30 GIEDRO CC[NH+](CC)Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000188349426 823223870 /nfs/dbraw/zinc/22/38/70/823223870.db2.gz LZMSWJHWSCWWMC-UHFFFAOYSA-N 1 0 392.503 4.148 20 30 GIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409460978 823224780 /nfs/dbraw/zinc/22/47/80/823224780.db2.gz LGTUYQNIYNDLDT-GOSISDBHSA-N 1 0 399.498 4.228 20 30 GIEDRO CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459598630 823227319 /nfs/dbraw/zinc/22/73/19/823227319.db2.gz YYARRHBMFGKTDH-RDJZCZTQSA-N 1 0 383.521 4.013 20 30 GIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)CCCc2cccnc2)c1 ZINC000459649779 823238851 /nfs/dbraw/zinc/23/88/51/823238851.db2.gz WAQYAFKYOIYJRB-RTWAWAEBSA-N 1 0 392.547 4.335 20 30 GIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O ZINC000459655751 823241322 /nfs/dbraw/zinc/24/13/22/823241322.db2.gz VCCCGUAKPGJLFP-GOSISDBHSA-N 1 0 399.453 4.310 20 30 GIEDRO N#Cc1csc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121753184 823243642 /nfs/dbraw/zinc/24/36/42/823243642.db2.gz DSABPZVZPYTQCC-ZDUSSCGKSA-N 1 0 391.422 4.061 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(C)c2)c1 ZINC000121813330 823256315 /nfs/dbraw/zinc/25/63/15/823256315.db2.gz BMMPMUNUHWPBGD-UHFFFAOYSA-O 1 0 377.489 4.342 20 30 GIEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(OCCCC#N)c1 ZINC000572047379 823273999 /nfs/dbraw/zinc/27/39/99/823273999.db2.gz FGKJLEBNVDIDLY-UHFFFAOYSA-N 1 0 376.460 4.094 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000188682026 823285447 /nfs/dbraw/zinc/28/54/47/823285447.db2.gz LDPIRVNSWXDHJY-UHFFFAOYSA-N 1 0 383.458 4.191 20 30 GIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1F ZINC000121943960 823281920 /nfs/dbraw/zinc/28/19/20/823281920.db2.gz QOYURJFZSBMYPC-UHFFFAOYSA-N 1 0 387.458 4.356 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2)[n+]2ccccc2)cc1 ZINC000006896560 817722102 /nfs/dbraw/zinc/72/21/02/817722102.db2.gz JPGUMGQHENVCTL-UHFFFAOYSA-O 1 0 381.452 4.173 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)ccc1OC ZINC000176766396 823287658 /nfs/dbraw/zinc/28/76/58/823287658.db2.gz LHUSZWPNENFZQV-NRFANRHFSA-N 1 0 390.487 4.160 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)C ZINC000460128377 823290544 /nfs/dbraw/zinc/29/05/44/823290544.db2.gz PDDKZYQRGDXGTI-FGTMMUONSA-N 1 0 389.506 4.448 20 30 GIEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000572171808 823294357 /nfs/dbraw/zinc/29/43/57/823294357.db2.gz LZSSVGSZKITGLA-IRXDYDNUSA-N 1 0 393.491 4.130 20 30 GIEDRO Cc1cccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)c1 ZINC000007611218 817879356 /nfs/dbraw/zinc/87/93/56/817879356.db2.gz LHFSBUFUCVALII-UHFFFAOYSA-O 1 0 392.460 4.242 20 30 GIEDRO C=CCOc1cccc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)c1 ZINC000122083805 823303860 /nfs/dbraw/zinc/30/38/60/823303860.db2.gz OBNCAZQBNDEXDP-UHFFFAOYSA-N 1 0 383.488 4.312 20 30 GIEDRO C=CCn1c(SCC[NH+](C)C)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000057492507 823303961 /nfs/dbraw/zinc/30/39/61/823303961.db2.gz UAWCYRHYHBPNQY-UHFFFAOYSA-N 1 0 385.558 4.273 20 30 GIEDRO COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C2CC2)cc1 ZINC000057601081 823313457 /nfs/dbraw/zinc/31/34/57/823313457.db2.gz QFZPQIAZZKAZCA-LJQANCHMSA-N 1 0 391.515 4.243 20 30 GIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000017517638 818518040 /nfs/dbraw/zinc/51/80/40/818518040.db2.gz WCMHUFCKBJVNFQ-UHFFFAOYSA-N 1 0 384.936 4.116 20 30 GIEDRO N#Cc1csc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1 ZINC000177033482 823355344 /nfs/dbraw/zinc/35/53/44/823355344.db2.gz GDTKZMOAVAGTOT-UHFFFAOYSA-N 1 0 396.516 4.077 20 30 GIEDRO N#CCCn1cc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000572536567 823356816 /nfs/dbraw/zinc/35/68/16/823356816.db2.gz QDEBQJVCZUQFCQ-HSZRJFAPSA-N 1 0 397.526 4.101 20 30 GIEDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572538970 823357238 /nfs/dbraw/zinc/35/72/38/823357238.db2.gz PICUYBFSEALOMW-PMACEKPBSA-N 1 0 386.902 4.449 20 30 GIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000177045718 823358811 /nfs/dbraw/zinc/35/88/11/823358811.db2.gz LIQKICODVGEVAV-NRFANRHFSA-N 1 0 387.487 4.094 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 ZINC000022199460 818782642 /nfs/dbraw/zinc/78/26/42/818782642.db2.gz XWGMGXAUSLEAOD-UHFFFAOYSA-N 1 0 379.938 4.284 20 30 GIEDRO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1 ZINC000023354871 818926807 /nfs/dbraw/zinc/92/68/07/818926807.db2.gz ZVSYBBANVMKYRY-UHFFFAOYSA-N 1 0 392.506 4.415 20 30 GIEDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000572648104 823374996 /nfs/dbraw/zinc/37/49/96/823374996.db2.gz OBUFWYNZBDEJNU-UHFFFAOYSA-N 1 0 386.451 4.214 20 30 GIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678932 818973083 /nfs/dbraw/zinc/97/30/83/818973083.db2.gz GSPJSTAQYUKWTF-PXDATVDWSA-N 1 0 398.462 4.423 20 30 GIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122656105 823389033 /nfs/dbraw/zinc/38/90/33/823389033.db2.gz ZIBCKBLXAMXIAF-YADARESESA-N 1 0 379.500 4.114 20 30 GIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000122699996 823397063 /nfs/dbraw/zinc/39/70/63/823397063.db2.gz ZHXCGNQRIYMQHH-ZIAGYGMSSA-N 1 0 391.393 4.177 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122705096 823398014 /nfs/dbraw/zinc/39/80/14/823398014.db2.gz AOEOCWCBVUQBTL-IMWIBFENSA-N 1 0 394.515 4.392 20 30 GIEDRO C=C(C)COc1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000189471612 823424399 /nfs/dbraw/zinc/42/43/99/823424399.db2.gz QAFGKIWZUGDGHU-UHFFFAOYSA-N 1 0 386.458 4.014 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cccc(C#N)c1 ZINC000572952145 823425965 /nfs/dbraw/zinc/42/59/65/823425965.db2.gz HGWKOJVDHCAVGN-KSSFIOAISA-N 1 0 378.426 4.366 20 30 GIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460555816 823431072 /nfs/dbraw/zinc/43/10/72/823431072.db2.gz ROEQUEGVWOJOFC-CTNGQTDRSA-N 1 0 381.568 4.062 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573021100 823434666 /nfs/dbraw/zinc/43/46/66/823434666.db2.gz KRZHOWVZPTUYBH-NQIIRXRSSA-N 1 0 379.552 4.221 20 30 GIEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000189522536 823436710 /nfs/dbraw/zinc/43/67/10/823436710.db2.gz FKVMSTZYXXCZKW-UHFFFAOYSA-N 1 0 393.556 4.407 20 30 GIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573037216 823437936 /nfs/dbraw/zinc/43/79/36/823437936.db2.gz BINPCPOGKWNQKV-DOTOQJQBSA-N 1 0 382.439 4.234 20 30 GIEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000177347714 823441882 /nfs/dbraw/zinc/44/18/82/823441882.db2.gz RRCJHTODBIGMIC-UHFFFAOYSA-N 1 0 389.455 4.353 20 30 GIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000026312679 820081169 /nfs/dbraw/zinc/08/11/69/820081169.db2.gz MQPXGBKHJPVECH-HSZRJFAPSA-N 1 0 379.504 4.295 20 30 GIEDRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1)O[C@H](C)C2 ZINC000026314047 820081470 /nfs/dbraw/zinc/08/14/70/820081470.db2.gz MHAOSNVPTAZLPW-QGZVFWFLSA-N 1 0 379.504 4.048 20 30 GIEDRO C[N@H+](CCOc1ccc(Cl)cc1Br)Cc1cccc(C#N)c1 ZINC000026326437 820084019 /nfs/dbraw/zinc/08/40/19/820084019.db2.gz VWQXHHAOAIZRGC-UHFFFAOYSA-N 1 0 379.685 4.485 20 30 GIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](CC(C)C)CC(C)C)c1C#N ZINC000026647579 820128144 /nfs/dbraw/zinc/12/81/44/820128144.db2.gz NKSMCKJRLLUNPU-UHFFFAOYSA-N 1 0 384.524 4.170 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)Nc2ccccc2OC)[n+]2ccccc2)c1 ZINC000027054389 820186409 /nfs/dbraw/zinc/18/64/09/820186409.db2.gz UYXMSEUHPRJLJG-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(CC)cc1 ZINC000027058947 820187230 /nfs/dbraw/zinc/18/72/30/820187230.db2.gz YQPLTUAVXJPKAD-UHFFFAOYSA-O 1 0 381.565 4.485 20 30 GIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000027075557 820190275 /nfs/dbraw/zinc/19/02/75/820190275.db2.gz XHTFLHJOQRZETN-UHFFFAOYSA-O 1 0 391.516 4.020 20 30 GIEDRO COc1ccccc1C(=O)C(C(=S)Nc1ccccc1F)[n+]1ccc(C)cc1 ZINC000027161711 820203512 /nfs/dbraw/zinc/20/35/12/820203512.db2.gz NZCPVYLWAFTSEA-UHFFFAOYSA-O 1 0 395.479 4.481 20 30 GIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027329453 820225222 /nfs/dbraw/zinc/22/52/22/820225222.db2.gz JKXQZRVMKROBNU-UHFFFAOYSA-O 1 0 379.549 4.324 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cccc(OC)c1)C(=S)NC1CCCCC1 ZINC000027329099 820225230 /nfs/dbraw/zinc/22/52/30/820225230.db2.gz ZSNVGBWXUXTHAQ-UHFFFAOYSA-O 1 0 397.564 4.406 20 30 GIEDRO COc1cccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccccc2)c1 ZINC000027485337 820250655 /nfs/dbraw/zinc/25/06/55/820250655.db2.gz IEMRZXKPTMIURL-QFBILLFUSA-O 1 0 383.537 4.090 20 30 GIEDRO C[NH+](C)CCCN(C(=O)c1ccc(C#N)[nH]1)C(c1ccccc1)c1ccccc1 ZINC000123139989 823468940 /nfs/dbraw/zinc/46/89/40/823468940.db2.gz VNTBTQWZFJOVSX-UHFFFAOYSA-N 1 0 386.499 4.070 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000573407291 823489367 /nfs/dbraw/zinc/48/93/67/823489367.db2.gz KBYIOSFWPHFOCG-UHFFFAOYSA-N 1 0 378.907 4.324 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2ccccc2)no1 ZINC000123261160 823487161 /nfs/dbraw/zinc/48/71/61/823487161.db2.gz SJFDMAFBINLYAS-KRWDZBQOSA-N 1 0 376.460 4.312 20 30 GIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000030454926 820618668 /nfs/dbraw/zinc/61/86/68/820618668.db2.gz YGLCJOWTQSFGCY-HOTGVXAUSA-N 1 0 381.476 4.032 20 30 GIEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000573465687 823492896 /nfs/dbraw/zinc/49/28/96/823492896.db2.gz IGFZZDBARXMEJP-MRXNPFEDSA-N 1 0 383.293 4.079 20 30 GIEDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000031121654 820746317 /nfs/dbraw/zinc/74/63/17/820746317.db2.gz