smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226253609 136386457 /nfs/dbraw/zinc/38/64/57/136386457.db2.gz LPJFPXYFEBHGOJ-UHFFFAOYSA-N 1 2 289.423 3.778 40 0 CHABLO COc1cc(N)cc(Cl)c1[NH2+]C1CCCCC1 ZINC000045958885 175389317 /nfs/dbraw/zinc/38/93/17/175389317.db2.gz KYTZYBIGMIDQCG-UHFFFAOYSA-N 1 2 254.761 3.675 40 0 CHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1C ZINC000226260632 567038884 /nfs/dbraw/zinc/03/88/84/567038884.db2.gz GTCRUAPVHRKLBN-UHFFFAOYSA-N 1 2 297.402 3.676 40 0 CHABLO COc1ccc(-n2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000199733999 567049168 /nfs/dbraw/zinc/04/91/68/567049168.db2.gz XTVVSTYYLCZUGR-UHFFFAOYSA-N 1 2 252.317 3.651 40 0 CHABLO CCN(CC)c1cc(C(C)C)c2cccc(N)c2[nH+]1 ZINC000685938101 567106143 /nfs/dbraw/zinc/10/61/43/567106143.db2.gz JPSNJMJNMULLAH-UHFFFAOYSA-N 1 2 257.381 3.787 40 0 CHABLO CCN(CC)C(=S)SCc1cn2ccc(C)cc2[nH+]1 ZINC000000564655 567833774 /nfs/dbraw/zinc/83/37/74/567833774.db2.gz AFZDVUHWDHGJDL-UHFFFAOYSA-N 1 2 293.461 3.503 40 0 CHABLO CC[NH+](CC)c1ccc(C[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000001621073 567839858 /nfs/dbraw/zinc/83/98/58/567839858.db2.gz LQZWCVZVPZHHTD-FXAWDEMLSA-N 1 2 295.426 3.981 40 0 CHABLO COc1cc2cc[nH+]cc2cc1OCc1ccccc1 ZINC000001757731 567843171 /nfs/dbraw/zinc/84/31/71/567843171.db2.gz NMMLTNCMJLKZIO-UHFFFAOYSA-N 1 2 265.312 3.822 40 0 CHABLO O[C@@H](c1ccccc1)[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000031672788 567885110 /nfs/dbraw/zinc/88/51/10/567885110.db2.gz CMOPYVABRRLFCM-OALUTQOASA-N 1 2 290.366 3.968 40 0 CHABLO Cc1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)cc1Cl ZINC000049467618 567893008 /nfs/dbraw/zinc/89/30/08/567893008.db2.gz HPOJBBJQWKTNHV-UHFFFAOYSA-N 1 2 274.755 3.642 40 0 CHABLO Cc1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)cc1Cl ZINC000049467618 567893009 /nfs/dbraw/zinc/89/30/09/567893009.db2.gz HPOJBBJQWKTNHV-UHFFFAOYSA-N 1 2 274.755 3.642 40 0 CHABLO Cc1ccc2[nH]c(CCCCC(=O)OC(C)C)[nH+]c2c1 ZINC000082087180 567906771 /nfs/dbraw/zinc/90/67/71/567906771.db2.gz KWJMCBQHDBSMFG-UHFFFAOYSA-N 1 2 274.364 3.536 40 0 CHABLO Cc1ccc2[nH+]c(CCCCC(=O)OC(C)C)[nH]c2c1 ZINC000082087180 567906772 /nfs/dbraw/zinc/90/67/72/567906772.db2.gz KWJMCBQHDBSMFG-UHFFFAOYSA-N 1 2 274.364 3.536 40 0 CHABLO c1ccc(Oc2ccc(C3=[NH+]CCCC3)cn2)cc1 ZINC000072212150 567918162 /nfs/dbraw/zinc/91/81/62/567918162.db2.gz RUCQDEXGNZTHKO-UHFFFAOYSA-N 1 2 252.317 3.847 40 0 CHABLO Cc1cc(N2CCCC2)[nH+]cc1SC(C)(C)C ZINC000072223487 567922667 /nfs/dbraw/zinc/92/26/67/567922667.db2.gz QEOVDUJSRKNBSP-UHFFFAOYSA-N 1 2 250.411 3.881 40 0 CHABLO Cc1[nH+]c(NC(C)(C)C)ccc1C(=O)c1ccccc1 ZINC000072225011 567922734 /nfs/dbraw/zinc/92/27/34/567922734.db2.gz FWOGXRBAWMRYCW-UHFFFAOYSA-N 1 2 268.360 3.831 40 0 CHABLO C[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000225179204 567952779 /nfs/dbraw/zinc/95/27/79/567952779.db2.gz MWBOXJSJJVPBCB-JTQLQIEISA-N 1 2 291.807 3.783 40 0 CHABLO CCC[C@H]1[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)C[C@@]1(C)O ZINC000004301522 570293594 /nfs/dbraw/zinc/29/35/94/570293594.db2.gz KRWCRLSHEPHBQC-MGBSGCIJSA-N 1 2 289.375 3.816 40 0 CHABLO CC[N@@H+]1C=C/C(=N/c2ccc(N(C)C)cc2)c2ccccc21 ZINC000095851240 185029471 /nfs/dbraw/zinc/02/94/71/185029471.db2.gz RCSVDCBTVSJBPQ-ZZEZOPTASA-N 1 2 291.398 3.960 40 0 CHABLO CC[N@H+]1C=C/C(=N/c2ccc(N(C)C)cc2)c2ccccc21 ZINC000095851240 185029472 /nfs/dbraw/zinc/02/94/72/185029472.db2.gz RCSVDCBTVSJBPQ-ZZEZOPTASA-N 1 2 291.398 3.960 40 0 CHABLO CCC1=Nc2ccccc2NC(=[NH2+])C1c1cccs1 ZINC000020635383 171268220 /nfs/dbraw/zinc/26/82/20/171268220.db2.gz BDQYZFASVLABRS-UHFFFAOYSA-N 1 2 269.373 3.984 40 0 CHABLO O=C1CC[N@H+](Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000021987424 171345831 /nfs/dbraw/zinc/34/58/31/171345831.db2.gz SXBALVCQZRIWQR-SFHVURJKSA-N 1 2 265.356 3.593 40 0 CHABLO O=C1CC[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000021987424 171345832 /nfs/dbraw/zinc/34/58/32/171345832.db2.gz SXBALVCQZRIWQR-SFHVURJKSA-N 1 2 265.356 3.593 40 0 CHABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214011 567919267 /nfs/dbraw/zinc/91/92/67/567919267.db2.gz GCNASWILRRCXCK-MRXNPFEDSA-N 1 2 287.407 3.510 40 0 CHABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214051 567920007 /nfs/dbraw/zinc/92/00/07/567920007.db2.gz IZZSPQXIUFMQTN-MRXNPFEDSA-N 1 2 287.407 3.510 40 0 CHABLO C=Cc1c[nH+]c(N2CCc3ccccc3C2)c(C)c1 ZINC000072222857 567922112 /nfs/dbraw/zinc/92/21/12/567922112.db2.gz FOPUXQDKGPNOEJ-UHFFFAOYSA-N 1 2 250.345 3.596 40 0 CHABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCCCCC1 ZINC000072222489 567922418 /nfs/dbraw/zinc/92/24/18/567922418.db2.gz QVQWBXYKNHNBJK-SFHVURJKSA-N 1 2 296.414 3.852 40 0 CHABLO CCNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329062780 1125452391 /nfs/dbraw/zinc/45/23/91/1125452391.db2.gz WYWNZWKBSCRRGM-UHFFFAOYSA-N 1 2 288.782 3.605 40 0 CHABLO CC[C@H](C)n1c(C)[nH+]c2c1cc(C(F)(F)F)cc2N ZINC000005500013 170105167 /nfs/dbraw/zinc/10/51/67/170105167.db2.gz UZAYQTBCCKGIRU-ZETCQYMHSA-N 1 2 271.286 3.917 40 0 CHABLO Clc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000053516925 175549414 /nfs/dbraw/zinc/54/94/14/175549414.db2.gz NHYDDLJKBJSOPA-UHFFFAOYSA-N 1 2 271.751 3.506 40 0 CHABLO CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1N(C)C ZINC000062719799 521574591 /nfs/dbraw/zinc/57/45/91/521574591.db2.gz PMBAUSHBKUTQKR-UHFFFAOYSA-N 1 2 286.375 3.601 40 0 CHABLO CC[NH2+]c1ccc(N2CCCCC2)c(Br)c1 ZINC000226285065 567040440 /nfs/dbraw/zinc/04/04/40/567040440.db2.gz HSTFDJQZVRKAAN-UHFFFAOYSA-N 1 2 283.213 3.871 40 0 CHABLO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000004016124 567854491 /nfs/dbraw/zinc/85/44/91/567854491.db2.gz KRIROHZWSALYAG-DFEHZGFQSA-N 1 2 279.383 3.914 40 0 CHABLO Cc1[nH+]cc([C@@H](O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000013099143 567864717 /nfs/dbraw/zinc/86/47/17/567864717.db2.gz LDUBFHKGOKKYNV-IBGZPJMESA-N 1 2 292.382 3.630 40 0 in-vitro CHABLO Cc1[nH+]cc([C@@H](O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000013281777 567865645 /nfs/dbraw/zinc/86/56/45/567865645.db2.gz XEDGJJXZHZCQOF-IBGZPJMESA-N 1 2 292.382 3.630 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccc(Cl)c1 