MIVPXYKRUNZPEI-IBGZPJMESA-N 1 0 390.531 4.351 20 30 GIEDRO CCOc1c(OC)cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000177715595 823515987 /nfs/dbraw/zinc/51/59/87/823515987.db2.gz AHNCNPBGQARMDA-UHFFFAOYSA-N 1 0 393.405 4.263 20 30 GIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000190023599 823527531 /nfs/dbraw/zinc/52/75/31/823527531.db2.gz GLCHMKHZOVOTKG-KFKAGJAMSA-N 1 0 377.529 4.115 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1NC(C)=O ZINC000177822659 823531161 /nfs/dbraw/zinc/53/11/61/823531161.db2.gz KBTUIINCZHFICY-HNNXBMFYSA-N 1 0 383.517 4.109 20 30 GIEDRO N#Cc1ccc(CCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000041400091 821187918 /nfs/dbraw/zinc/18/79/18/821187918.db2.gz CQFZKDQMNLGSAN-NRFANRHFSA-N 1 0 381.907 4.098 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2ccccc2)cc1 ZINC000041466223 821194825 /nfs/dbraw/zinc/19/48/25/821194825.db2.gz AISHENQBWDFOCD-UHFFFAOYSA-O 1 0 393.488 4.042 20 30 GIEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322494 821300314 /nfs/dbraw/zinc/30/03/14/821300314.db2.gz SUDUAMJAHQJZAD-VGOFRKELSA-N 1 0 394.519 4.010 20 30 GIEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741005 821329241 /nfs/dbraw/zinc/32/92/41/821329241.db2.gz YKDDPKLQXDTNLL-SFHVURJKSA-N 1 0 376.504 4.180 20 30 GIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000043183014 821375623 /nfs/dbraw/zinc/37/56/23/821375623.db2.gz FCGFPTKKBOWWCU-MRXNPFEDSA-N 1 0 384.911 4.046 20 30 GIEDRO CC(C)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043192319 821376953 /nfs/dbraw/zinc/37/69/53/821376953.db2.gz GBOMKWHKFQSRDW-UHFFFAOYSA-N 1 0 376.504 4.421 20 30 GIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231988 821378521 /nfs/dbraw/zinc/37/85/21/821378521.db2.gz ZVVXMNKSQWRXDR-QGZVFWFLSA-N 1 0 375.563 4.344 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307178 821389839 /nfs/dbraw/zinc/38/98/39/821389839.db2.gz NEZYXQQHXFCEJX-OAQYLSRUSA-N 1 0 396.922 4.190 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)ccc1OC ZINC000180810365 821471581 /nfs/dbraw/zinc/47/15/81/821471581.db2.gz PPECWNQTCMOTQR-QFBILLFUSA-N 1 0 396.487 4.216 20 30 GIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000043875773 821481299 /nfs/dbraw/zinc/48/12/99/821481299.db2.gz BEWWYNUANWHSGD-KRWDZBQOSA-N 1 0 390.487 4.139 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000180905565 821528415 /nfs/dbraw/zinc/52/84/15/821528415.db2.gz IMGGXIOJDXAAJE-LJQANCHMSA-N 1 0 384.483 4.346 20 30 GIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180958085 821556542 /nfs/dbraw/zinc/55/65/42/821556542.db2.gz FDLWXXFZXGOKAU-CQSZACIVSA-N 1 0 391.393 4.179 20 30 GIEDRO C[C@@H](CCO)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000180984259 821574163 /nfs/dbraw/zinc/57/41/63/821574163.db2.gz RDCQRNOETSUYCY-IBGZPJMESA-N 1 0 389.499 4.011 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000181130907 821651654 /nfs/dbraw/zinc/65/16/54/821651654.db2.gz RXGMBYDYMFEGCJ-NEPJUHHUSA-N 1 0 390.281 4.208 20 30 GIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181215122 821702038 /nfs/dbraw/zinc/70/20/38/821702038.db2.gz BQFWMKXHJZGGGC-OAHLLOKOSA-N 1 0 388.389 4.364 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3N3CCCCC3)CC2)cc1 ZINC000181267603 821725023 /nfs/dbraw/zinc/72/50/23/821725023.db2.gz CURBWJQVQWMAMH-UHFFFAOYSA-N 1 0 388.559 4.303 20 30 GIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000181394588 821804651 /nfs/dbraw/zinc/80/46/51/821804651.db2.gz PMVOSWJIIMLMNB-HUUCEWRRSA-N 1 0 399.491 4.243 20 30 GIEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCCC2)cc1 ZINC000181399390 821806728 /nfs/dbraw/zinc/80/67/28/821806728.db2.gz VWRUKTOODOGYMX-NTKDMRAZSA-N 1 0 393.531 4.475 20 30 GIEDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000181401172 821807524 /nfs/dbraw/zinc/80/75/24/821807524.db2.gz QNYAGGSYOFTVJE-MBSDFSHPSA-N 1 0 379.504 4.085 20 30 GIEDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000181401210 821807598 /nfs/dbraw/zinc/80/75/98/821807598.db2.gz QNYAGGSYOFTVJE-FDDCHVKYSA-N 1 0 379.504 4.085 20 30 GIEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000181407748 821809637 /nfs/dbraw/zinc/80/96/37/821809637.db2.gz ZMCVWHYISLHAAQ-JPYJTQIMSA-N 1 0 379.504 4.085 20 30 GIEDRO C[C@@H](OCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181420470 821817519 /nfs/dbraw/zinc/81/75/19/821817519.db2.gz BYOHGXZVHVWVDZ-HXUWFJFHSA-N 1 0 377.532 4.280 20 30 GIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181554260 821879197 /nfs/dbraw/zinc/87/91/97/821879197.db2.gz GVWKKBKWODDUBS-QFIPXVFZSA-N 1 0 391.515 4.035 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000181606706 821900483 /nfs/dbraw/zinc/90/04/83/821900483.db2.gz WMAIRFILNGVZPK-OAQYLSRUSA-N 1 0 381.907 4.289 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000181827485 822009129 /nfs/dbraw/zinc/00/91/29/822009129.db2.gz FBCZGBJLQLUFQH-SFHVURJKSA-N 1 0 394.475 4.118 20 30 GIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181974914 822049745 /nfs/dbraw/zinc/04/97/45/822049745.db2.gz DIHPAILRUYZHQY-GOSISDBHSA-N 1 0 387.531 4.243 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000182000064 822058288 /nfs/dbraw/zinc/05/82/88/822058288.db2.gz SCUCNCZDOKUZPA-UHFFFAOYSA-N 1 0 397.444 4.183 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1F ZINC000182012223 822061964 /nfs/dbraw/zinc/06/19/64/822061964.db2.gz AMJITDYZAHLVGZ-KRWDZBQOSA-N 1 0 383.467 4.049 20 30 GIEDRO CCN(CC)C(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182027365 822067108 /nfs/dbraw/zinc/06/71/08/822067108.db2.gz JPCXMGKWMOSBQY-UHFFFAOYSA-N 1 0 390.531 4.117 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(-c4ccccn4)c3)CC2)cc1 ZINC000182052115 822074951 /nfs/dbraw/zinc/07/49/51/822074951.db2.gz OBNQMRKVOSQXKP-UHFFFAOYSA-N 1 0 382.511 4.374 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000178044333 822297208 /nfs/dbraw/zinc/29/72/08/822297208.db2.gz CVILWODCALRBMR-INIZCTEOSA-N 1 0 396.466 4.295 20 30 GIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000178044342 822297244 /nfs/dbraw/zinc/29/72/44/822297244.db2.gz CVILWODCALRBMR-MRXNPFEDSA-N 1 0 396.466 4.295 20 30 GIEDRO C=CCn1c(CC2CCCC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453427769 822361626 /nfs/dbraw/zinc/36/16/26/822361626.db2.gz WSRQNXBQLRHDDU-UHFFFAOYSA-N 1 0 399.505 4.050 20 30 GIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000178369168 822371883 /nfs/dbraw/zinc/37/18/83/822371883.db2.gz RTSZLQPWEYOPHX-CQSZACIVSA-N 1 0 376.850 4.495 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000178394433 822374969 /nfs/dbraw/zinc/37/49/69/822374969.db2.gz XEWTZOYATWGULO-UHFFFAOYSA-N 1 0 396.329 4.008 20 30 GIEDRO [NH2+]=C(NCc1ccc(OC(F)F)cc1)Nc1ccccc1OC(F)(F)F ZINC000178573520 822393167 /nfs/dbraw/zinc/39/31/67/822393167.db2.gz IYYFLVODGRYCIM-UHFFFAOYSA-N 1 0 375.297 4.113 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938645 822396443 /nfs/dbraw/zinc/39/64/43/822396443.db2.gz IEBOJIRKOFUWBF-WMZOPIPTSA-N 1 0 384.524 4.120 20 30 GIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178670205 822401390 /nfs/dbraw/zinc/40/13/90/822401390.db2.gz CVLUFWRPPVOYEM-UTKZUKDTSA-N 1 0 394.475 4.279 20 30 GIEDRO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000454353221 822461041 /nfs/dbraw/zinc/46/10/41/822461041.db2.gz UATGXWJSORLJAG-UHFFFAOYSA-N 1 0 375.516 4.039 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316256 822465095 /nfs/dbraw/zinc/46/50/95/822465095.db2.gz SAYGMQCMWTXWTP-GJZGRUSLSA-N 1 0 383.458 4.147 20 30 GIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594336 822509114 /nfs/dbraw/zinc/50/91/14/822509114.db2.gz VBXBKYRQNYSKTA-RPDKDSDNSA-N 1 0 379.504 4.434 20 30 GIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000179594317 822509140 /nfs/dbraw/zinc/50/91/40/822509140.db2.gz VBXBKYRQNYSKTA-FUSARCQNSA-N 1 0 379.504 4.434 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000179611671 822512730 /nfs/dbraw/zinc/51/27/30/822512730.db2.gz XDDILROZOTYCQW-LLVKDONJSA-N 1 0 379.794 4.102 20 30 GIEDRO C[N@H+](CCCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000454712593 822521959 /nfs/dbraw/zinc/52/19/59/822521959.db2.gz BHHPLJJONTVJOF-UHFFFAOYSA-N 1 0 378.476 4.346 20 30 GIEDRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000046886800 822526889 /nfs/dbraw/zinc/52/68/89/822526889.db2.gz ROPMGWJIXCHPBF-HXUWFJFHSA-N 1 0 396.560 4.234 20 30 GIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000179686731 822527429 /nfs/dbraw/zinc/52/74/29/822527429.db2.gz SZBFGBDEAWQRAY-UHFFFAOYSA-N 1 0 376.928 4.129 20 30 GIEDRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C#N ZINC000183821578 822532158 /nfs/dbraw/zinc/53/21/58/822532158.db2.gz BECXNIDFIGLPAI-CABCVRRESA-N 1 0 399.516 4.058 20 30 GIEDRO N#CC1(c2ccc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2)CC1 ZINC000179884256 822571471 /nfs/dbraw/zinc/57/14/71/822571471.db2.gz YWOVHRPVDSAGLS-NRFANRHFSA-N 1 0 393.918 4.462 20 30 GIEDRO CCc1nnc(-c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000179958520 822585667 /nfs/dbraw/zinc/58/56/67/822585667.db2.gz VMQSSMMFOGZYLS-UHFFFAOYSA-N 1 0 387.487 4.247 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180027394 822600095 /nfs/dbraw/zinc/60/00/95/822600095.db2.gz AWFFBSPMKDRHNZ-SFHVURJKSA-N 1 0 384.524 4.097 20 30 GIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(C#N)c1C ZINC000180068299 822608462 /nfs/dbraw/zinc/60/84/62/822608462.db2.gz WUPZQXKNGLAKCC-GOSISDBHSA-N 1 0 391.393 4.466 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000184302897 822611017 /nfs/dbraw/zinc/61/10/17/822611017.db2.gz