ZINC000019287490 567877371 /nfs/dbraw/zinc/87/73/71/567877371.db2.gz WSCOFWULFHIQNJ-WMLDXEAASA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccc(Cl)c1 ZINC000019287490 567877372 /nfs/dbraw/zinc/87/73/72/567877372.db2.gz WSCOFWULFHIQNJ-WMLDXEAASA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ccc([C@@H](C)NC(=S)Nc2cc[nH+]cc2)c(C)c1 ZINC000225479301 567953791 /nfs/dbraw/zinc/95/37/91/567953791.db2.gz RKZSIBGFUJJZEW-CYBMUJFWSA-N 1 2 285.416 3.746 40 0 CHABLO O=C(CC(c1ccccc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000095920840 185031595 /nfs/dbraw/zinc/03/15/95/185031595.db2.gz SRAWFXXOZVYZRX-UHFFFAOYSA-N 1 2 290.366 3.674 40 0 in-vitro CHABLO CC(C)CC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253640 136386531 /nfs/dbraw/zinc/38/65/31/136386531.db2.gz VHKSFYPAOIHQOW-CYBMUJFWSA-N 1 2 289.423 3.632 40 0 CHABLO CC(C)CC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253640 136386532 /nfs/dbraw/zinc/38/65/32/136386532.db2.gz VHKSFYPAOIHQOW-CYBMUJFWSA-N 1 2 289.423 3.632 40 0 CHABLO CC(C)CC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253633 136386626 /nfs/dbraw/zinc/38/66/26/136386626.db2.gz VHKSFYPAOIHQOW-ZDUSSCGKSA-N 1 2 289.423 3.632 40 0 CHABLO CC(C)CC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253633 136386627 /nfs/dbraw/zinc/38/66/27/136386627.db2.gz VHKSFYPAOIHQOW-ZDUSSCGKSA-N 1 2 289.423 3.632 40 0 CHABLO CCc1[nH+]c2cc(Br)ccc2n1C(C)C ZINC000218609168 567187683 /nfs/dbraw/zinc/18/76/83/567187683.db2.gz MQIYMLQHNXOKTQ-UHFFFAOYSA-N 1 2 267.170 3.942 40 0 CHABLO Cc1cc(NC(=O)OC(C)(C)C)c2c([nH+]1)CCCC2 ZINC000001420674 567837291 /nfs/dbraw/zinc/83/72/91/567837291.db2.gz SFNTXNOGLYOMEH-UHFFFAOYSA-N 1 2 262.353 3.616 40 0 CHABLO CC[C@@H](C)n1c(C)[nH+]c2c1cc(C(F)(F)F)cc2N ZINC000001584471 567838577 /nfs/dbraw/zinc/83/85/77/567838577.db2.gz UZAYQTBCCKGIRU-SSDOTTSWSA-N 1 2 271.286 3.917 40 0 CHABLO COC1CCC(C2=[NH+][C@@H]3CCCC[C@@H]3SC2)CC1 ZINC000031949053 567885683 /nfs/dbraw/zinc/88/56/83/567885683.db2.gz GXBXXGBYRZEHJT-SJQFEJMWSA-N 1 2 267.438 3.691 40 0 CHABLO Nc1c(Br)c[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041702277 567891305 /nfs/dbraw/zinc/89/13/05/567891305.db2.gz JNJZJPRNHZGOOD-UHFFFAOYSA-N 1 2 291.070 3.598 40 0 CHABLO Nc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c(C2CC2)n1 ZINC000049467616 567893236 /nfs/dbraw/zinc/89/32/36/567893236.db2.gz DYTMGLDRDFTDFZ-UHFFFAOYSA-N 1 2 294.280 3.699 40 0 CHABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1[C@@H](C)O ZINC000072224958 567922586 /nfs/dbraw/zinc/92/25/86/567922586.db2.gz FRQNNBRWQWXFIX-CYBMUJFWSA-N 1 2 268.360 3.528 40 0 CHABLO CCCN(CCC)c1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225281 567922663 /nfs/dbraw/zinc/92/26/63/567922663.db2.gz NMGIJTPFQNBQNK-GOSISDBHSA-N 1 2 284.403 3.790 40 0 CHABLO Cc1[nH+]c2cc(NC(=O)N(C(C)C)C(C)C)ccc2n1C ZINC000409126859 567934295 /nfs/dbraw/zinc/93/42/95/567934295.db2.gz GHIFCMIZYOLCPC-UHFFFAOYSA-N 1 2 288.395 3.532 40 0 CHABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000225482570 567953780 /nfs/dbraw/zinc/95/37/80/567953780.db2.gz DHTLCYLNCBKKEB-CQSZACIVSA-N 1 2 271.389 3.519 40 0 CHABLO Cc1[nH+]c[nH]c1CN(Cc1ccco1)Cc1ccc(F)cc1 ZINC000013992756 570285294 /nfs/dbraw/zinc/28/52/94/570285294.db2.gz PLLVAAWMTQLLLU-UHFFFAOYSA-N 1 2 299.349 3.653 40 0 CHABLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cscn1 ZINC000296661245 1127681172 /nfs/dbraw/zinc/68/11/72/1127681172.db2.gz ZTVHWMIQOMNAIY-NQBHXWOUSA-N 1 2 274.389 3.706 40 0 CHABLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(=O)OCc1ccccc1 ZINC000095864383 185030174 /nfs/dbraw/zinc/03/01/74/185030174.db2.gz CANYIAQWEWELJV-CRAIPNDOSA-N 1 2 295.382 3.565 40 0 CHABLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1C(=O)OCc1ccccc1 ZINC000095864383 185030176 /nfs/dbraw/zinc/03/01/76/185030176.db2.gz CANYIAQWEWELJV-CRAIPNDOSA-N 1 2 295.382 3.565 40 0 CHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000329039101 136377803 /nfs/dbraw/zinc/37/78/03/136377803.db2.gz RVCMVGGYSYULHF-KGLIPLIRSA-N 1 2 296.418 3.638 40 0 CHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000329039101 136377804 /nfs/dbraw/zinc/37/78/04/136377804.db2.gz RVCMVGGYSYULHF-KGLIPLIRSA-N 1 2 296.418 3.638 40 0 CHABLO c1cn2c([nH+]1)CN(Cc1ccsc1)[C@H](c1ccccc1)C2 ZINC000257336683 190036021 /nfs/dbraw/zinc/03/60/21/190036021.db2.gz YPOMDYVZMPKMPR-INIZCTEOSA-N 1 2 295.411 3.702 40 0 CHABLO CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1NC ZINC000062719788 521574611 /nfs/dbraw/zinc/57/46/11/521574611.db2.gz FAMYMHJRQZAJDV-UHFFFAOYSA-N 1 2 272.348 3.577 40 0 CHABLO Nc1cc(-c2cnsc2-c2cccc(F)c2)cc[nH+]1 ZINC000019697164 567080692 /nfs/dbraw/zinc/08/06/92/567080692.db2.gz WBHQANLZUKMCJJ-UHFFFAOYSA-N 1 2 271.320 3.593 40 0 CHABLO C[C@H]1CC[C@H](C)N1c1ccc([NH+]2CCCCC2)c(N)c1 ZINC000008701416 567082372 /nfs/dbraw/zinc/08/23/72/567082372.db2.gz ZPGCBYCQHPDAGN-KBPBESRZSA-N 1 2 273.424 3.636 40 0 CHABLO Cc1cc(N2CCCC[C@@H]2C)[nH+]c2c(N)cccc12 ZINC000685938299 567106264 /nfs/dbraw/zinc/10/62/64/567106264.db2.gz PRORHONPCARVGN-LBPRGKRZSA-N 1 2 255.365 3.504 40 0 CHABLO CC[NH+](CC)c1ccc(C[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000001621072 567839609 /nfs/dbraw/zinc/83/96/09/567839609.db2.gz LQZWCVZVPZHHTD-XLIONFOSSA-N 1 2 295.426 3.981 40 0 CHABLO COc1ccccc1C1C(C)=Nc2ccccc2NC1=[NH2+] ZINC000013637109 567866634 /nfs/dbraw/zinc/86/66/34/567866634.db2.gz FXNINUUSDPTNMD-UHFFFAOYSA-N 1 2 279.343 3.541 40 0 CHABLO CC[C@H](c1ccc(F)cc1)n1c[nH+]cc1-c1cn(C)nc1C ZINC000019719514 567878461 /nfs/dbraw/zinc/87/84/61/567878461.db2.gz KYCZOQFKJUIUGZ-MRXNPFEDSA-N 1 2 298.365 3.731 40 0 CHABLO COc1cc2[nH+]ccc(Oc3cccc(N)c3)c2cc1OC ZINC000013859457 567894401 /nfs/dbraw/zinc/89/44/01/567894401.db2.gz KOTHQRYMXOUUHZ-UHFFFAOYSA-N 1 2 296.326 3.627 40 0 in-vivo CHABLO Clc1cc2c(nc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000096511325 567897990 /nfs/dbraw/zinc/89/79/90/567897990.db2.gz DGJYZGVEAURUTF-UHFFFAOYSA-N 1 2 293.197 3.947 40 0 CHABLO Clc1cc2c(nc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000096511325 567897991 /nfs/dbraw/zinc/89/79/91/567897991.db2.gz DGJYZGVEAURUTF-UHFFFAOYSA-N 1 2 293.197 3.947 40 0 CHABLO C[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000225179163 