PBSOIENLKHODPA-MOPGFXCFSA-N 1 0 392.503 4.106 20 30 GIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180081436 822611438 /nfs/dbraw/zinc/61/14/38/822611438.db2.gz ZEDQEWNUEIBTQJ-KRWDZBQOSA-N 1 0 380.492 4.141 20 30 GIEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184310748 822612337 /nfs/dbraw/zinc/61/23/37/822612337.db2.gz HQEFXHYFUIHZGL-IBGZPJMESA-N 1 0 394.519 4.353 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000180089584 822613072 /nfs/dbraw/zinc/61/30/72/822613072.db2.gz KFPUGQAXUAEKFJ-OALUTQOASA-N 1 0 392.503 4.106 20 30 GIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OCC(C)C ZINC000180091800 822613765 /nfs/dbraw/zinc/61/37/65/822613765.db2.gz MNTNAEUWRJWJPI-HNNXBMFYSA-N 1 0 399.491 4.101 20 30 GIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C)cs1 ZINC000184350808 822620394 /nfs/dbraw/zinc/62/03/94/822620394.db2.gz NAPCUGBQOWMFJY-HNNXBMFYSA-N 1 0 388.562 4.333 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000184357485 822621518 /nfs/dbraw/zinc/62/15/18/822621518.db2.gz DDACGAQGCNTOMP-SFHVURJKSA-N 1 0 392.503 4.011 20 30 GIEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000184358583 822621784 /nfs/dbraw/zinc/62/17/84/822621784.db2.gz MGNFLUIYEGLKON-SFHVURJKSA-N 1 0 384.524 4.097 20 30 GIEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000184358606 822621803 /nfs/dbraw/zinc/62/18/03/822621803.db2.gz MGNFLUIYEGLKON-GOSISDBHSA-N 1 0 384.524 4.097 20 30 GIEDRO Cn1cc(C[NH2+]Cc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180140873 822624779 /nfs/dbraw/zinc/62/47/79/822624779.db2.gz XDFYHUDPBUREPW-UHFFFAOYSA-N 1 0 381.277 4.011 20 30 GIEDRO C=CC[C@@H](C)[NH2+][C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000180173938 822632450 /nfs/dbraw/zinc/63/24/50/822632450.db2.gz NOZWXUOXGXJAJY-CZUORRHYSA-N 1 0 395.288 4.151 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184521659 822650204 /nfs/dbraw/zinc/65/02/04/822650204.db2.gz FMQYKXSTCOAARP-OAHLLOKOSA-N 1 0 379.485 4.420 20 30 GIEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000180362845 822670657 /nfs/dbraw/zinc/67/06/57/822670657.db2.gz CWCJSKJHFHHUQQ-LAUBAEHRSA-N 1 0 382.504 4.376 20 30 GIEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCN2C2CC2)c1 ZINC000180375972 822672066 /nfs/dbraw/zinc/67/20/66/822672066.db2.gz QBVPQVHWUXLIIF-YRUKQIKQSA-N 1 0 391.515 4.054 20 30 GIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000184666047 822672939 /nfs/dbraw/zinc/67/29/39/822672939.db2.gz HNJZJXZKEDTQKC-UHFFFAOYSA-N 1 0 386.446 4.331 20 30 GIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC000180422383 822678829 /nfs/dbraw/zinc/67/88/29/822678829.db2.gz RYAJMLMZCPMOFC-UHFFFAOYSA-N 1 0 383.879 4.088 20 30 GIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180425750 822679501 /nfs/dbraw/zinc/67/95/01/822679501.db2.gz SZLZEAFBPLALIW-HUUCEWRRSA-N 1 0 398.488 4.136 20 30 GIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)[NH+]2CCCC2)o1 ZINC000455694554 822704263 /nfs/dbraw/zinc/70/42/63/822704263.db2.gz ACAVGADXAKOMHA-SFHVURJKSA-N 1 0 386.883 4.266 20 30 GIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704676 822707768 /nfs/dbraw/zinc/70/77/68/822707768.db2.gz NWBGWHLMVAKASU-YJBOKZPZSA-N 1 0 382.895 4.363 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604084 822710001 /nfs/dbraw/zinc/71/00/01/822710001.db2.gz LDIWXTBRCZHWNF-KRWDZBQOSA-N 1 0 397.494 4.153 20 30 GIEDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000455733658 822716502 /nfs/dbraw/zinc/71/65/02/822716502.db2.gz NVOLVZVCTSISBO-BEFAXECRSA-N 1 0 382.895 4.191 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000455734242 822716699 /nfs/dbraw/zinc/71/66/99/822716699.db2.gz OPUFZKBDGCKBBE-KRWDZBQOSA-N 1 0 396.922 4.392 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000050107843 822718599 /nfs/dbraw/zinc/71/85/99/822718599.db2.gz NAAGYVUYWXQJPZ-UHFFFAOYSA-N 1 0 398.894 4.006 20 30 GIEDRO N#CCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000455747650 822719097 /nfs/dbraw/zinc/71/90/97/822719097.db2.gz IUUBOSLOYDJGHU-UHFFFAOYSA-N 1 0 382.895 4.324 20 30 GIEDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455876456 822741057 /nfs/dbraw/zinc/74/10/57/822741057.db2.gz OMOFGCJKJRKAOX-AUSIDOKSSA-N 1 0 389.543 4.296 20 30 GIEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000455944124 822755080 /nfs/dbraw/zinc/75/50/80/822755080.db2.gz MQRPOBOFNMNVSD-UHFFFAOYSA-N 1 0 392.931 4.264 20 30 GIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc21 ZINC000456285557 822794398 /nfs/dbraw/zinc/79/43/98/822794398.db2.gz URBXLMDRTWCCNV-QFIPXVFZSA-N 1 0 377.488 4.295 20 30 GIEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174495135 822796656 /nfs/dbraw/zinc/79/66/56/822796656.db2.gz VFRRKVHRIYLWAJ-UHFFFAOYSA-N 1 0 382.439 4.048 20 30 GIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1C ZINC000052467993 822800776 /nfs/dbraw/zinc/80/07/76/822800776.db2.gz SFWFUZBFORXKGS-UHFFFAOYSA-N 1 0 391.515 4.135 20 30 GIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1ccccc1F ZINC000174601841 822810794 /nfs/dbraw/zinc/81/07/94/822810794.db2.gz GHQYQNYHMNYOBN-QGZVFWFLSA-N 1 0 378.451 4.160 20 30 GIEDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000174607160 822811706 /nfs/dbraw/zinc/81/17/06/822811706.db2.gz BXOUPJGMHCTQGT-GOSISDBHSA-N 1 0 390.487 4.029 20 30 GIEDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000174612712 822812456 /nfs/dbraw/zinc/81/24/56/822812456.db2.gz VPYOEIKNVOJQCC-UHFFFAOYSA-N 1 0 398.532 4.068 20 30 GIEDRO CCC[N@H+](CC)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000174666142 822820845 /nfs/dbraw/zinc/82/08/45/822820845.db2.gz NSRPPHYLPMQLQD-UHFFFAOYSA-N 1 0 381.545 4.312 20 30 GIEDRO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCCC(C)(C)C#N)CC3)n2)cc1 ZINC000174818854 822841650 /nfs/dbraw/zinc/84/16/50/822841650.db2.gz PKNWQBVDPLRFGB-GOSISDBHSA-N 1 0 381.524 4.054 20 30 GIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000186046214 822846993 /nfs/dbraw/zinc/84/69/93/822846993.db2.gz LAIFTNFHQQBYNW-QFIPXVFZSA-N 1 0 379.529 4.338 20 30 GIEDRO C=CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000186177071 822858283 /nfs/dbraw/zinc/85/82/83/822858283.db2.gz AAYYVJMGODXYLS-JOCHJYFZSA-N 1 0 377.532 4.435 20 30 GIEDRO C=CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000186181401 822858635 /nfs/dbraw/zinc/85/86/35/822858635.db2.gz DKXCKPFPOCSZER-JOCHJYFZSA-N 1 0 377.532 4.435 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286953 822870990 /nfs/dbraw/zinc/87/09/90/822870990.db2.gz SLLOBLRTWPUTDQ-FQEVSTJZSA-N 1 0 376.504 4.209 20 30 GIEDRO CC(C)c1cccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457697197 822907938 /nfs/dbraw/zinc/90/79/38/822907938.db2.gz TVEPFDZMTVYCBC-UHFFFAOYSA-N 1 0 375.516 4.027 20 30 GIEDRO N#Cc1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Oc1ccccc1 ZINC000569437778 822923094 /nfs/dbraw/zinc/92/30/94/822923094.db2.gz HLDDJBJVNFAQPL-UHFFFAOYSA-N 1 0 390.487 4.348 20 30 GIEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC(C)C)cc1 ZINC000055009708 822930529 /nfs/dbraw/zinc/93/05/29/822930529.db2.gz KQIMOJLZCWNCIH-UHFFFAOYSA-O 1 0 377.480 4.142 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000055012731 822930948 /nfs/dbraw/zinc/93/09/48/822930948.db2.gz BWASBFDECARNII-UHFFFAOYSA-O 1 0 379.549 4.266 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NCCCSC ZINC000055013055 822931267 /nfs/dbraw/zinc/93/12/67/822931267.db2.gz RCLHBJJYVPELRD-UHFFFAOYSA-O 1 0 387.594 4.126 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)cc1C ZINC000055027259 822932283 /nfs/dbraw/zinc/93/22/83/822932283.db2.gz IAZFBAWZFVWDDS-UHFFFAOYSA-O 1 0 381.546 4.381 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569515612 822932833 /nfs/dbraw/zinc/93/28/33/822932833.db2.gz LQVUYEAXUHHEBD-UHFFFAOYSA-N 1 0 386.421 4.013 20 30 GIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000186692013 822938319 /nfs/dbraw/zinc/93/83/19/822938319.db2.gz BLTDOTDDHWIXDQ-WCQYABFASA-N 1 0 381.339 4.469 20 30 GIEDRO C=CCOc1ccc(Br)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000458034358 822952409 /nfs/dbraw/zinc/95/24/09/822952409.db2.gz LUBAMMRQLBSJJW-UHFFFAOYSA-N 1 0 381.314 4.073 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000186849216 822967229 /nfs/dbraw/zinc/96/72/29/822967229.db2.gz FXXCUXXNDCEQJG-OAQYLSRUSA-N 1 0 387.449 4.458 20 30 GIEDRO C[NH+]1CCC(CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175498713 822984168 /nfs/dbraw/zinc/98/41/68/822984168.db2.gz FBHLZLJUVIITGP-UHFFFAOYSA-N 1 0 379.529 4.171 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186963777 822988315 /nfs/dbraw/zinc/98/83/15/822988315.db2.gz IHUGBBLNVPLZJH-UHFFFAOYSA-O 1 0 388.557 4.203 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1ccccc1)[n+]1ccc(C)cc1 ZINC000186963499 822988386 /nfs/dbraw/zinc/98/83/86/822988386.db2.gz RQJAVFRAJYJWQP-OAHLLOKOSA-O 1 0 394.520 4.177 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cc(C)ccc1F)[n+]1ccc(C)cc1 ZINC000186964572 822988599 /nfs/dbraw/zinc/98/85/99/822988599.db2.gz PHDPUHIUGOAPGR-UHFFFAOYSA-O 1 0 398.483 4.386 20 30 GIEDRO Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OCC[NH+]1CCCC1 ZINC000187122833 823013943 /nfs/dbraw/zinc/01/39/43/823013943.db2.gz GDDNJOLIYSZWTP-UHFFFAOYSA-N 1 0 389.499 4.012 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460932746 823545135 /nfs/dbraw/zinc/54/51/35/823545135.db2.gz JFPQQNLQLSIUSG-UHFFFAOYSA-N 1 0 392.551 4.313 20 30 GIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460936708 823546259 /nfs/dbraw/zinc/54/62/59/823546259.db2.gz MUCAYHMPPCXFBH-UHFFFAOYSA-N 1 0 397.567 4.052 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460948459 823548725 /nfs/dbraw/zinc/54/87/25/823548725.db2.gz WKRGESSPKAGLEE-MSOLQXFVSA-N 1 0 392.551 4.312 20 30 GIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411164558 823553425 /nfs/dbraw/zinc/55/34/25/823553425.db2.gz HWVVCBYPSIUIGK-HNNXBMFYSA-N 1 0 392.528 4.219 20 30 GIEDRO N#CCCCOc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123938325 823553508 /nfs/dbraw/zinc/55/35/08/823553508.db2.gz NKMUQLANEMRISQ-UHFFFAOYSA-N 1 0 378.501 4.220 20 30 GIEDRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc12 ZINC000411202680 823557124 /nfs/dbraw/zinc/55/71/24/823557124.db2.gz WPHSRJOCIODFQK-UHFFFAOYSA-N 1 0 383.495 4.368 20 30 GIEDRO N#Cc1cccc([C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCO2)c1 ZINC000411409207 823571257 /nfs/dbraw/zinc/57/12/57/823571257.db2.gz AOUAXLBFMKTPLD-XMMPIXPASA-N 1 0 375.516 4.118 20 30 GIEDRO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1c[nH]c2ccccc12 ZINC000190475770 823579179 /nfs/dbraw/zinc/57/91/79/823579179.db2.gz QPCUFPQLBKERFR-UHFFFAOYSA-N 1 0 378.501 4.244 20 30 GIEDRO C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061157799 823581155 /nfs/dbraw/zinc/58/11/55/823581155.db2.gz JKVNVZBHGNAKSH-UHFFFAOYSA-N 1 0 377.532 4.045 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCN(c4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000411521279 823584348 /nfs/dbraw/zinc/58/43/48/823584348.db2.gz SQVZLQPGYJNFQS-YWZLYKJASA-N 1 0 389.455 4.078 20 30 GIEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411577255 823588997 /nfs/dbraw/zinc/58/89/97/823588997.db2.gz ZIDFAUYQCFPRSU-GOSISDBHSA-N 1 0 389.565 4.083 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000190625181 823592865 /nfs/dbraw/zinc/59/28/65/823592865.db2.gz RBTUGAFOXWDNCR-KUHUBIRLSA-N 1 0 393.874 4.410 20 30 GIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(Br)c(Br)c2)c1 ZINC000124515291 823602711 /nfs/dbraw/zinc/60/27/11/823602711.db2.gz SRUOCMOMZFHVJI-UHFFFAOYSA-N 1 0 380.083 4.373 20 30 GIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000461259026 823606618 /nfs/dbraw/zinc/60/66/18/823606618.db2.gz AIADYCAVOINMNI-QFIPXVFZSA-N 1 0 391.515 4.084 20 30 GIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781049 823608110 /nfs/dbraw/zinc/60/81/10/823608110.db2.gz VJCFLKJABFFKIB-HNNXBMFYSA-N 1 0 375.270 4.330 20 30 GIEDRO C=C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000124650853 823614290 /nfs/dbraw/zinc/61/42/90/823614290.db2.gz JPMKRSNGWMDCMW-OAQYLSRUSA-N 1 0 378.516 4.189 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063288184 823660208 /nfs/dbraw/zinc/66/02/08/823660208.db2.gz RETJXJIDUHMZDW-UHFFFAOYSA-N 1 0 391.830 4.404 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000125289291 823665242 /nfs/dbraw/zinc/66/52/42/823665242.db2.gz TVPXOQJVCDIHBK-FQEVSTJZSA-N 1 0 382.895 4.365 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000063400452 823668031 /nfs/dbraw/zinc/66/80/31/823668031.db2.gz ZZOQJLLNZLNBIT-QHCPKHFHSA-N 1 0 390.531 4.339 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000063400871 823668165 /nfs/dbraw/zinc/66/81/65/823668165.db2.gz NZEUZBOOFWUWCQ-UHFFFAOYSA-N 1 0 390.531 4.298 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407943 823668993 /nfs/dbraw/zinc/66/89/93/823668993.db2.gz MEYVVOUOOGBLTN-UHFFFAOYSA-N 1 0 382.552 4.134 20 30 GIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CCCC1 ZINC000063505351 823676722 /nfs/dbraw/zinc/67/67/22/823676722.db2.gz MCXHEHCLQFRLJK-UHFFFAOYSA-N 1 0 396.510 4.367 20 30 GIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)sc2c1CCC2 ZINC000063508015 823676934 /nfs/dbraw/zinc/67/69/34/823676934.db2.gz YIQDDOOEPGOJTN-QGZVFWFLSA-N 1 0 397.519 4.283 20 30 GIEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063750804 823693568 /nfs/dbraw/zinc/69/35/68/823693568.db2.gz DZXRCSCGAAJRRL-UHFFFAOYSA-N 1 0 380.879 4.323 20 30 GIEDRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 ZINC000063750298 823693508 /nfs/dbraw/zinc/69/35/08/823693508.db2.gz ZQHFULYODNWULU-BDNZGDGKSA-N 1 0 394.515 4.250 20 30 GIEDRO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C(C)C)cc1 ZINC000063750821 823693514 /nfs/dbraw/zinc/69/35/14/823693514.db2.gz XJOWNGZIANWCCK-DEOSSOPVSA-N 1 0 393.531 4.291 20 30 GIEDRO CC(C)C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000574316140 823701571 /nfs/dbraw/zinc/70/15/71/823701571.db2.gz IYFVXLBNEKGDJD-KNQAVFIVSA-N 1 0 384.568 4.477 20 30 GIEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000063852790 823702552 /nfs/dbraw/zinc/70/25/52/823702552.db2.gz DMYZJPJKXSKHPL-KRWDZBQOSA-N 1 0 379.529 4.171 20 30 GIEDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919630 823754924 /nfs/dbraw/zinc/75/49/24/823754924.db2.gz GKLPBRAWMPGGKP-XXBNENTESA-N 1 0 375.516 4.251 20 30 GIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462027862 823801112 /nfs/dbraw/zinc/80/11/12/823801112.db2.gz OLEADURUACWOJV-KRWDZBQOSA-N 1 0 379.529 4.158 20 30 GIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462049197 823812250 /nfs/dbraw/zinc/81/22/50/823812250.db2.gz XBOUXJFRNNGUAJ-AWEZNQCLSA-N 1 0 397.332 4.239 20 30 GIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21 ZINC000165032758 823830986 /nfs/dbraw/zinc/83/09/86/823830986.db2.gz YQIQNXFIEOGBFS-RXVVDRJESA-N 1 0 390.487 4.299 20 30 GIEDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064613971 823852779 /nfs/dbraw/zinc/85/27/79/823852779.db2.gz AEBKUBAIEMAOQA-UHFFFAOYSA-N 1 0 384.476 4.075 20 30 GIEDRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1OCCCC#N ZINC000064613959 823852919 /nfs/dbraw/zinc/85/29/19/823852919.db2.gz YXRUOTHULZCKTG-UHFFFAOYSA-N 1 0 395.503 4.384 20 30 GIEDRO O=C(Nc1ccccc1Br)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192097786 823858858 /nfs/dbraw/zinc/85/88/58/823858858.db2.gz DIORMLCYTSZRNC-UHFFFAOYSA-N 1 0 397.316 4.151 20 30 GIEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000064742887 823877724 /nfs/dbraw/zinc/87/77/24/823877724.db2.gz QYRPKTKGSUIVGW-QGZVFWFLSA-N 1 0 392.503 4.120 20 30 GIEDRO COc1cc(C[NH2+]CCSCc2ccccc2C#N)ccc1OC(F)F ZINC000170670775 823931947 /nfs/dbraw/zinc/93/19/47/823931947.db2.gz RLXHGLXNIUAFNG-UHFFFAOYSA-N 1 0 378.444 4.191 20 30 GIEDRO CC1(C#N)CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000414345574 823961644 /nfs/dbraw/zinc/96/16/44/823961644.db2.gz DSQUUIHGQYWDFC-UHFFFAOYSA-N 1 0 390.369 4.476 20 30 GIEDRO C[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462434493 823973864 /nfs/dbraw/zinc/97/38/64/823973864.db2.gz CXGKXLDESBWSIV-SIKLNZKXSA-N 1 0 375.516 4.080 20 30 GIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126917493 823980049 /nfs/dbraw/zinc/98/00/49/823980049.db2.gz SNKALUJAGOJYDM-SFHVURJKSA-N 1 0 391.540 4.267 20 30 GIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000126974678 823992935 /nfs/dbraw/zinc/99/29/35/823992935.db2.gz LGSTUSWLZBGZAC-JXFKEZNVSA-N 1 0 396.922 4.411 20 30 GIEDRO COc1ccccc1CNC(=[NH2+])NCc1ccccc1COCc1ccccc1 ZINC000170912581 824004040 /nfs/dbraw/zinc/00/40/40/824004040.db2.gz ICIGXADMXIXSMJ-UHFFFAOYSA-N 1 0 389.499 4.017 20 30 GIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000414560088 824012356 /nfs/dbraw/zinc/01/23/56/824012356.db2.gz WCGASDKULLLPLE-REWPJTCUSA-N 1 0 386.499 4.366 20 30 GIEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414900402 824047619 /nfs/dbraw/zinc/04/76/19/824047619.db2.gz HGSZDPHVSDUTOW-PKOBYXMFSA-N 1 0 382.895 4.211 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000414901649 824048006 /nfs/dbraw/zinc/04/80/06/824048006.db2.gz IXCXJIIYSUGOKH-VCBZYWHSSA-N 1 0 382.895 4.210 20 30 GIEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000414902634 824048060 /nfs/dbraw/zinc/04/80/60/824048060.db2.gz KGUNFUUGLOGAOR-YIFZBPKDSA-N 1 0 396.922 4.444 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000414908652 824048602 /nfs/dbraw/zinc/04/86/02/824048602.db2.gz QNDMEHCEMUCSBH-DOTOQJQBSA-N 1 0 392.837 4.099 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2C)[n+]2cccc(C)c2)cn1 ZINC000171063824 824052902 /nfs/dbraw/zinc/05/29/02/824052902.db2.gz ATJHIKMUOVHDKG-UHFFFAOYSA-O 1 0 392.504 4.045 20 30 GIEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CC[NH2+]CC1 ZINC000414958025 824053872 /nfs/dbraw/zinc/05/38/72/824053872.db2.gz CQBGUARRBOHCJH-UHFFFAOYSA-N 1 0 384.867 4.220 20 30 GIEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414969770 824055616 /nfs/dbraw/zinc/05/56/16/824055616.db2.gz UATGFAMQBOPVDH-HIFRSBDPSA-N 1 0 384.867 4.205 20 30 GIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164733614 720432928 /nfs/dbraw/zinc/43/29/28/720432928.db2.gz PZYUXMSMJJEPBP-PMACEKPBSA-N 1 0 389.890 4.008 20 30 GIEDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056162002 823093192 /nfs/dbraw/zinc/09/31/92/823093192.db2.gz PKMCIJBVHWNTPK-JKSUJKDBSA-N 1 0 381.476 4.033 20 30 GIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056161973 823093210 /nfs/dbraw/zinc/09/32/10/823093210.db2.gz UIWIBWCJRLWXLT-CVEARBPZSA-N 1 0 381.476 4.033 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176013767 823096041 /nfs/dbraw/zinc/09/60/41/823096041.db2.gz UJXZEORQCPJSMK-UHFFFAOYSA-N 1 0 393.556 4.464 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C1 ZINC000176014537 823096213 /nfs/dbraw/zinc/09/62/13/823096213.db2.gz ZOGYHJNIKLHRNL-SFHVURJKSA-N 1 0 393.556 4.464 20 30 GIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000121022290 823104322 /nfs/dbraw/zinc/10/43/22/823104322.db2.gz XFIDLTMLXMNAEW-GBXCKJPGSA-N 1 0 389.499 4.201 20 30 GIEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187666266 823109311 /nfs/dbraw/zinc/10/93/11/823109311.db2.gz