567952728 /nfs/dbraw/zinc/95/27/28/567952728.db2.gz MWBOXJSJJVPBCB-SNVBAGLBSA-N 1 2 291.807 3.783 40 0 CHABLO S=C(Nc1cc[nH+]cc1)NC1(c2ccccc2)CCCC1 ZINC000225874241 567955452 /nfs/dbraw/zinc/95/54/52/567955452.db2.gz SQMIWUHHIALLOC-UHFFFAOYSA-N 1 2 297.427 3.838 40 0 CHABLO CCC(=O)Nc1cc([N@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216865050 570346797 /nfs/dbraw/zinc/34/67/97/570346797.db2.gz DNNMJZUXQMPDGO-BETUJISGSA-N 1 2 289.423 3.693 40 0 CHABLO CCC(=O)Nc1cc([N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216865050 570346800 /nfs/dbraw/zinc/34/68/00/570346800.db2.gz DNNMJZUXQMPDGO-BETUJISGSA-N 1 2 289.423 3.693 40 0 CHABLO Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257315655 190033123 /nfs/dbraw/zinc/03/31/23/190033123.db2.gz VCHIGCDOELLXRL-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257315655 190033124 /nfs/dbraw/zinc/03/31/24/190033124.db2.gz VCHIGCDOELLXRL-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO Cc1cc(OCC(=O)Nc2ccccc2)c2ccccc2[nH+]1 ZINC000192192051 566973469 /nfs/dbraw/zinc/97/34/69/566973469.db2.gz PINWOXLFBSQKTA-UHFFFAOYSA-N 1 2 292.338 3.561 40 0 CHABLO C[NH2+]c1ccc(N2CCCC[C@@H]2C)c(Br)c1 ZINC000226275547 567041098 /nfs/dbraw/zinc/04/10/98/567041098.db2.gz GOHMVGUDGVUIDZ-JTQLQIEISA-N 1 2 283.213 3.870 40 0 CHABLO Cc1cc[nH+]c(N(C(=O)OC(C)(C)C)N2CCCCC2)c1 ZINC000199720433 567049700 /nfs/dbraw/zinc/04/97/00/567049700.db2.gz IMDJXBCOSYKVDA-UHFFFAOYSA-N 1 2 291.395 3.532 40 0 CHABLO C[C@@H]1CC[C@@H](C)N1c1ccc([NH+]2CCCCC2)c(N)c1 ZINC000008701417 567080452 /nfs/dbraw/zinc/08/04/52/567080452.db2.gz ZPGCBYCQHPDAGN-ZIAGYGMSSA-N 1 2 273.424 3.636 40 0 CHABLO Cc1cc(N2CCCC[C@H]2C)[nH+]c2c(O)cccc12 ZINC000685938265 567106338 /nfs/dbraw/zinc/10/63/38/567106338.db2.gz NWNIAYIOJFCBJJ-GFCCVEGCSA-N 1 2 256.349 3.628 40 0 CHABLO COc1cc2cc[nH+]c(Cc3ccccc3)c2cc1OC ZINC000001669230 567840632 /nfs/dbraw/zinc/84/06/32/567840632.db2.gz FDEYTMQYESXADG-UHFFFAOYSA-N 1 2 279.339 3.843 40 0 CHABLO CNc1[nH+]cc([C@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000072218978 567921473 /nfs/dbraw/zinc/92/14/73/567921473.db2.gz YNRKOYJQASBEOD-CYBMUJFWSA-N 1 2 291.395 3.504 40 0 CHABLO CC[C@H](O)c1c[nH+]c(N(C)c2ccccc2)cc1C ZINC000072223343 567922209 /nfs/dbraw/zinc/92/22/09/567922209.db2.gz LQTQZWWYHKICQB-HNNXBMFYSA-N 1 2 256.349 3.601 40 0 CHABLO CCC(=O)c1c[nH+]c(NCc2ccccc2)cc1C ZINC000072223366 567922322 /nfs/dbraw/zinc/92/23/22/567922322.db2.gz PCZUKJHFGRSEQJ-UHFFFAOYSA-N 1 2 254.333 3.595 40 0 CHABLO O[C@@H](c1ccccc1)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225350 567922386 /nfs/dbraw/zinc/92/23/86/567922386.db2.gz PTDNCAUROHUQET-IBGZPJMESA-N 1 2 290.366 3.775 40 0 CHABLO CC[C@@H](O)c1ccc(N(C)c2ccccc2)[nH+]c1C ZINC000072224386 567922506 /nfs/dbraw/zinc/92/25/06/567922506.db2.gz PWCCHHFXKONHNR-OAHLLOKOSA-N 1 2 256.349 3.601 40 0 CHABLO CCC(=O)c1c[nH+]c(N2CCc3ccccc3C2)cc1C ZINC000072223887 567922553 /nfs/dbraw/zinc/92/25/53/567922553.db2.gz GWLFQHXIMJFPQJ-UHFFFAOYSA-N 1 2 280.371 3.545 40 0 CHABLO c1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000068605323 570304219 /nfs/dbraw/zinc/30/42/19/570304219.db2.gz IGIUIKGIKDZXLT-UHFFFAOYSA-N 1 2 262.356 3.726 40 0 CHABLO c1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000068605323 570304220 /nfs/dbraw/zinc/30/42/20/570304220.db2.gz IGIUIKGIKDZXLT-UHFFFAOYSA-N 1 2 262.356 3.726 40 0 CHABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328959397 202130811 /nfs/dbraw/zinc/13/08/11/202130811.db2.gz ATXABAGKIBZTON-UHFFFAOYSA-N 1 2 298.365 3.541 40 0 CHABLO Cc1cc(Nc2ccc(O)cc2)[nH+]c2ccccc12 ZINC000005330641 170086206 /nfs/dbraw/zinc/08/62/06/170086206.db2.gz IOKFRVJLNKJZEL-UHFFFAOYSA-N 1 2 250.301 3.992 40 0 CHABLO CCCNc1[nH+]c(C)nc2[nH]c(Cc3ccccc3)c(C)c21 ZINC000001584924 567838778 /nfs/dbraw/zinc/83/87/78/567838778.db2.gz AJGDFYDFBKRGGG-UHFFFAOYSA-N 1 2 294.402 3.987 40 0 CHABLO ClC(Cl)(Cl)[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000023583904 567881870 /nfs/dbraw/zinc/88/18/70/567881870.db2.gz DPPAKKMPHBZNQA-LLVKDONJSA-N 1 2 289.593 3.725 40 0 in-vitro CHABLO COC1CCC(C2=[NH+][C@@H]3CCCC[C@H]3SC2)CC1 ZINC000031949056 567885699 /nfs/dbraw/zinc/88/56/99/567885699.db2.gz GXBXXGBYRZEHJT-UJFKTDLFSA-N 1 2 267.438 3.691 40 0 CHABLO Clc1cccc2c1[C@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC000064219025 567898121 /nfs/dbraw/zinc/89/81/21/567898121.db2.gz GLSMGFUBVXKHNJ-MRXNPFEDSA-N 1 2 269.775 3.996 40 0 CHABLO Clc1cccc2c1[C@H]1Cc3ccccc3C[N@H+]1CC2 ZINC000064219025 567898122 /nfs/dbraw/zinc/89/81/22/567898122.db2.gz GLSMGFUBVXKHNJ-MRXNPFEDSA-N 1 2 269.775 3.996 40 0 CHABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1[C@H](C)O ZINC000072224959 567922612 /nfs/dbraw/zinc/92/26/12/567922612.db2.gz FRQNNBRWQWXFIX-ZDUSSCGKSA-N 1 2 268.360 3.528 40 0 CHABLO O[C@H](c1ccccc1)c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072225473 567922707 /nfs/dbraw/zinc/92/27/07/567922707.db2.gz LNYDYWVCSRWOMX-GOSISDBHSA-N 1 2 282.387 3.544 40 0 CHABLO Cc1cc(C)n(-c2cc(Nc3ccccc3C)[nH+]c(C)n2)n1 ZINC000000357242 567929661 /nfs/dbraw/zinc/92/96/61/567929661.db2.gz MUNFYQBCWCDFJV-UHFFFAOYSA-N 1 2 293.374 3.640 40 0 CHABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000225482603 567953613 /nfs/dbraw/zinc/95/36/13/567953613.db2.gz DHTLCYLNCBKKEB-AWEZNQCLSA-N 1 2 271.389 3.519 40 0 CHABLO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cscn1 ZINC000296661249 1127680936 /nfs/dbraw/zinc/68/09/36/1127680936.db2.gz ZTVHWMIQOMNAIY-NTZNESFSSA-N 1 2 274.389 3.706 40 0 CHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000329039103 136377488 /nfs/dbraw/zinc/37/74/88/136377488.db2.gz RVCMVGGYSYULHF-ZIAGYGMSSA-N 1 2 296.418 3.638 40 0 CHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000329039103 136377489 /nfs/dbraw/zinc/37/74/89/136377489.db2.gz RVCMVGGYSYULHF-ZIAGYGMSSA-N 1 2 296.418 3.638 40 0 CHABLO CCOc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000005615656 170120335 /nfs/dbraw/zinc/12/03/35/170120335.db2.gz VXVTXRLAPHUATA-UHFFFAOYSA-N 1 2 270.376 3.763 40 0 CHABLO COc1ccccc1-n1c[nH+]c2cc(C)c(C)cc21 ZINC000199728463 567048796 /nfs/dbraw/zinc/04/87/96/567048796.db2.gz TUKDYGGOASOFEM-UHFFFAOYSA-N 1 2 252.317 3.651 40 0 CHABLO Cc1cc[nH+]c(Nc2cccc(Br)c2)c1 