RUBIDXONUDGCAG-AZUAARDMSA-N 1 0 376.504 4.461 20 30 GIEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176099637 823119981 /nfs/dbraw/zinc/11/99/81/823119981.db2.gz CVWXFPCTBSWZJW-PXNSSMCTSA-N 1 0 379.529 4.085 20 30 GIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121144936 823126747 /nfs/dbraw/zinc/12/67/47/823126747.db2.gz FCRVLKXSDAMJDP-KRWDZBQOSA-N 1 0 395.503 4.173 20 30 GIEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176137196 823132913 /nfs/dbraw/zinc/13/29/13/823132913.db2.gz RDPLGAKRGIIIQH-WIYYLYMNSA-N 1 0 394.515 4.043 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000571146143 823140403 /nfs/dbraw/zinc/14/04/03/823140403.db2.gz DRMDABABGJBHQP-HNAYVOBHSA-N 1 0 382.895 4.117 20 30 GIEDRO C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCCc4cc(C#N)ccc43)nc2)CC1 ZINC000571227583 823151930 /nfs/dbraw/zinc/15/19/30/823151930.db2.gz GGTWLVUSGSTWOC-QHCPKHFHSA-N 1 0 389.547 4.363 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000056595100 823177282 /nfs/dbraw/zinc/17/72/82/823177282.db2.gz BBLMSBCKAKFAHN-UHFFFAOYSA-N 1 0 376.460 4.099 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459369642 823174570 /nfs/dbraw/zinc/17/45/70/823174570.db2.gz ZICDJZLBTAGAMG-UHFFFAOYSA-N 1 0 386.521 4.003 20 30 GIEDRO C=C(C)CN1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459407216 823186093 /nfs/dbraw/zinc/18/60/93/823186093.db2.gz VESQEJICBVPDJB-UHFFFAOYSA-N 1 0 379.552 4.190 20 30 GIEDRO CC(C)c1ccc(-c2ncc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)s2)cc1 ZINC000121450668 823187056 /nfs/dbraw/zinc/18/70/56/823187056.db2.gz YZIDICJWXBEZFN-UHFFFAOYSA-N 1 0 394.548 4.175 20 30 GIEDRO C#CCOc1ccccc1NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000188121623 823189760 /nfs/dbraw/zinc/18/97/60/823189760.db2.gz BIIKPVXSCHDHFZ-NRFANRHFSA-N 1 0 391.515 4.075 20 30 GIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188151229 823194228 /nfs/dbraw/zinc/19/42/28/823194228.db2.gz PQEGNEDOCCEFCY-UHFFFAOYSA-N 1 0 387.527 4.138 20 30 GIEDRO N#CCC[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000188258405 823210336 /nfs/dbraw/zinc/21/03/36/823210336.db2.gz KMQHTTJHUUKQKH-AJTFCVKESA-N 1 0 387.483 4.228 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000176532667 823231060 /nfs/dbraw/zinc/23/10/60/823231060.db2.gz YYIMZZVJWCZFOV-UHFFFAOYSA-N 1 0 375.472 4.039 20 30 GIEDRO CN(Cc1ccccc1)c1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176557999 823236600 /nfs/dbraw/zinc/23/66/00/823236600.db2.gz MSVGNQPJQPLRST-UHFFFAOYSA-N 1 0 393.535 4.022 20 30 GIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(C(F)(F)F)c1 ZINC000176709439 823274183 /nfs/dbraw/zinc/27/41/83/823274183.db2.gz ZVDAVJMMVLNZBY-ABAIWWIYSA-N 1 0 379.407 4.095 20 30 GIEDRO C=CCc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc(OC)c1O ZINC000572081808 823280192 /nfs/dbraw/zinc/28/01/92/823280192.db2.gz XNISVTSAZNGPDG-IBGZPJMESA-N 1 0 383.488 4.181 20 30 GIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000572138457 823288903 /nfs/dbraw/zinc/28/89/03/823288903.db2.gz WRPVYXWKZJAICC-UHFFFAOYSA-N 1 0 390.535 4.067 20 30 GIEDRO N#CC[C@@H](CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572174261 823294693 /nfs/dbraw/zinc/29/46/93/823294693.db2.gz HRPXXZKVNBCEDH-VWNXMTODSA-N 1 0 389.543 4.492 20 30 GIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188754445 823297986 /nfs/dbraw/zinc/29/79/86/823297986.db2.gz MRMLFOYMFBRXPM-KRWDZBQOSA-N 1 0 395.507 4.015 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(F)cc1 ZINC000008120296 818003266 /nfs/dbraw/zinc/00/32/66/818003266.db2.gz YNZSWVBBTXRWMX-UHFFFAOYSA-N 1 0 385.508 4.488 20 30 GIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)C1 ZINC000122255092 823328381 /nfs/dbraw/zinc/32/83/81/823328381.db2.gz XBWQJAGNNABLBJ-IERDGZPVSA-N 1 0 395.478 4.292 20 30 GIEDRO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2c(OC)c1 ZINC000572447230 823341183 /nfs/dbraw/zinc/34/11/83/823341183.db2.gz AFNWQFWRKKJTNF-OAQYLSRUSA-N 1 0 375.472 4.266 20 30 GIEDRO CCc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517690 818517953 /nfs/dbraw/zinc/51/79/53/818517953.db2.gz UGFIBCIWHKFUGF-UHFFFAOYSA-N 1 0 378.545 4.025 20 30 GIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)s1 ZINC000022790906 818861410 /nfs/dbraw/zinc/86/14/10/818861410.db2.gz JJCVUIOANJHBCG-UHFFFAOYSA-O 1 0 381.546 4.115 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 ZINC000022796450 818862029 /nfs/dbraw/zinc/86/20/29/818862029.db2.gz TVMLWPDYVXYSPF-UHFFFAOYSA-O 1 0 380.320 4.385 20 30 GIEDRO CCCNC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022804192 818862472 /nfs/dbraw/zinc/86/24/72/818862472.db2.gz BKECMDGZHLCNAC-UHFFFAOYSA-O 1 0 381.565 4.408 20 30 GIEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000058276640 823374008 /nfs/dbraw/zinc/37/40/08/823374008.db2.gz PUMXDESHNZUMOR-HXUWFJFHSA-N 1 0 393.556 4.312 20 30 GIEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)O[C@@H](C)C2 ZINC000572651840 823375509 /nfs/dbraw/zinc/37/55/09/823375509.db2.gz VCSFSJILCKOFPU-LBPRGKRZSA-N 1 0 376.378 4.199 20 30 GIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460390508 823373810 /nfs/dbraw/zinc/37/38/10/823373810.db2.gz WRUGMQAIZXIYJJ-UHFFFAOYSA-N 1 0 394.567 4.009 20 30 GIEDRO CCNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccccc1 ZINC000024565854 819071925 /nfs/dbraw/zinc/07/19/25/819071925.db2.gz CJWSLVGJXRSSED-UHFFFAOYSA-O 1 0 377.489 4.315 20 30 GIEDRO CN(C)c1ccccc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000572757712 823393590 /nfs/dbraw/zinc/39/35/90/823393590.db2.gz XJTZHGTYOBWUQE-UHFFFAOYSA-N 1 0 396.560 4.025 20 30 GIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460546580 823427221 /nfs/dbraw/zinc/42/72/21/823427221.db2.gz PTUWWRLNMZYYKT-UHFFFAOYSA-N 1 0 394.567 4.009 20 30 GIEDRO C[C@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000122892038 823429647 /nfs/dbraw/zinc/42/96/47/823429647.db2.gz WRDYLPJZQOJQQO-CQSZACIVSA-N 1 0 386.293 4.342 20 30 GIEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573021101 823434623 /nfs/dbraw/zinc/43/46/23/823434623.db2.gz KRZHOWVZPTUYBH-RXVVDRJESA-N 1 0 379.552 4.221 20 30 GIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573037219 823437900 /nfs/dbraw/zinc/43/79/00/823437900.db2.gz BINPCPOGKWNQKV-WBVHZDCISA-N 1 0 382.439 4.234 20 30 GIEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000177349740 823442463 /nfs/dbraw/zinc/44/24/63/823442463.db2.gz RPHVQXGMMXIRLW-UHFFFAOYSA-N 1 0 389.455 4.353 20 30 GIEDRO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000025641167 820009843 /nfs/dbraw/zinc/00/98/43/820009843.db2.gz WHFXJLSLGRLTPY-LJQANCHMSA-N 1 0 395.506 4.402 20 30 GIEDRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1)O[C@@H](C)C2 ZINC000026314051 820081404 /nfs/dbraw/zinc/08/14/04/820081404.db2.gz MHAOSNVPTAZLPW-KRWDZBQOSA-N 1 0 379.504 4.048 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(C#N)c1 ZINC000026325032 820083052 /nfs/dbraw/zinc/08/30/52/820083052.db2.gz LQPPMZWKCRSFEK-UHFFFAOYSA-N 1 0 392.528 4.221 20 30 GIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000573143574 823454935 /nfs/dbraw/zinc/45/49/35/823454935.db2.gz QOJDPHRHHVIPRC-DPSWKAHMSA-N 1 0 376.500 4.461 20 30 GIEDRO CCC[NH+](CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000027271291 820217951 /nfs/dbraw/zinc/21/79/51/820217951.db2.gz PWQCFFAXRGYBIM-UHFFFAOYSA-N 1 0 382.508 4.035 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(C)c1 ZINC000027311059 820223069 /nfs/dbraw/zinc/22/30/69/820223069.db2.gz BEXZINGOPWSPIX-UHFFFAOYSA-O 1 0 379.549 4.266 20 30 GIEDRO C=C(C)CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(CC)cc1 ZINC000027311667 820223925 /nfs/dbraw/zinc/22/39/25/820223925.db2.gz FSSAMJNARZXGAC-UHFFFAOYSA-O 1 0 379.505 4.387 20 30 GIEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(CC)cc1 ZINC000027324736 820224221 /nfs/dbraw/zinc/22/42/21/820224221.db2.gz XTIHIRUBMGXLRP-UHFFFAOYSA-O 1 0 381.565 4.354 20 30 GIEDRO CSCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C)cc1 ZINC000027479576 820250105 /nfs/dbraw/zinc/25/01/05/820250105.db2.gz WMVXIPBDPIFPMF-UHFFFAOYSA-O 1 0 399.605 4.053 20 30 GIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920232 823470646 /nfs/dbraw/zinc/47/06/46/823470646.db2.gz BWGCVJOBVPKNAL-IBGZPJMESA-N 1 0 391.540 4.410 20 30 GIEDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCCC1 ZINC000573294783 823477477 /nfs/dbraw/zinc/47/74/77/823477477.db2.gz QLYMQHWVKMVTTC-UHFFFAOYSA-N 1 0 381.442 4.238 20 30 GIEDRO C=CCCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460682492 823477525 /nfs/dbraw/zinc/47/75/25/823477525.db2.gz ZUAXYWHMAOUKAW-UHFFFAOYSA-N 1 0 394.357 4.021 20 30 GIEDRO CC(=O)c1ccc[n+](CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)c1 ZINC000029346647 820440682 /nfs/dbraw/zinc/44/06/82/820440682.db2.gz XCHPXNXMUSKICO-NRFANRHFSA-N 1 0 389.500 4.057 20 30 GIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cc1 ZINC000123221878 823481059 /nfs/dbraw/zinc/48/10/59/823481059.db2.gz LRVSQWTWPMFIFO-CQSZACIVSA-N 1 0 393.409 4.338 20 30 GIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569870 820477827 /nfs/dbraw/zinc/47/78/27/820477827.db2.gz RJRURPBVYMNMEZ-KNQAVFIVSA-N 1 0 387.527 4.479 20 30 GIEDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000123258508 823486494 /nfs/dbraw/zinc/48/64/94/823486494.db2.gz VLYXIJHZPWSTSC-SFHVURJKSA-N 1 0 390.508 4.177 20 30 GIEDRO N#CC1(CCC[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CCOCC1 ZINC000410420908 823492315 /nfs/dbraw/zinc/49/23/15/823492315.db2.gz KTRCHBKBICUXTL-NRFANRHFSA-N 1 0 377.488 4.057 20 30 GIEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000030728535 820673694 /nfs/dbraw/zinc/67/36/94/820673694.db2.gz SDSPFGMHHLXEJK-UHFFFAOYSA-N 1 0 380.492 4.088 20 30 GIEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000123328418 823496909 /nfs/dbraw/zinc/49/69/09/823496909.db2.gz ORVUFABETUVWIR-LJQANCHMSA-N 1 0 381.863 4.266 20 30 GIEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189819664 823501800 /nfs/dbraw/zinc/50/18/00/823501800.db2.gz HXXRSJVGGLLMOQ-UHFFFAOYSA-N 1 0 391.471 4.275 20 30 GIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460782740 823511254 /nfs/dbraw/zinc/51/12/54/823511254.db2.gz CEHYKRJAJPOSCI-FXAWDEMLSA-N 1 0 399.970 4.161 20 30 GIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000177715438 823515980 /nfs/dbraw/zinc/51/59/80/823515980.db2.gz DYTSSQKNNWEAIZ-UHFFFAOYSA-N 1 0 383.373 4.429 20 30 GIEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000032768843 821006202 /nfs/dbraw/zinc/00/62/02/821006202.db2.gz WCLLCHHIAPGKIO-IRLDBZIGSA-N 1 0 397.515 4.009 20 30 GIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)Cn2ccnc2C(C)C)c1C#N ZINC000123628907 823527367 /nfs/dbraw/zinc/52/73/67/823527367.db2.gz LIHLBNCSSAQWDQ-UHFFFAOYSA-N 1 0 393.466 4.123 20 30 GIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000177807324 823528264 /nfs/dbraw/zinc/52/82/64/823528264.db2.gz RVGJJIQCKJHMQN-UXHICEINSA-N 1 0 390.487 4.441 20 30 GIEDRO CC[N@H+](CC(=O)NCc1cccc(COC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469445 823531715 /nfs/dbraw/zinc/53/17/15/823531715.db2.gz HMSSNMHLWNXZAO-LJQANCHMSA-N 1 0 393.531 4.183 20 30 GIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060482666 823533061 /nfs/dbraw/zinc/53/30/61/823533061.db2.gz IVCULPHSZMFJIX-UHFFFAOYSA-N 1 0 395.890 4.135 20 30 GIEDRO COc1ccccc1Oc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123714190 823534309 /nfs/dbraw/zinc/53/43/09/823534309.db2.gz UYEHZXWSNJAJQK-UHFFFAOYSA-N 1 0 384.439 4.297 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929504 821345893 /nfs/dbraw/zinc/34/58/93/821345893.db2.gz IFBDBRNVYJUMCK-UHFFFAOYSA-N 1 0 390.531 4.144 20 30 GIEDRO CSc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043157266 821370164 /nfs/dbraw/zinc/37/01/64/821370164.db2.gz WFMWVOBRKNOOAP-UHFFFAOYSA-N 1 0 380.517 4.020 20 30 GIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180814593 821475075 /nfs/dbraw/zinc/47/50/75/821475075.db2.gz ZVZMMBLGAFHBPP-KRWDZBQOSA-N 1 0 392.528 4.440 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCOc3ccc(OC)cc32)ccc1OC ZINC000180817264 821477710 /nfs/dbraw/zinc/47/77/10/821477710.db2.gz KCEJNAVZQMAIAG-XLIONFOSSA-N 1 0 396.487 4.388 20 30 GIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000180950168 821553244 /nfs/dbraw/zinc/55/32/44/821553244.db2.gz NWYWLFYAVFMIRU-LBPRGKRZSA-N 1 0 397.422 4.240 20 30 GIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OCC ZINC000181394604 821804682 /nfs/dbraw/zinc/80/46/82/821804682.db2.gz PMVOSWJIIMLMNB-LSDHHAIUSA-N 1 0 399.491 4.243 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181496642 821853768 /nfs/dbraw/zinc/85/37/68/821853768.db2.gz XJYYTMAZNNEUBE-NRFANRHFSA-N 1 0 387.527 4.226 20 30 GIEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000181500304 821855461 /nfs/dbraw/zinc/85/54/61/821855461.db2.gz BCDATLCCYMPQKS-LJQANCHMSA-N 1 0 382.895 4.165 20 30 GIEDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(OCC#N)cc1 ZINC000181596308 821895949 /nfs/dbraw/zinc/89/59/49/821895949.db2.gz MUHVCVNQLJGGRI-INIZCTEOSA-N 1 0 375.428 4.285 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCCOCc3ccccc3)CC2)cc1 ZINC000181632249 821913783 /nfs/dbraw/zinc/91/37/83/821913783.db2.gz JOKZQOMZGLIQTO-UHFFFAOYSA-N 1 0 377.532 4.109 20 30 GIEDRO CC(C)(C)c1csc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000181709403 821953511 /nfs/dbraw/zinc/95/35/11/821953511.db2.gz HNBJLCPICBNBNK-UHFFFAOYSA-N 1 0 382.577 4.109 20 30 GIEDRO C[C@H](NC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181748980 821975085 /nfs/dbraw/zinc/97/50/85/821975085.db2.gz PMFKXGLUNFPMTK-FQEVSTJZSA-N 1 0 390.575 4.242 20 30 GIEDRO C[C@@H](NC1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCOCC1)c1ccccc1 ZINC000181783927 821990698 /nfs/dbraw/zinc/99/06/98/821990698.db2.gz MJHUAPVDEMQVMS-VQTJNVASSA-N 1 0 393.531 4.140 20 30 GIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181791327 821993806 /nfs/dbraw/zinc/99/38/06/821993806.db2.gz LXJIYYQULZGEQF-UHFFFAOYSA-N 1 0 380.492 4.463 20 30 GIEDRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181798809 821997180 /nfs/dbraw/zinc/99/71/80/821997180.db2.gz MPGBVBWCMSXKKF-OAQYLSRUSA-N 1 0 387.487 4.059 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000181808735 822001391 /nfs/dbraw/zinc/00/13/91/822001391.db2.gz HUWJYVFJQATLLY-SFHVURJKSA-N 1 0 394.475 4.118 20 30 GIEDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1OC(F)F ZINC000181887318 822026963 /nfs/dbraw/zinc/02/69/63/822026963.db2.gz DNIGNTNCHCJWMC-CQSZACIVSA-N 1 0 376.403 4.440 20 30 GIEDRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(OCC#N)cc1 ZINC000181960176 822046324 /nfs/dbraw/zinc/04/63/24/822046324.db2.gz NOTQJRKHQDPWMA-INIZCTEOSA-N 1 0 378.501 4.391 20 30 GIEDRO CCOC(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182004111 822059113 /nfs/dbraw/zinc/05/91/13/822059113.db2.gz BTONZZBLBKJTSF-UHFFFAOYSA-N 1 0 378.476 4.203 20 30 GIEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182060609 822077868 /nfs/dbraw/zinc/07/78/68/822077868.db2.gz QRWVVCZAJXZBON-SFHVURJKSA-N 1 0 377.488 4.154 20 30 GIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000182072046 822082132 /nfs/dbraw/zinc/08/21/32/822082132.db2.gz RNISKTXDLDZJAP-DHLKQENFSA-N 1 0 389.543 4.280 20 30 GIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000182099255 822093399 /nfs/dbraw/zinc/09/33/99/822093399.db2.gz SZPMKNLXUAUHQO-INIZCTEOSA-N 1 0 388.558 4.183 20 30 GIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136560 822111142 /nfs/dbraw/zinc/11/11/42/822111142.db2.gz CLMXYSFSGRWPGS-YWZLYKJASA-N 1 0 381.476 4.185 20 30 GIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000182459986 822251219 /nfs/dbraw/zinc/25/12/19/822251219.db2.gz PBLZZZYBKNQEJO-RYUDHWBXSA-N 1 0 379.382 4.465 20 30 GIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1 ZINC000178302763 822365293 /nfs/dbraw/zinc/36/52/93/822365293.db2.gz MUOWXDGZVCEBJY-INIZCTEOSA-N 1 0 393.936 4.213 20 30 GIEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453451915 822366107 /nfs/dbraw/zinc/36/61/07/822366107.db2.gz KZAWVLYMNQUBHV-HNNXBMFYSA-N 1 0 387.494 4.221 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccc(C)cn2)cc1OC ZINC000453598039 822390829 /nfs/dbraw/zinc/39/08/29/822390829.db2.gz IQSZSFBKNNCLFK-UHFFFAOYSA-N 1 0 391.309 4.058 20 30 GIEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000453598994 822391044 /nfs/dbraw/zinc/39/10/44/822391044.db2.gz PINQFJFJKJSNHF-QGZVFWFLSA-N 1 0 392.478 4.332 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914698 822391843 /nfs/dbraw/zinc/39/18/43/822391843.db2.gz ISUWAJWCFWHFQW-AZUAARDMSA-N 1 0 385.552 4.046 20 30 GIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182943306 822397464 /nfs/dbraw/zinc/39/74/64/822397464.db2.gz NNQOXABPMYWITQ-WIYYLYMNSA-N 1 0 382.552 4.133 20 30 GIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178680039 822402238 /nfs/dbraw/zinc/40/22/38/822402238.db2.gz CZVFFSLYNKYCCA-ZWKOTPCHSA-N 1 0 394.475 4.198 20 30 GIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000045789358 822413908 /nfs/dbraw/zinc/41/39/08/822413908.db2.gz AUNSFPDKSMFTNP-IBGZPJMESA-N 1 0 390.531 4.132 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2OC)CC1 ZINC000178834938 822414973 /nfs/dbraw/zinc/41/49/73/822414973.db2.gz PTKRRHHLEYDAPV-UHFFFAOYSA-N 1 0 381.476 4.259 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179105683 822438574 /nfs/dbraw/zinc/43/85/74/822438574.db2.gz ZGWWZQORHSLEOR-HTAPYJJXSA-N 1 0 377.488 4.071 20 30 GIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454259030 822445033 /nfs/dbraw/zinc/44/50/33/822445033.db2.gz CZAFKIYZYRGZAC-QGZVFWFLSA-N 1 0 394.494 4.071 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226440 822452504 /nfs/dbraw/zinc/45/25/04/822452504.db2.gz CVZBJDKFXCLNMN-NRFANRHFSA-N 1 0 396.922 4.190 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000183331990 822460091 /nfs/dbraw/zinc/46/00/91/822460091.db2.gz IWUVHKXCAQVEKS-GOSISDBHSA-N 1 0 386.540 4.343 20 30 GIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000183715098 822515753 /nfs/dbraw/zinc/51/57/53/822515753.db2.gz HDZZXAURNVVGDG-INIZCTEOSA-N 1 0 396.560 4.454 20 30 GIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000046817589 822520924 /nfs/dbraw/zinc/52/09/24/822520924.db2.gz WLJJANRGMVNXJQ-QWHCGFSZSA-N 1 0 377.366 4.135 20 30 GIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2CC)c(OC)c1 ZINC000046866046 822525417 /nfs/dbraw/zinc/52/54/17/822525417.db2.gz LJYDRQHDPRNBPF-HKUYNNGSSA-N 1 0 387.545 4.234 20 30 GIEDRO N#Cc1c(NC(=O)CC[NH2+]C2(c3cccc(F)c3)CC2)sc2c1CCCC2 ZINC000179683376 822526790 /nfs/dbraw/zinc/52/67/90/822526790.db2.gz YYJRNFXGJYSYPR-UHFFFAOYSA-N 1 0 383.492 4.245 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1OC(F)F ZINC000179718129 822534322 /nfs/dbraw/zinc/53/43/22/822534322.db2.gz MELVZSBNLKCSOQ-HNNXBMFYSA-N 1 0 377.391 4.049 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)sc1Cl ZINC000047011097 822537504 /nfs/dbraw/zinc/53/75/04/822537504.db2.gz BLCXUBLOANJRPK-UHFFFAOYSA-N 1 0 382.316 4.131 20 30 GIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000184001150 