ZINC000199713200 567049250 /nfs/dbraw/zinc/04/92/50/567049250.db2.gz SOYWNAKSJKACAS-UHFFFAOYSA-N 1 2 263.138 3.896 40 0 CHABLO CCN(CC)c1cc(C(C)C)c2cccc(O)c2[nH+]1 ZINC000685938477 567105800 /nfs/dbraw/zinc/10/58/00/567105800.db2.gz ULLQYUVTOCGGHK-UHFFFAOYSA-N 1 2 258.365 3.910 40 0 CHABLO c1ccc(N2N=N[C@@H]3CCCC[C@]32[NH+]2CCCCC2)cc1 ZINC000001720265 567842503 /nfs/dbraw/zinc/84/25/03/567842503.db2.gz UETWMCKMAXGEOO-IAGOWNOFSA-N 1 2 284.407 3.999 40 0 CHABLO O=C1C[N@H+]2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cccc12 ZINC000013146943 567865297 /nfs/dbraw/zinc/86/52/97/567865297.db2.gz HREIQFLOPSXSOD-OXBCTQFSSA-N 1 2 298.773 3.524 40 0 CHABLO O=C1C[N@@H+]2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cccc12 ZINC000013146943 567865298 /nfs/dbraw/zinc/86/52/98/567865298.db2.gz HREIQFLOPSXSOD-OXBCTQFSSA-N 1 2 298.773 3.524 40 0 CHABLO CC(C)c1[nH+]cc(CO)n1Cc1c(Cl)cccc1Cl ZINC000013283667 567865760 /nfs/dbraw/zinc/86/57/60/567865760.db2.gz BDVZDTTUVSWMLX-UHFFFAOYSA-N 1 2 299.201 3.854 40 0 CHABLO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000014982324 567869973 /nfs/dbraw/zinc/86/99/73/567869973.db2.gz XNEVATPUJAWEMS-CYBMUJFWSA-N 1 2 253.773 3.512 40 0 CHABLO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000014982324 567869974 /nfs/dbraw/zinc/86/99/74/567869974.db2.gz XNEVATPUJAWEMS-CYBMUJFWSA-N 1 2 253.773 3.512 40 0 CHABLO C[C@]1(c2ccccc2)OC(=[NH2+])Nc2ccc(Cl)cc21 ZINC000035088656 567888947 /nfs/dbraw/zinc/88/89/47/567888947.db2.gz PGSDPKVMKMOURZ-OAHLLOKOSA-N 1 2 272.735 3.980 40 0 in-vitro CHABLO Nc1cc(Nc2ccccc2F)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467930 567893142 /nfs/dbraw/zinc/89/31/42/567893142.db2.gz RWHSNTJREIQKEL-UHFFFAOYSA-N 1 2 298.296 3.748 40 0 CHABLO Nc1ccc2[nH]c(-c3cccc4ccccc43)[nH+]c2c1 ZINC000019807310 567944881 /nfs/dbraw/zinc/94/48/81/567944881.db2.gz VJJAFDXUGDCGKB-UHFFFAOYSA-N 1 2 259.312 3.965 40 0 CHABLO CCc1[nH+]c(C)ccc1Oc1ccc(Br)cn1 ZINC000232204358 570410540 /nfs/dbraw/zinc/41/05/40/570410540.db2.gz YMXVNVWJHWSTDM-UHFFFAOYSA-N 1 2 293.164 3.902 40 0 CHABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226253416 136386383 /nfs/dbraw/zinc/38/63/83/136386383.db2.gz LUSFDUUEFBPUAH-LBPRGKRZSA-N 1 2 289.423 3.632 40 0 CHABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226253416 136386384 /nfs/dbraw/zinc/38/63/84/136386384.db2.gz LUSFDUUEFBPUAH-LBPRGKRZSA-N 1 2 289.423 3.632 40 0 CHABLO Fc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1Cl ZINC000257259070 190021515 /nfs/dbraw/zinc/02/15/15/190021515.db2.gz KWSUKRYUFPZBPK-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1Cl ZINC000257259070 190021516 /nfs/dbraw/zinc/02/15/16/190021516.db2.gz KWSUKRYUFPZBPK-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO CC(C)(C)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000005114323 170067211 /nfs/dbraw/zinc/06/72/11/170067211.db2.gz JRGUJQIBKGUMHR-KBPBESRZSA-N 1 2 294.782 3.521 40 0 CHABLO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000014982326 567869852 /nfs/dbraw/zinc/86/98/52/567869852.db2.gz XNEVATPUJAWEMS-ZDUSSCGKSA-N 1 2 253.773 3.512 40 0 CHABLO CC(C)(C)[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000014982326 567869853 /nfs/dbraw/zinc/86/98/53/567869853.db2.gz XNEVATPUJAWEMS-ZDUSSCGKSA-N 1 2 253.773 3.512 40 0 CHABLO CC(C)[C@H]1CCCCN1c1ccc2cccc(O)c2[nH+]1 ZINC000685938236 567107117 /nfs/dbraw/zinc/10/71/17/567107117.db2.gz MHFOEZIKRUIWPX-CQSZACIVSA-N 1 2 270.376 3.955 40 0 CHABLO CSc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000001655456 567840403 /nfs/dbraw/zinc/84/04/03/567840403.db2.gz GGWRPUQKOMHVBV-UHFFFAOYSA-N 1 2 254.358 3.876 40 0 CHABLO Nc1ccc(-c2ccccc2OCc2ccccc2)c[nH+]1 ZINC000016948027 567874228 /nfs/dbraw/zinc/87/42/28/567874228.db2.gz DDCCHZTWYUSBQS-UHFFFAOYSA-N 1 2 276.339 3.910 40 0 CHABLO Nc1cc(Nc2ccc(Cl)c(Cl)c2)[nH+]c(C2CC2)n1 ZINC000049467609 567893020 /nfs/dbraw/zinc/89/30/20/567893020.db2.gz OTYLZFXCSQFTCF-UHFFFAOYSA-N 1 2 295.173 3.987 40 0 CHABLO CCSc1nc(Nc2ccccc2Cl)cc(N)[nH+]1 ZINC000049467551 567893164 /nfs/dbraw/zinc/89/31/64/567893164.db2.gz FOVCCZDZNGUFCS-UHFFFAOYSA-N 1 2 280.784 3.568 40 0 CHABLO CCSc1nc(Nc2ccc(C)c(Cl)c2)cc(N)[nH+]1 ZINC000049467510 567893276 /nfs/dbraw/zinc/89/32/76/567893276.db2.gz SVWOFLAYFVTBPM-UHFFFAOYSA-N 1 2 294.811 3.876 40 0 CHABLO CCSc1nc(N)cc(Nc2ccc(C)c(Cl)c2)[nH+]1 ZINC000049467510 567893278 /nfs/dbraw/zinc/89/32/78/567893278.db2.gz SVWOFLAYFVTBPM-UHFFFAOYSA-N 1 2 294.811 3.876 40 0 CHABLO CC[C@@H](O)c1c[nH+]c(N(C)c2ccccc2)c(C)c1 ZINC000072222305 567922252 /nfs/dbraw/zinc/92/22/52/567922252.db2.gz LUFOKLQDZZELNW-OAHLLOKOSA-N 1 2 256.349 3.601 40 0 CHABLO Cc1[nH+]ccc2c3cc(Br)ccc3[nH]c21 ZINC000013379706 567941446 /nfs/dbraw/zinc/94/14/46/567941446.db2.gz MGPZBLVKGVLQIV-UHFFFAOYSA-N 1 2 261.122 3.787 40 0 CHABLO CC[C@H](CNC(=S)Nc1cc[nH+]cc1)Cc1ccccc1 ZINC000225634087 567954373 /nfs/dbraw/zinc/95/43/73/567954373.db2.gz ACDWRELTIRKVGR-AWEZNQCLSA-N 1 2 299.443 3.637 40 0 CHABLO COc1cc(C[N@H+](C)[C@H](C)c2ccco2)c(Cl)cc1O ZINC000013568972 570284676 /nfs/dbraw/zinc/28/46/76/570284676.db2.gz LIHBLAPREXWPIE-SNVBAGLBSA-N 1 2 295.766 3.840 40 0 CHABLO COc1cc(C[N@@H+](C)[C@H](C)c2ccco2)c(Cl)cc1O ZINC000013568972 570284680 /nfs/dbraw/zinc/28/46/80/570284680.db2.gz LIHBLAPREXWPIE-SNVBAGLBSA-N 1 2 295.766 3.840 40 0 CHABLO Fc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)ccc1Cl ZINC000257259071 190021860 /nfs/dbraw/zinc/02/18/60/190021860.db2.gz KWSUKRYUFPZBPK-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1Cl ZINC000257259071 190021861 /nfs/dbraw/zinc/02/18/61/190021861.db2.gz KWSUKRYUFPZBPK-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO Clc1cccc(Cl)c1C[NH2+]Cc1ccco1 ZINC000007523624 170288963 /nfs/dbraw/zinc/28/89/63/170288963.db2.gz XJQDXGOEVIZSEB-UHFFFAOYSA-N 1 2 256.132 3.876 40 0 CHABLO CCC1=Nc2ccccc2NC(=[NH2+])C1c1ccccc1 ZINC000008733478 170351806 /nfs/dbraw/zinc/35/18/06/170351806.db2.gz HBLAAMQYAWAROX-UHFFFAOYSA-N 1 2 263.344 3.922 40 0 CHABLO O=C(CCCCCc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000002528721 567001690 /nfs/dbraw/zinc/00/16/90/567001690.db2.gz JPFKHCKWTSXIST-UHFFFAOYSA-N 1 2 284.281 3.797 40 0 CHABLO Cc1cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2o1 ZINC000019126662 567877245 /nfs/dbraw/zinc/87/72/45/567877245.db2.gz HRMHKNNNNKBPBR-NSHDSACASA-N 1 2 283.331 3.528 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccc(Cl)c1 ZINC000019287491 567877626 /nfs/dbraw/zinc/87/76/26/567877626.db2.gz WSCOFWULFHIQNJ-PBHICJAKSA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1 ZINC000019287491 567877627 /nfs/dbraw/zinc/87/76/27/567877627.db2.gz WSCOFWULFHIQNJ-PBHICJAKSA-N 1 2 299.805 3.700 40 0 CHABLO COC1CCC(C2=[NH+][C@H]3CCCC[C@@H]3SC2)CC1 ZINC000031949054 567885762 /nfs/dbraw/zinc/88/57/62/567885762.db2.gz GXBXXGBYRZEHJT-DVTFPSANSA-N 1 2 267.438 3.691 40 0 CHABLO CC(C)(C)c1ccc(-c2[nH+]c(CO)c3ccccn32)cc1 ZINC000036644035 567889747 /nfs/dbraw/zinc/88/97/47/567889747.db2.gz BNUZLJCLYDNXJL-UHFFFAOYSA-N 1 2 280.371 3.791 40 0 CHABLO O[C@@H](c1ccccc1)c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072225472 567922572 /nfs/dbraw/zinc/92/25/72/567922572.db2.gz LNYDYWVCSRWOMX-SFHVURJKSA-N 1 2 282.387 3.544 40 0 CHABLO Cc1[nH+]c2cc(NC(=O)N(C)c3ccccc3)ccc2n1C ZINC000409123819 567934313 /nfs/dbraw/zinc/93/43/13/567934313.db2.gz IUNCWLXJZGBJCW-UHFFFAOYSA-N 1 2 294.358 3.550 40 0 CHABLO C[C@H]1[C@H](N2CNc3[nH+]c4ccccc4n3C2)CCC[C@@H]1C ZINC000004149134 1120675459 /nfs/dbraw/zinc/67/54/59/1120675459.db2.gz KHXBHMXDHPEFQC-GZBFAFLISA-N 1 2 284.407 3.504 40 0 CHABLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1C(=O)OCc1ccccc1 ZINC000095864384 185030180 /nfs/dbraw/zinc/03/01/80/185030180.db2.gz CANYIAQWEWELJV-YJBOKZPZSA-N 1 2 295.382 3.565 40 0 CHABLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1C(=O)OCc1ccccc1 ZINC000095864384 185030181 /nfs/dbraw/zinc/03/01/81/185030181.db2.gz CANYIAQWEWELJV-YJBOKZPZSA-N 1 2 295.382 3.565 40 0 CHABLO CNc1nc(Nc2ccc(Cl)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329014032 202151141 /nfs/dbraw/zinc/15/11/41/202151141.db2.gz MTZLUMXMPUHGLU-UHFFFAOYSA-N 1 2 288.782 3.523 40 0 CHABLO Cc1[nH+]c(N2CCCCCC2)ccc1[C@H](O)c1ccccc1 ZINC000072224575 256704163 /nfs/dbraw/zinc/70/41/63/256704163.db2.gz HISZIDVUYJQXOK-LJQANCHMSA-N 1 2 296.414 3.852 40 0 CHABLO Cc1cc(N(C(C)C)C(C)C)[nH+]c2c(O)cccc12 ZINC000685938210 567106012 /nfs/dbraw/zinc/10/60/12/567106012.db2.gz LRXXOOGJVNLWBH-UHFFFAOYSA-N 1 2 258.365 3.872 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccccc1Cl ZINC000019287496 567877488 /nfs/dbraw/zinc/87/74/88/567877488.db2.gz BRIMBVNNBNSQCR-SUMWQHHRSA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccccc1Cl ZINC000019287496 567877489 /nfs/dbraw/zinc/87/74/89/567877489.db2.gz BRIMBVNNBNSQCR-SUMWQHHRSA-N 1 2 299.805 3.700 40 0 CHABLO CCCCSC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000031666581 567885068 /nfs/dbraw/zinc/88/50/68/567885068.db2.gz ZSGVRZATEBHZOK-UHFFFAOYSA-N 1 2 278.465 3.608 40 0 CHABLO CCSc1nc(Nc2ccc(Cl)cc2)cc(N)[nH+]1 ZINC000049467491 567893154 /nfs/dbraw/zinc/89/31/54/567893154.db2.gz AKKJTMCMKPLENZ-UHFFFAOYSA-N 1 2 280.784 3.568 40 0 CHABLO CCSc1nc(N)cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000049467491 567893155 /nfs/dbraw/zinc/89/31/55/567893155.db2.gz AKKJTMCMKPLENZ-UHFFFAOYSA-N 1 2 280.784 3.568 40 0 CHABLO CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212504 567918103 /nfs/dbraw/zinc/91/81/03/567918103.db2.gz YUMGXJVCUVTBKO-CYBMUJFWSA-N 1 2 291.395 3.585 40 0 CHABLO CCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213071 567918203 /nfs/dbraw/zinc/91/82/03/567918203.db2.gz AUSBLZLIGQUQKD-ZDUSSCGKSA-N 1 2 291.395 3.585 40 0 CHABLO CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212564 567918615 /nfs/dbraw/zinc/91/86/15/567918615.db2.gz YFLCGDGCSSHUTN-CYBMUJFWSA-N 1 2 291.395 3.585 40 0 CHABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214050 567919486 /nfs/dbraw/zinc/91/94/86/567919486.db2.gz IZZSPQXIUFMQTN-INIZCTEOSA-N 1 2 287.407 3.510 40 0 CHABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1NC(C)(C)C ZINC000072222930 567922134 /nfs/dbraw/zinc/92/21/34/567922134.db2.gz BVCHAJIPQSECIF-OAHLLOKOSA-N 1 2 270.376 3.682 40 0 CHABLO CC[C@@H](O)c1c[nH+]c(N(C)c2ccccc2)cc1C ZINC000072223344 567922409 /nfs/dbraw/zinc/92/24/09/567922409.db2.gz LQTQZWWYHKICQB-OAHLLOKOSA-N 1 2 256.349 3.601 40 0 CHABLO CCC(=O)c1ccc(N(C)Cc2ccccc2)[nH+]c1C ZINC000072224435 567922738 /nfs/dbraw/zinc/92/27/38/567922738.db2.gz CCWQDDWUZHXKNC-UHFFFAOYSA-N 1 2 268.360 3.619 40 0 CHABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(C)cc1 ZINC000225486519 567953787 /nfs/dbraw/zinc/95/37/87/567953787.db2.gz ARSFYSRUGZGIFA-OAHLLOKOSA-N 1 2 285.416 3.828 40 0 CHABLO COc1cc(C[N@H+](C)[C@@H](C)c2ccco2)c(Cl)cc1O ZINC000013568971 570284774 /nfs/dbraw/zinc/28/47/74/570284774.db2.gz LIHBLAPREXWPIE-JTQLQIEISA-N 1 2 295.766 3.840 40 0 CHABLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)c(Cl)cc1O ZINC000013568971 570284775 /nfs/dbraw/zinc/28/47/75/570284775.db2.gz LIHBLAPREXWPIE-JTQLQIEISA-N 1 2 295.766 3.840 40 0 CHABLO COC(=O)c1ccc(Nc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000064874562 570392895 /nfs/dbraw/zinc/39/28/95/570392895.db2.gz TYNHJRJMBCHOQU-UHFFFAOYSA-N 1 2 296.301 3.904 40 0 CHABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1C ZINC000225759364 529582800 /nfs/dbraw/zinc/58/28/00/529582800.db2.gz RLDFLSLKXIQXNI-HNNXBMFYSA-N 1 2 285.416 3.828 40 0 CHABLO C[NH2+]c1ccc(N2CCCC[C@H]2C)c(Br)c1 ZINC000226275554 136386411 /nfs/dbraw/zinc/38/64/11/136386411.db2.gz GOHMVGUDGVUIDZ-SNVBAGLBSA-N 1 2 283.213 3.870 40 0 CHABLO CCC1=Nc2ccccc2NC(=[NH2+])C1c1ccccc1OC ZINC000020635380 171268288 /nfs/dbraw/zinc/26/82/88/171268288.db2.gz IZXPNVOKRLPAHR-UHFFFAOYSA-N 1 2 293.370 3.931 40 0 CHABLO CCC1=Nc2ccccc2NC(=[NH2+])C1c1ccc(OC)cc1 ZINC000020635371 171268512 /nfs/dbraw/zinc/26/85/12/171268512.db2.gz JDDUNEWLJXXOMH-UHFFFAOYSA-N 1 2 293.370 3.931 40 0 CHABLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938675 567208348 /nfs/dbraw/zinc/20/83/48/567208348.db2.gz ZCINAZUFPUIZTF-TXEJJXNPSA-N 1 2 270.376 3.731 40 0 CHABLO S=c1oc(-c2ccccc2Cl)nn1C[NH+]1CCCC1 ZINC000004523495 567857895 /nfs/dbraw/zinc/85/78/95/567857895.db2.gz YMFUCCQWAZIRBL-UHFFFAOYSA-N 1 2 295.795 3.579 40 0 CHABLO Cc1cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2o1 ZINC000019126666 567877637 /nfs/dbraw/zinc/87/76/37/567877637.db2.gz HRMHKNNNNKBPBR-LLVKDONJSA-N 1 2 283.331 3.528 