822561612 /nfs/dbraw/zinc/56/16/12/822561612.db2.gz ALWMZONCZJZXED-PCCBWWKXSA-N 1 0 399.535 4.247 20 30 GIEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000184091171 822576528 /nfs/dbraw/zinc/57/65/28/822576528.db2.gz UESOVWJTZKGRTH-UHFFFAOYSA-N 1 0 385.552 4.076 20 30 GIEDRO COCCCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000179991148 822592010 /nfs/dbraw/zinc/59/20/10/822592010.db2.gz HHDCQQCQPXUSTA-UHFFFAOYSA-N 1 0 388.515 4.388 20 30 GIEDRO CN(c1ccccc1)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180008173 822594923 /nfs/dbraw/zinc/59/49/23/822594923.db2.gz SXYNIVFYFACOTB-UHFFFAOYSA-N 1 0 385.515 4.060 20 30 GIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC(=O)C1CC1 ZINC000180029329 822600634 /nfs/dbraw/zinc/60/06/34/822600634.db2.gz KOPBTJGCLZWSDH-UHFFFAOYSA-N 1 0 376.456 4.047 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)c2)c1 ZINC000047701287 822600992 /nfs/dbraw/zinc/60/09/92/822600992.db2.gz UNBYVKAUYCJAGZ-UHFFFAOYSA-N 1 0 398.510 4.422 20 30 GIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000180047245 822603994 /nfs/dbraw/zinc/60/39/94/822603994.db2.gz SRWCICQCPXMGIG-IBGZPJMESA-N 1 0 377.488 4.049 20 30 GIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180193077 822636485 /nfs/dbraw/zinc/63/64/85/822636485.db2.gz DOCXBFZQYLIRPL-OAHLLOKOSA-N 1 0 379.533 4.479 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000180220960 822642016 /nfs/dbraw/zinc/64/20/16/822642016.db2.gz LFJSUHGQGUVCED-UHFFFAOYSA-N 1 0 382.511 4.374 20 30 GIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000184541142 822654173 /nfs/dbraw/zinc/65/41/73/822654173.db2.gz BLUDBSDXWKUDJC-VFNWGFHPSA-N 1 0 384.549 4.132 20 30 GIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000180334073 822665224 /nfs/dbraw/zinc/66/52/24/822665224.db2.gz HZFAMCYFRDDUHO-UHFFFAOYSA-N 1 0 383.495 4.352 20 30 GIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000048779212 822682637 /nfs/dbraw/zinc/68/26/37/822682637.db2.gz WGJULNTWGMLRJH-UHFFFAOYSA-N 1 0 385.305 4.159 20 30 GIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184793066 822691884 /nfs/dbraw/zinc/69/18/84/822691884.db2.gz OLTCTRPCMNSGFV-OAHLLOKOSA-N 1 0 387.549 4.202 20 30 GIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000180620594 822714099 /nfs/dbraw/zinc/71/40/99/822714099.db2.gz SQCDSGLHSWLGGU-YADHBBJMSA-N 1 0 381.520 4.498 20 30 GIEDRO N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000455725065 822714417 /nfs/dbraw/zinc/71/44/17/822714417.db2.gz CRFIEOOJZKLWOE-SFHVURJKSA-N 1 0 382.895 4.050 20 30 GIEDRO N#CCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC000455748292 822719278 /nfs/dbraw/zinc/71/92/78/822719278.db2.gz IVTDJFBHNVZGBZ-UHFFFAOYSA-N 1 0 382.895 4.324 20 30 GIEDRO CC(C)Oc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455765851 822722435 /nfs/dbraw/zinc/72/24/35/822722435.db2.gz DEMGDSBUMYEBCA-UHFFFAOYSA-N 1 0 392.503 4.085 20 30 GIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455897933 822744444 /nfs/dbraw/zinc/74/44/44/822744444.db2.gz DXYOWZKMWCNQBT-JOCHJYFZSA-N 1 0 379.504 4.464 20 30 GIEDRO CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000455917956 822749187 /nfs/dbraw/zinc/74/91/87/822749187.db2.gz KOVUMJPNKFBLAQ-AVRDEDQJSA-N 1 0 376.504 4.442 20 30 GIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Cl)nc1 ZINC000174583612 822808285 /nfs/dbraw/zinc/80/82/85/822808285.db2.gz OXEPKWWHDSYFIF-UHFFFAOYSA-N 1 0 388.924 4.008 20 30 GIEDRO COc1cccc(O[C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000174587149 822808660 /nfs/dbraw/zinc/80/86/60/822808660.db2.gz WBEGTUOKAJPQLY-GOSISDBHSA-N 1 0 390.487 4.029 20 30 GIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Oc1ccc(F)cc1 ZINC000174602833 822810820 /nfs/dbraw/zinc/81/08/20/822810820.db2.gz WAZDHXYUMRUCEE-KRWDZBQOSA-N 1 0 378.451 4.160 20 30 GIEDRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000174634977 822815451 /nfs/dbraw/zinc/81/54/51/822815451.db2.gz JQUBHKCHIKBMMT-UHFFFAOYSA-N 1 0 377.488 4.196 20 30 GIEDRO CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185805796 822822996 /nfs/dbraw/zinc/82/29/96/822822996.db2.gz GDKIZKHZJSNBNL-JQVVWYNYSA-N 1 0 382.552 4.456 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000174776063 822835499 /nfs/dbraw/zinc/83/54/99/822835499.db2.gz OKLRENOHDGSOGW-UHFFFAOYSA-N 1 0 375.944 4.445 20 30 GIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1sccc1C#N ZINC000053681232 822844818 /nfs/dbraw/zinc/84/48/18/822844818.db2.gz HEEACCMFZGLUFB-UHFFFAOYSA-N 1 0 377.897 4.003 20 30 GIEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000457103279 822853339 /nfs/dbraw/zinc/85/33/39/822853339.db2.gz ARJGERZVEZTPIU-HXUWFJFHSA-N 1 0 377.488 4.100 20 30 GIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000457174761 822859027 /nfs/dbraw/zinc/85/90/27/822859027.db2.gz WQODGFIJBCAOBU-UHFFFAOYSA-N 1 0 377.488 4.263 20 30 GIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Br)ccc1O ZINC000186266103 822866971 /nfs/dbraw/zinc/86/69/71/822866971.db2.gz WBTZAXOOYRNXIX-QGZVFWFLSA-N 1 0 375.266 4.298 20 30 GIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569144057 822883722 /nfs/dbraw/zinc/88/37/22/822883722.db2.gz OBDCRZNFMFGYHA-OAHLLOKOSA-N 1 0 386.480 4.448 20 30 GIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000054537607 822893888 /nfs/dbraw/zinc/89/38/88/822893888.db2.gz XHJWTEDRFLGVOC-UHFFFAOYSA-N 1 0 392.503 4.085 20 30 GIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386114 822914352 /nfs/dbraw/zinc/91/43/52/822914352.db2.gz SFWPLMSDJCADNE-YADHBBJMSA-N 1 0 384.483 4.202 20 30 GIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000569395493 822916045 /nfs/dbraw/zinc/91/60/45/822916045.db2.gz YKKPXDNKBRTNGF-UHFFFAOYSA-N 1 0 385.508 4.488 20 30 GIEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1 ZINC000055012678 822931022 /nfs/dbraw/zinc/93/10/22/822931022.db2.gz COUWCTJSKLEJTK-UHFFFAOYSA-O 1 0 387.528 4.482 20 30 GIEDRO CCc1cccc[n+]1C(C(=O)c1cc(F)ccc1F)C(=S)NC(C)(C)C ZINC000055014571 822931429 /nfs/dbraw/zinc/93/14/29/822931429.db2.gz MZVMNYXLNSEPJT-UHFFFAOYSA-O 1 0 377.480 4.142 20 30 GIEDRO CCOc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccccc2)cc1 ZINC000055027858 822932219 /nfs/dbraw/zinc/93/22/19/822932219.db2.gz UPRKIJYJQWNNPO-UHFFFAOYSA-O 1 0 397.545 4.163 20 30 GIEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055134624 822940204 /nfs/dbraw/zinc/94/02/04/822940204.db2.gz JJMKEBXLMWGFSA-UHFFFAOYSA-N 1 0 399.494 4.129 20 30 GIEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000569691737 822955783 /nfs/dbraw/zinc/95/57/83/822955783.db2.gz GHNXCPRSRWOHPN-HDICACEKSA-N 1 0 392.528 4.173 20 30 GIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1C#N ZINC000458265244 822975446 /nfs/dbraw/zinc/97/54/46/822975446.db2.gz CRARBZKZRDVPFV-UHFFFAOYSA-N 1 0 380.517 4.175 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1c(C)cccc1C)[n+]1ccccc1 ZINC000186952749 822985974 /nfs/dbraw/zinc/98/59/74/822985974.db2.gz SUBIFTCAWJISPO-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cccc(C)c1)[n+]1ccc(C)cc1 ZINC000186954946 822986206 /nfs/dbraw/zinc/98/62/06/822986206.db2.gz ABIBHGSANKUJIT-UHFFFAOYSA-O 1 0 380.493 4.247 20 30 GIEDRO N#CCc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000570138325 823009563 /nfs/dbraw/zinc/00/95/63/823009563.db2.gz GDWYSFSOYFZOME-KDURUIRLSA-N 1 0 394.906 4.002 20 30 GIEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175774528 823037116 /nfs/dbraw/zinc/03/71/16/823037116.db2.gz HGJGLLOQSSHZOO-UZLBHIALSA-N 1 0 379.529 4.122 20 30 GIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000060575826 823543969 /nfs/dbraw/zinc/54/39/69/823543969.db2.gz LQEMIXSMBYLCEJ-UHFFFAOYSA-N 1 0 376.287 4.069 20 30 GIEDRO C=CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000177909813 823545281 /nfs/dbraw/zinc/54/52/81/823545281.db2.gz ARSVFTPCGGVNKJ-LJQANCHMSA-N 1 0 383.561 4.436 20 30 GIEDRO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460963582 823551752 /nfs/dbraw/zinc/55/17/52/823551752.db2.gz YTWAFYLQRHKAEI-LJQANCHMSA-N 1 0 397.592 4.128 20 30 GIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1C ZINC000123950970 823554467 /nfs/dbraw/zinc/55/44/67/823554467.db2.gz DYMIPJGTSAVGSA-AEFFLSMTSA-N 1 0 379.529 4.264 20 30 GIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)C(C)C ZINC000460989968 823556368 /nfs/dbraw/zinc/55/63/68/823556368.db2.gz FQOHLPXSQAXEOG-GOSISDBHSA-N 1 0 387.911 4.423 20 30 GIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000124019415 823560459 /nfs/dbraw/zinc/56/04/59/823560459.db2.gz FQERURFESVIPBY-UHFFFAOYSA-N 1 0 391.515 4.140 20 30 GIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060882254 823564568 /nfs/dbraw/zinc/56/45/68/823564568.db2.gz NJHWREHNUCCNNR-QZTJIDSGSA-N 1 0 377.488 4.339 20 30 GIEDRO C[C@H]1CCCC[N@@H+]1CCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060960618 823569636 /nfs/dbraw/zinc/56/96/36/823569636.db2.gz LAJZGTQMLDYGNN-FQEVSTJZSA-N 1 0 377.532 4.491 20 30 GIEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000061001762 823572034 /nfs/dbraw/zinc/57/20/34/823572034.db2.gz GMHRNINFRYINHN-UHFFFAOYSA-N 1 0 381.545 4.151 20 30 GIEDRO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(C#N)cc1 ZINC000061011479 823572709 /nfs/dbraw/zinc/57/27/09/823572709.db2.gz IJBKORHQFMAEAO-LJQANCHMSA-N 1 0 390.531 4.495 20 30 GIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517597 823583691 /nfs/dbraw/zinc/58/36/91/823583691.db2.gz GHTWGAUWJGMVNR-GUYCJALGSA-N 1 0 395.484 4.139 20 30 GIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190612654 823591472 /nfs/dbraw/zinc/59/14/72/823591472.db2.gz ROBDVKUJIBBXKU-SFTDATJTSA-N 1 0 391.540 4.103 20 30 GIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190621551 823592685 /nfs/dbraw/zinc/59/26/85/823592685.db2.gz UBLMKTCHTIWWOA-GCJKJVERSA-N 1 0 375.516 4.005 20 30 GIEDRO CCOC(=O)c1csc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)n1 ZINC000411634588 823592820 /nfs/dbraw/zinc/59/28/20/823592820.db2.gz LSJMRPRDHVTIDG-UHFFFAOYSA-N 1 0 375.538 4.363 20 30 GIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1F ZINC000190628606 823593361 /nfs/dbraw/zinc/59/33/61/823593361.db2.gz QMJFMWMDIZKZHI-RBUKOAKNSA-N 1 0 385.870 4.193 20 30 GIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000461259025 823606626 /nfs/dbraw/zinc/60/66/26/823606626.db2.gz AIADYCAVOINMNI-JOCHJYFZSA-N 1 0 391.515 4.084 20 30 GIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000411887820 823612998 /nfs/dbraw/zinc/61/29/98/823612998.db2.gz PLXSLICKDXJBIJ-NRFANRHFSA-N 1 0 390.487 4.297 20 30 GIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000124741658 823622545 /nfs/dbraw/zinc/62/25/45/823622545.db2.gz UHMYUYCVEBMHPB-IBGZPJMESA-N 1 0 377.488 4.073 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1OCC ZINC000190950512 823629306 /nfs/dbraw/zinc/62/93/06/823629306.db2.gz BONAMYWJCKMVKA-HUUCEWRRSA-N 1 0 384.314 4.070 20 30 GIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000062368999 823630055 /nfs/dbraw/zinc/63/00/55/823630055.db2.gz APHGSNKDQCEEPM-UHFFFAOYSA-N 1 0 391.302 4.461 20 30 GIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412155265 823631059 /nfs/dbraw/zinc/63/10/59/823631059.db2.gz JLSSTMGKRDISRD-OEMFJLHTSA-N 1 0 387.527 4.032 20 30 GIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412189714 823634163 /nfs/dbraw/zinc/63/41/63/823634163.db2.gz VJOISQBXTUOPPT-LEWJYISDSA-N 1 0 381.545 4.094 20 30 GIEDRO N#Cc1ccccc1Oc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000124988483 823643039 /nfs/dbraw/zinc/64/30/39/823643039.db2.gz ANTJYZLCVKRNOX-OAHLLOKOSA-N 1 0 395.890 4.218 20 30 GIEDRO CN(CCC#N)c1ccc(CNc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000125198344 823658695 /nfs/dbraw/zinc/65/86/95/823658695.db2.gz AQWZZNGTZPECHE-UHFFFAOYSA-N 1 0 380.561 4.197 20 30 GIEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)cc1 ZINC000125204949 823659084 /nfs/dbraw/zinc/65/90/84/823659084.db2.gz MQRJEPMOVYAKIB-INIZCTEOSA-N 1 0 377.307 4.080 20 30 GIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288201 823660197 /nfs/dbraw/zinc/66/01/97/823660197.db2.gz STPTYCRLFARGJY-UHFFFAOYSA-N 1 0 398.850 4.137 20 30 GIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191242026 823662536 /nfs/dbraw/zinc/66/25/36/823662536.db2.gz NEZSKOVESMVSTQ-UHFFFAOYSA-N 1 0 375.394 4.341 20 30 GIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063400808 823668195 /nfs/dbraw/zinc/66/81/95/823668195.db2.gz VLCSCRKZXKLINF-UHFFFAOYSA-N 1 0 388.515 4.052 20 30 GIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063504331 823676604 /nfs/dbraw/zinc/67/66/04/823676604.db2.gz RNWLPXGSEJREGG-LJQANCHMSA-N 1 0 392.421 4.229 20 30 GIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccncc1)CCCCC2 ZINC000125482598 823679812 /nfs/dbraw/zinc/67/98/12/823679812.db2.gz MGMRQOPYORBUFG-LJQANCHMSA-N 1 0 394.544 4.449 20 30 GIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191470831 823688632 /nfs/dbraw/zinc/68/86/32/823688632.db2.gz MQGYHOOGLPMAKC-GOSISDBHSA-N 1 0 385.552 4.256 20 30 GIEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000063727621 823692141 /nfs/dbraw/zinc/69/21/41/823692141.db2.gz DCWJWPFLWFRUOT-UHFFFAOYSA-N 1 0 391.515 4.084 20 30 GIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799507 823697964 /nfs/dbraw/zinc/69/79/64/823697964.db2.gz VQUVHUKKTKGINM-UHFFFAOYSA-N 1 0 390.531 4.276 20 30 GIEDRO CN(C)[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccco1 ZINC000125718641 823699856 /nfs/dbraw/zinc/69/98/56/823699856.db2.gz ULNYLDFIYJFCMP-QFIPXVFZSA-N 1 0 375.472 4.123 20 30 GIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3cn4ccccc4n3)c2)c1 ZINC000125805184 823715458 /nfs/dbraw/zinc/71/54/58/823715458.db2.gz BWKRBNITJQAGBV-UHFFFAOYSA-N 1 0 382.467 4.117 20 30 GIEDRO C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461906415 823748128 /nfs/dbraw/zinc/74/81/28/823748128.db2.gz GZJWXRAREWQWKY-IERDGZPVSA-N 1 0 381.907 4.268 20 30 GIEDRO N#Cc1ccc([C@@H](O)C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)cc1 ZINC000126026537 823769443 /nfs/dbraw/zinc/76/94/43/823769443.db2.gz BAUSONAOYNFXRB-DEOSSOPVSA-N 1 0 386.495 4.066 20 30 GIEDRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000462011644 823793885 /nfs/dbraw/zinc/79/38/85/823793885.db2.gz ATXCIIQEUYDAPL-IBGZPJMESA-N 1 0 375.516 4.354 20 30 GIEDRO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000462036438 823806142 /nfs/dbraw/zinc/80/61/42/823806142.db2.gz OMCBXOOFXYDDRB-QGZVFWFLSA-N 1 0 395.503 4.030 20 30 GIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(c3ccc(Br)cc3)C1)CC2 ZINC000574799016 823830608 /nfs/dbraw/zinc/83/06/08/823830608.db2.gz ISBUZDWQHWKXNK-KKSFZXQISA-N 1 0 396.332 4.424 20 30 GIEDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000574818236 823833765 /nfs/dbraw/zinc/83/37/65/823833765.db2.gz NEMLEOOOPJDHSU-UHFFFAOYSA-N 1 0 391.437 4.149 20 30 GIEDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000064614329 823852709 /nfs/dbraw/zinc/85/27/09/823852709.db2.gz NWQNRRUOZHDMKI-IBGZPJMESA-N 1 0 397.494 4.133 20 30 GIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064614381 823852824 /nfs/dbraw/zinc/85/28/24/823852824.db2.gz CUYMVNISOKAROB-INIZCTEOSA-N 1 0 384.476 4.246 20 30 GIEDRO COc1ccc(CNCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OCCCC#N ZINC000064614278 823853094 /nfs/dbraw/zinc/85/30/94/823853094.db2.gz RLMBSYLIEKJIEU-RTBURBONSA-N 1 0 387.568 4.224 20 30 GIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC000192138362 823875586 /nfs/dbraw/zinc/87/55/86/823875586.db2.gz YMRMKEDCQBGNOA-QZTJIDSGSA-N 1 0 393.231 4.219 20 30 GIEDRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462239671 823890908 /nfs/dbraw/zinc/89/09/08/823890908.db2.gz ZQQCFDPUPJXPHC-WUMKDDEVSA-N 1 0 387.527 4.175 20 30 GIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC000192178722 823893726 /nfs/dbraw/zinc/89/37/26/823893726.db2.gz QMWSKNDLWKGTDN-CQSZACIVSA-N 1 0 377.579 4.045 20 30 GIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)ccc1OC ZINC000168317858 823902191 /nfs/dbraw/zinc/90/21/91/823902191.db2.gz DWRKWLXYCIVSRL-OAHLLOKOSA-N 1 0 394.393 4.406 20 30 GIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126655931 823920255 /nfs/dbraw/zinc/92/02/55/823920255.db2.gz XGEVSBPKWVTSSL-SJORKVTESA-N 1 0 383.467 4.129 20 30 GIEDRO CC(C)CCc1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000065040201 823928675 /nfs/dbraw/zinc/92/86/75/823928675.db2.gz SREHHONWQYNTCS-UHFFFAOYSA-N 1 0 382.577 4.311 20 30 GIEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2=O)ccc1Br ZINC000462335318 823928958 /nfs/dbraw/zinc/92/89/58/823928958.db2.gz BINPCWRCGJTVFQ-LIRRHRJNSA-N 1 0 398.304 4.085 20 30 GIEDRO COc1ccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000575322710 823954675 /nfs/dbraw/zinc/95/46/75/823954675.db2.gz RWPZTIUGKGLWSX-DEOSSOPVSA-N 1 0 393.531 4.132 20 30 GIEDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OCCCC#N ZINC000192375472 823964598 /nfs/dbraw/zinc/96/45/98/823964598.db2.gz HOZFGCYDHLOVKT-REWPJTCUSA-N 1 0 380.488 4.245 20 30 GIEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000126975419 823992794 /nfs/dbraw/zinc/99/27/94/823992794.db2.gz LGSTUSWLZBGZAC-OXQOHEQNSA-N 1 0 396.922 4.411 20 30 GIEDRO C[C@@H](NC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000170907488 824003768 /nfs/dbraw/zinc/00/37/68/824003768.db2.gz QARFDKDSWOLCDH-IAQYHMDHSA-N 1 0 391.302 4.085 20 30 GIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000575841812 824009896 /nfs/dbraw/zinc/00/98/96/824009896.db2.gz JKTTXWKVMYIFET-UHFFFAOYSA-N 1 0 392.528 4.481 20 30 GIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1OCC ZINC000414583195 824015850 /nfs/dbraw/zinc/01/58/50/824015850.db2.gz RZYXZJIFCLLYCA-GDBMZVCRSA-N 1 0 398.341 4.053 20 30 GIEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)s1 ZINC000414583489 824015870 /nfs/dbraw/zinc/01/58/70/824015870.db2.gz IDRSFBYVZHQPAJ-UHFFFAOYSA-N 1 0 390.350 4.136 20 30 GIEDRO CC1(C)CC[N@H+](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000575879038 824018523 /nfs/dbraw/zinc/01/85/23/824018523.db2.gz HJFMMOFXRAOHBF-UHFFFAOYSA-N 1 0 377.488 4.002 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414899828 824047615 /nfs/dbraw/zinc/04/76/15/824047615.db2.gz GIIVZVZOUYTZST-JTDSTZFVSA-N 1 0 382.895 4.387 20 30 GIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1Cl ZINC000414903694 824048018 /nfs/dbraw/zinc/04/80/18/824048018.db2.gz LLIIMPJSYDPLPF-GOSISDBHSA-N 1 0 382.895 4.388 20 30 GIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1Cl ZINC000414903825 824048043 /nfs/dbraw/zinc/04/80/43/824048043.db2.gz LUAOACCXJGHQLT-RJYAGPCLSA-N 1 0 382.895 4.387 20 30 GIEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414915337 824049578 /nfs/dbraw/zinc/04/95/78/824049578.db2.gz ZDHGRWMNPFWWNX-QOKNQOGYSA-N 1 0 382.895 4.196 20 30 GIEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2C)[n+]2ccc(C)cc2)cn1 ZINC000171063842 824052866 /nfs/dbraw/zinc/05/28/66/824052866.db2.gz KVULQDPBBBJBLN-UHFFFAOYSA-O 1 0 392.504 4.045 20 30 GIEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414969241 824055529 /nfs/dbraw/zinc/05/55/29/824055529.db2.gz SQZSEJFUQIFJKU-DZGCQCFKSA-N 1 0 384.867 4.205 20 30 GIEDRO