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(Cl)cc1 ZINC000019287485 567877653 /nfs/dbraw/zinc/87/76/53/567877653.db2.gz YSTXAYMWXJLSHB-WMLDXEAASA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019287485 567877654 /nfs/dbraw/zinc/87/76/54/567877654.db2.gz YSTXAYMWXJLSHB-WMLDXEAASA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)o1 ZINC000013990998 567912228 /nfs/dbraw/zinc/91/22/28/567912228.db2.gz BCDSBAAPBUWPML-UHFFFAOYSA-N 1 2 293.370 3.580 40 0 CHABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214012 567918994 /nfs/dbraw/zinc/91/89/94/567918994.db2.gz GCNASWILRRCXCK-INIZCTEOSA-N 1 2 287.407 3.510 40 0 CHABLO O[C@H](c1ccccc1)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225349 567922186 /nfs/dbraw/zinc/92/21/86/567922186.db2.gz PTDNCAUROHUQET-LJQANCHMSA-N 1 2 290.366 3.775 40 0 CHABLO CCC[C@H]1[C@H](c2ccco2)[NH2+][C@H](c2ccco2)C[C@@]1(C)O ZINC000001314812 567931611 /nfs/dbraw/zinc/93/16/11/567931611.db2.gz KRWCRLSHEPHBQC-WRFANHODSA-N 1 2 289.375 3.816 40 0 CHABLO Clc1ccc(C2=CSC3=[NH+]CCCCN23)cc1 ZINC000006225415 570216638 /nfs/dbraw/zinc/21/66/38/570216638.db2.gz BUVCVOSFKQUGMV-UHFFFAOYSA-N 1 2 264.781 3.837 40 0 CHABLO CNc1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329064037 570337994 /nfs/dbraw/zinc/33/79/94/570337994.db2.gz XHIUVFBWAJHYGN-UHFFFAOYSA-N 1 2 290.370 3.659 40 0 CHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000329039100 136377624 /nfs/dbraw/zinc/37/76/24/136377624.db2.gz RVCMVGGYSYULHF-KBPBESRZSA-N 1 2 296.418 3.638 40 0 CHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000329039100 136377625 /nfs/dbraw/zinc/37/76/25/136377625.db2.gz RVCMVGGYSYULHF-KBPBESRZSA-N 1 2 296.418 3.638 40 0 CHABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)c1 ZINC000257209581 190012432 /nfs/dbraw/zinc/01/24/32/190012432.db2.gz BQYSERLCBBSRFZ-MRXNPFEDSA-N 1 2 295.411 3.702 40 0 CHABLO Cc1[nH]c(-c2ccc(O)cc2)[nH+]c1-c1ccccc1 ZINC000005401276 170094868 /nfs/dbraw/zinc/09/48/68/170094868.db2.gz WGERFKZSXJAROS-UHFFFAOYSA-N 1 2 250.301 3.758 40 0 CHABLO COc1ccc(OCCn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040224065 174208302 /nfs/dbraw/zinc/20/83/02/174208302.db2.gz AJBONCIRRJYVLP-UHFFFAOYSA-N 1 2 296.370 3.741 40 0 CHABLO Cc1cccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)c1 ZINC000049467915 175480941 /nfs/dbraw/zinc/48/09/41/175480941.db2.gz XZTZPJACACUDQJ-UHFFFAOYSA-N 1 2 294.333 3.917 40 0 CHABLO Cc1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)c1 ZINC000049467915 175480942 /nfs/dbraw/zinc/48/09/42/175480942.db2.gz XZTZPJACACUDQJ-UHFFFAOYSA-N 1 2 294.333 3.917 40 0 CHABLO C[C@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000055483911 518183969 /nfs/dbraw/zinc/18/39/69/518183969.db2.gz IKSGNXSKFBMJLS-QANKJYHBSA-N 1 2 265.356 3.668 40 0 CHABLO COc1cccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)c1 ZINC000070462780 566865288 /nfs/dbraw/zinc/86/52/88/566865288.db2.gz SPQTUIZZPLBIPO-UHFFFAOYSA-N 1 2 252.317 3.855 40 0 CHABLO COc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1OC ZINC000070462783 566866092 /nfs/dbraw/zinc/86/60/92/566866092.db2.gz FIKNAWLMXAYEDC-UHFFFAOYSA-N 1 2 282.343 3.864 40 0 CHABLO Cc1[nH+]c(N2CCCC2)ccc1SC(C)(C)C ZINC000072224531 567922509 /nfs/dbraw/zinc/92/25/09/567922509.db2.gz WBCBVBZLZBPIAV-UHFFFAOYSA-N 1 2 250.411 3.881 40 0 CHABLO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055182974 570241619 /nfs/dbraw/zinc/24/16/19/570241619.db2.gz KRIROHZWSALYAG-USJZOSNVSA-N 1 2 279.383 3.914 40 0 CHABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226253412 136386716 /nfs/dbraw/zinc/38/67/16/136386716.db2.gz LUSFDUUEFBPUAH-GFCCVEGCSA-N 1 2 289.423 3.632 40 0 CHABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226253412 136386717 /nfs/dbraw/zinc/38/67/17/136386717.db2.gz LUSFDUUEFBPUAH-GFCCVEGCSA-N 1 2 289.423 3.632 40 0 CHABLO Cc1cc2[nH+]c(-c3cccc(N)c3C)[nH]c2c(C)c1 ZINC000070462791 566866589 /nfs/dbraw/zinc/86/65/89/566866589.db2.gz DEPCCWLOKXDWBX-UHFFFAOYSA-N 1 2 251.333 3.737 40 0 CHABLO Cc1cc(N2CCCC[C@@H]2C)[nH+]c2c(O)cccc12 ZINC000685938266 567106282 /nfs/dbraw/zinc/10/62/82/567106282.db2.gz NWNIAYIOJFCBJJ-LBPRGKRZSA-N 1 2 256.349 3.628 40 0 CHABLO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N@@H+]1C ZINC000004692427 567859168 /nfs/dbraw/zinc/85/91/68/567859168.db2.gz MTMBEFUBDMHEMV-CVEARBPZSA-N 1 2 293.410 3.654 40 0 CHABLO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N@H+]1C ZINC000004692427 567859169 /nfs/dbraw/zinc/85/91/69/567859169.db2.gz MTMBEFUBDMHEMV-CVEARBPZSA-N 1 2 293.410 3.654 40 0 CHABLO CCOCCn1c2ccccc2[nH+]c1C(CC)CC ZINC000082087038 567906923 /nfs/dbraw/zinc/90/69/23/567906923.db2.gz SHTFEGOGUQXSBS-UHFFFAOYSA-N 1 2 260.381 3.976 40 0 CHABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1NC(C)(C)C ZINC000072222931 567922361 /nfs/dbraw/zinc/92/23/61/567922361.db2.gz BVCHAJIPQSECIF-HNNXBMFYSA-N 1 2 270.376 3.682 40 0 CHABLO Cc1[nH+]c(N2CCCCCC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224576 567922714 /nfs/dbraw/zinc/92/27/14/567922714.db2.gz HISZIDVUYJQXOK-IBGZPJMESA-N 1 2 296.414 3.852 40 0 CHABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1[C@H](C)O ZINC000072223917 567922789 /nfs/dbraw/zinc/92/27/89/567922789.db2.gz AQHLSWMDFBMRPO-ZDUSSCGKSA-N 1 2 268.360 3.528 40 0 CHABLO COC(=O)c1cccc(Nc2cc[nH+]c3cc(F)ccc23)c1 ZINC000064874565 570392983 /nfs/dbraw/zinc/39/29/83/570392983.db2.gz HRVKHFMWGWPZSB-UHFFFAOYSA-N 1 2 296.301 3.904 40 0 CHABLO CCCN(CCC)c1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225282 256704092 /nfs/dbraw/zinc/70/40/92/256704092.db2.gz NMGIJTPFQNBQNK-SFHVURJKSA-N 1 2 284.403 3.790 40 0 CHABLO Cc1[nH+]cc([C@H](O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000005504113 170105556 /nfs/dbraw/zinc/10/55/56/170105556.db2.gz XEDGJJXZHZCQOF-LJQANCHMSA-N 1 2 292.382 3.630 40 0 CHABLO CC1(C)CCc2c3[nH+]c[nH]c3c3ccccc3c2O1 ZINC000071404307 176155297 /nfs/dbraw/zinc/15/52/97/176155297.db2.gz VBZMEHNTFOKKEO-UHFFFAOYSA-N 1 2 252.317 3.820 40 0 biogenic,in-vitro CHABLO Cc1csc(SCc2cn3c(cccc3C)[nH+]2)n1 ZINC000016362508 567872433 /nfs/dbraw/zinc/87/24/33/567872433.db2.gz BLGTZXRTJOFFQU-UHFFFAOYSA-N 1 2 275.402 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccccc1Cl ZINC000019287498 567877262 /nfs/dbraw/zinc/87/72/62/567877262.db2.gz BRIMBVNNBNSQCR-DYVFJYSZSA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccccc1Cl ZINC000019287498 567877263 /nfs/dbraw/zinc/87/72/63/567877263.db2.gz BRIMBVNNBNSQCR-DYVFJYSZSA-N 1 2 299.805 3.700 40 0 CHABLO c1csc([C@@H]2Cc3ccsc3[C@H](c3cccnc3)[NH2+]2)n1 ZINC000019340019 567877663 /nfs/dbraw/zinc/87/76/63/567877663.db2.gz ORANOHQLPZGECB-STQMWFEESA-N 1 2 299.424 3.576 40 0 CHABLO Nc1cc(Nc2ccc(F)cc2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467934 567893182 /nfs/dbraw/zinc/89/31/82/567893182.db2.gz UVURVLCDJXKNQX-UHFFFAOYSA-N 1 2 298.296 3.748 40 0 CHABLO Nc1cc(Nc2ccc(F)cc2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467934 567893183 /nfs/dbraw/zinc/89/31/83/567893183.db2.gz UVURVLCDJXKNQX-UHFFFAOYSA-N 1 2 298.296 3.748 40 0 CHABLO CC[NH+](CC)Cn1nc(-c2ccccc2Cl)oc1=S ZINC000004578131 567932765 /nfs/dbraw/zinc/93/27/65/567932765.db2.gz KKMDNYKUHWXXID-UHFFFAOYSA-N 1 2 297.811 3.825 40 0 CHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1CCCCC1 ZINC000216864501 570346999 /nfs/dbraw/zinc/34/69/99/570346999.db2.gz PBNLSTSNZXMGLA-UHFFFAOYSA-N 1 2 289.423 3.552 40 0 CHABLO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329033320 136377729 /nfs/dbraw/zinc/37/77/29/136377729.db2.gz QTPFFAUOABHHEU-UHFFFAOYSA-N 1 2 296.418 3.638 40 0 CHABLO CC(C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329033320 136377730 /nfs/dbraw/zinc/37/77/30/136377730.db2.gz QTPFFAUOABHHEU-UHFFFAOYSA-N 1 2 296.418 3.638 40 0 CHABLO CNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328955338 202131626 /nfs/dbraw/zinc/13/16/26/202131626.db2.gz ACAJDHJTHOQWJS-UHFFFAOYSA-N 1 2 296.418 3.993 40 0 CHABLO Cc1cc(N2CCCC[C@H]2C)[nH+]c2c(N)cccc12 ZINC000685938298 567106777 /nfs/dbraw/zinc/10/67/77/567106777.db2.gz PRORHONPCARVGN-GFCCVEGCSA-N 1 2 255.365 3.504 40 0 CHABLO Brc1ccc(SC[NH+]2CCCCC2)cc1 ZINC000001688773 567841734 /nfs/dbraw/zinc/84/17/34/567841734.db2.gz DMNBWNVUEPSSQJ-UHFFFAOYSA-N 1 2 286.238 3.985 40 0 CHABLO Nc1cc(Nc2cc(Cl)cc(Cl)c2)[nH+]c(C2CC2)n1 ZINC000049467612 567893115 /nfs/dbraw/zinc/89/31/15/567893115.db2.gz RCZVFVCCEBYSOI-UHFFFAOYSA-N 1 2 295.173 3.987 40 0 CHABLO Cc1cc(NC(C)(C)C)[nH+]cc1C(=O)c1ccccc1 ZINC000072223969 567922596 /nfs/dbraw/zinc/92/25/96/567922596.db2.gz RWBVRCIQEPIHLL-UHFFFAOYSA-N 1 2 268.360 3.831 40 0 CHABLO CC[C@@H](O)c1c[nH+]c(N2CCc3ccccc32)cc1C ZINC000072223946 567922724 /nfs/dbraw/zinc/92/27/24/567922724.db2.gz SBILEGRDEDXRER-MRXNPFEDSA-N 1 2 268.360 3.528 40 0 CHABLO CC(C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000329000713 136377373 /nfs/dbraw/zinc/37/73/73/136377373.db2.gz KCJSBYFGLGBMRO-UHFFFAOYSA-N 1 2 296.418 3.595 40 0 CHABLO CC(C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000329000713 136377374 /nfs/dbraw/zinc/37/73/74/136377374.db2.gz KCJSBYFGLGBMRO-UHFFFAOYSA-N 1 2 296.418 3.595 40 0 CHABLO Cc1ccc([C@@H](C)NC(=S)Nc2cc[nH+]cc2)cc1C ZINC000225708808 189762528 /nfs/dbraw/zinc/76/25/28/189762528.db2.gz SSIYOKLPDHMDGA-CYBMUJFWSA-N 1 2 285.416 3.746 40 0 CHABLO CC(C)(C)[C@H](O)[C@@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000005114294 170066972 /nfs/dbraw/zinc/06/69/72/170066972.db2.gz JRGUJQIBKGUMHR-ZIAGYGMSSA-N 1 2 294.782 3.521 40 0 CHABLO Nc1ccc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)[nH+]c2c1 ZINC000005687391 170129424 /nfs/dbraw/zinc/12/94/24/170129424.db2.gz FNGQCAMKXURKSA-UHFFFAOYSA-N 1 2 293.157 3.701 40 0 CHABLO CCC(=O)Nc1cc([NH+]2[C@@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216865026 262341141 /nfs/dbraw/zinc/34/11/41/262341141.db2.gz DNNMJZUXQMPDGO-STQMWFEESA-N 1 2 289.423 3.693 40 0 CHABLO COC1CCC(C2=[NH+][C@H]3CCCC[C@H]3SC2)CC1 ZINC000031949058 567885615 /nfs/dbraw/zinc/88/56/15/567885615.db2.gz GXBXXGBYRZEHJT-NSOJWWLLSA-N 1 2 267.438 3.691 40 0 CHABLO C(=C(\c1ccccc1)[NH+]1CCOCC1)\c1ccccc1 ZINC000001720313 567842639 /nfs/dbraw/zinc/84/26/39/567842639.db2.gz MHIFCLKKYRCSOC-OBGWFSINSA-N 1 2 265.356 3.517 40 0 CHABLO CC[C@H](O)c1c[nH+]c(N2CCc3ccccc32)cc1C ZINC000072223945 567922819 /nfs/dbraw/zinc/92/28/19/567922819.db2.gz SBILEGRDEDXRER-INIZCTEOSA-N 1 2 268.360 3.528 40 0 CHABLO C[N@@H+](Cc1ccn(C(C)(C)C)c1)Cc1nc2ccccc2[nH]1 ZINC000014001551 570223026 /nfs/dbraw/zinc/22/30/26/570223026.db2.gz VATPDGFGURFWNY-UHFFFAOYSA-N 1 2 296.418 3.751 40 0 CHABLO C[N@H+](Cc1ccn(C(C)(C)C)c1)Cc1nc2ccccc2[nH]1 ZINC000014001551 570223027 /nfs/dbraw/zinc/22/30/27/570223027.db2.gz VATPDGFGURFWNY-UHFFFAOYSA-N 1 2 296.418 3.751 40 0 CHABLO CC(C)Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000244540953 570268895 /nfs/dbraw/zinc/26/88/95/570268895.db2.gz ZYOARGBAWHYIQF-UHFFFAOYSA-N 1 2 268.364 3.538 40 0 CHABLO c1ccc(N2N=N[C@@H]3CCCC[C@@]32[NH+]2CCCCC2)cc1 ZINC000001720267 541304198 /nfs/dbraw/zinc/30/41/98/541304198.db2.gz UETWMCKMAXGEOO-SJORKVTESA-N 1 2 284.407 3.999 40 0 CHABLO Cc1cc2cc(NC(=O)C[C@H](C)n3cc[nH+]c3)ccc2o1 ZINC000019126509 170753311 /nfs/dbraw/zinc/75/33/11/170753311.db2.gz YYLNPZBHNAEKJR-NSHDSACASA-N 1 2 283.331 3.528 40 0 CHABLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938674 567208540 /nfs/dbraw/zinc/20/85/40/567208540.db2.gz ZCINAZUFPUIZTF-RYUDHWBXSA-N 1 2 270.376 3.731 40 0 CHABLO COc1cc2c[nH+]c(-c3ccccc3)c(O)c2cc1OC ZINC000001565429 567837862 /nfs/dbraw/zinc/83/78/62/567837862.db2.gz XKRXGOPDRWHCSD-UHFFFAOYSA-N 1 2 281.311 3.625 40 0 CHABLO CCCN(CCC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000409142444 567934289 /nfs/dbraw/zinc/93/42/89/567934289.db2.gz LKVNNXQBOGJGMG-UHFFFAOYSA-N 1 2 288.395 3.536 40 0 CHABLO Cc1cc(NC2CCCCC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103337 567955773 /nfs/dbraw/zinc/95/57/73/567955773.db2.gz RPGCVZFTTZZABU-UHFFFAOYSA-N 1 2 282.391 3.779 40 0 CHABLO CC(C)Cc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000006693324 170226332 /nfs/dbraw/zinc/22/63/32/170226332.db2.gz MKIPLLIRYCCMPC-UHFFFAOYSA-N 1 2 253.143 3.524 40 0 CHABLO CCCCC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253587 534955076 /nfs/dbraw/zinc/95/50/76/534955076.db2.gz YDYSEVFXKYNFEL-UHFFFAOYSA-N 1 2 289.423 3.634 40 0 CHABLO c1nc2ccccc2n1CCCc1[nH]c2ccccc2[nH+]1 ZINC000057326615 567103879 /nfs/dbraw/zinc/10/38/79/567103879.db2.gz RXEISLBAEJKGMP-UHFFFAOYSA-N 1 2 276.343 3.545 40 0 CHABLO CC(C)[C@@H]1CCCCN1c1ccc2cccc(O)c2[nH+]1 ZINC000685938235 567106801 /nfs/dbraw/zinc/10/68/01/567106801.db2.gz MHFOEZIKRUIWPX-AWEZNQCLSA-N 1 2 270.376 3.955 40 0 CHABLO COc1cc(C)[nH+]c2ccc(C(=O)c3ccccc3)cc21 ZINC000001722568 567842609 /nfs/dbraw/zinc/84/26/09/567842609.db2.gz LZXBUCQELGRORN-UHFFFAOYSA-N 1 2 277.323 3.783 40 0 CHABLO CCc1[nH+]c2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000023528967 567881912 /nfs/dbraw/zinc/88/19/12/567881912.db2.gz VFLPQGSPLDUGBW-UHFFFAOYSA-N 1 2 276.343 3.523 40 0 CHABLO C[C@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055483913 567894272 /nfs/dbraw/zinc/89/42/72/567894272.db2.gz IKSGNXSKFBMJLS-OWQGQXMQSA-N 1 2 265.356 3.668 40 0 CHABLO c1ccc(COc2ccc(C3=[NH+]CCCC3)cn2)cc1 ZINC000072212030 567918446 /nfs/dbraw/zinc/91/84/46/567918446.db2.gz KOZVJUGJPHSACK-UHFFFAOYSA-N 1 2 266.344 3.634 40 0 CHABLO CC[C@H](O)c1c[nH+]c(N2CCCc3ccccc32)cc1C ZINC000072223918 567922736 /nfs/dbraw/zinc/92/27/36/567922736.db2.gz RDQXPWFKFDYPKB-KRWDZBQOSA-N 1 2 282.387 3.918 40 0 CHABLO CC[C@H](O)c1ccc(N2CCc3ccccc32)[nH+]c1C ZINC000072224987 567922751 /nfs/dbraw/zinc/92/27/51/567922751.db2.gz ACGHYFFLYRNEAF-INIZCTEOSA-N 1 2 268.360 3.528 40 0 CHABLO CC[C@@H](CNC(=S)Nc1cc[nH+]cc1)Cc1ccccc1 ZINC000225634056 567954497 /nfs/dbraw/zinc/95/44/97/567954497.db2.gz ACDWRELTIRKVGR-CQSZACIVSA-N 1 2 299.443 3.637 40 0 CHABLO CCC[C@@H]1[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)C[C@@]1(C)O ZINC000000544421 570274369 /nfs/dbraw/zinc/27/43/69/570274369.db2.gz KRWCRLSHEPHBQC-OSRSDYAFSA-N 1 2 289.375 3.816 40 0 CHABLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC000257225866 190015327 /nfs/dbraw/zinc/01/53/27/190015327.db2.gz FIEVYVIGIOSXSF-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC000257225866 190015328 /nfs/dbraw/zinc/01/53/28/190015328.db2.gz FIEVYVIGIOSXSF-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO CC(=O)N1C[N@@H+](C(C)(C)C)Cc2c3c(sc21)CCCC3 ZINC000020192340 171058015 /nfs/dbraw/zinc/05/80/15/171058015.db2.gz JQHUKLZBTQPROS-UHFFFAOYSA-N 1 2 292.448 3.551 40 0 CHABLO CC(=O)N1C[N@H+](C(C)(C)C)Cc2c3c(sc21)CCCC3 ZINC000020192340 171058016 /nfs/dbraw/zinc/05/80/16/171058016.db2.gz JQHUKLZBTQPROS-UHFFFAOYSA-N 1 2 292.448 3.551 40 0 CHABLO Cc1[nH+]cn(-c2ccc(C)cc2Br)c1C ZINC000225793442 333182516 /nfs/dbraw/zinc/18/25/16/333182516.db2.gz OALQYEBPLMZROF-UHFFFAOYSA-N 1 2 265.154 3.560 40 0 CHABLO CC[NH+](CC)c1ccc(C[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000001621071 567839639 /nfs/dbraw/zinc/83/96/39/567839639.db2.gz LQZWCVZVPZHHTD-PXNSSMCTSA-N 1 2 295.426 3.981 40 0 CHABLO c1ccc(N2N=N[C@H]3CCCC[C@]32[NH+]2CCCCC2)cc1 ZINC000001720266 567842396 /nfs/dbraw/zinc/84/23/96/567842396.db2.gz UETWMCKMAXGEOO-DLBZAZTESA-N 1 2 284.407 3.999 40 0 CHABLO C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N@@H+]1C ZINC000004692428 567859183 /nfs/dbraw/zinc/85/91/83/567859183.db2.gz MTMBEFUBDMHEMV-HOTGVXAUSA-N 1 2 293.410 3.654 40 0 CHABLO C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N@H+]1C ZINC000004692428 567859184 /nfs/dbraw/zinc/85/91/84/567859184.db2.gz MTMBEFUBDMHEMV-HOTGVXAUSA-N 1 2 293.410 3.654 40 0 CHABLO C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2)[N@@H+]1C ZINC000033645362 567887150 /nfs/dbraw/zinc/88/71/50/567887150.db2.gz UYHFNMAZLZQLFT-RRQGHBQHSA-N 1 2 253.345 3.777 40 0 CHABLO C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2)[N@H+]1C ZINC000033645362 567887151 /nfs/dbraw/zinc/88/71/51/567887151.db2.gz UYHFNMAZLZQLFT-RRQGHBQHSA-N 1 2 253.345 3.777 40 0 CHABLO Cc1cc(N(CCO)Cc2ccccc2)[nH+]c2ccccc12 ZINC000001708779 567937320 /nfs/dbraw/zinc/93/73/20/567937320.db2.gz PZWZILNWNSHWIY-UHFFFAOYSA-N 1 2 292.382 3.542 40 0 CHABLO C[C@@H]1[C@@H](C)CCC[C@@H]1N1CNc2[nH+]c3ccccc3n2C1 ZINC000004149132 1120675469 /nfs/dbraw/zinc/67/54/69/1120675469.db2.gz KHXBHMXDHPEFQC-GUTXKFCHSA-N 1 2 284.407 3.504 40 0 CHABLO Cc1ccccc1NC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000008571321 567080659 /nfs/dbraw/zinc/08/06/59/567080659.db2.gz KHKZZFCEWWFSRI-UHFFFAOYSA-N 1 2 294.398 3.566 40 0 CHABLO Cc1ccc(-c2n[nH]cc2-c2c[nH+]cn2C(C)C)cc1 ZINC000019697168 567082176 /nfs/dbraw/zinc/08/21/76/567082176.db2.gz GCCUQWZMYGTXSF-UHFFFAOYSA-N 1 2 266.348 3.830 40 0 CHABLO CC(C)(C)c1coc([C@@H]2COCC[N@@H+]2C2CCCCC2)n1 ZINC000096296221 567141342 /nfs/dbraw/zinc/14/13/42/567141342.db2.gz YVMVZMBRGSNFKG-AWEZNQCLSA-N 1 2 292.423 3.678 40 0 biogenic,in-vitro CHABLO CC(C)(C)c1coc([C@@H]2COCC[N@H+]2C2CCCCC2)n1 ZINC000096296221 567141350 /nfs/dbraw/zinc/14/13/50/567141350.db2.gz YVMVZMBRGSNFKG-AWEZNQCLSA-N 1 2 292.423 3.678 40 0 biogenic,in-vitro CHABLO ClC(Cl)(Cl)[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000023583907 567881890 /nfs/dbraw/zinc/88/18/90/567881890.db2.gz DPPAKKMPHBZNQA-NSHDSACASA-N 1 2 289.593 3.725 40 0 in-vitro CHABLO CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212565 567918015 /nfs/dbraw/zinc/91/80/15/567918015.db2.gz YFLCGDGCSSHUTN-ZDUSSCGKSA-N 1 2 291.395 3.585 40 0 CHABLO CCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213072 567918442 /nfs/dbraw/zinc/91/84/42/567918442.db2.gz AUSBLZLIGQUQKD-CYBMUJFWSA-N 1 2 291.395 3.585 40 0 CHABLO CC[C@H](O)c1ccc(N2CCCc3ccccc32)[nH+]c1C ZINC000072224960 567922763 /nfs/dbraw/zinc/92/27/63/567922763.db2.gz CUOYDQNWAKEGLB-KRWDZBQOSA-N 1 2 282.387 3.918 40 0 CHABLO Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cc[nH+]cc2)c1 ZINC000225538917 567954123 /nfs/dbraw/zinc/95/41/23/567954123.db2.gz KSDWPPDVMBDTDZ-CYBMUJFWSA-N 1 2 285.416 3.746 40 0 CHABLO CCC(=O)Nc1cc([NH+]2[C@H](C)CCC[C@H]2C)c(C)cc1N ZINC000216865081 570346763 /nfs/dbraw/zinc/34/67/63/570346763.db2.gz DNNMJZUXQMPDGO-CHWSQXEVSA-N 1 2 289.423 3.693 40 0 CHABLO c1csc(CN2Cc3[nH+]ccn3C[C@H]2c2ccccc2)c1 ZINC000257209580 190012636 /nfs/dbraw/zinc/01/26/36/190012636.db2.gz BQYSERLCBBSRFZ-INIZCTEOSA-N 1 2 295.411 3.702 40 0 CHABLO Cc1cc2[nH+]c(-c3ccc(N)c(C)c3)[nH]c2c(C)c1 ZINC000070462797 566866303 /nfs/dbraw/zinc/86/63/03/566866303.db2.gz MPQFLAKYTVOVAA-UHFFFAOYSA-N 1 2 251.333 3.737 40 0 CHABLO CC[NH+](CC)c1ccc(C[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000001621074 567839711 /nfs/dbraw/zinc/83/97/11/567839711.db2.gz LQZWCVZVPZHHTD-YLJYHZDGSA-N 1 2 295.426 3.981 40 0 CHABLO Cc1[nH+]c[nH]c1CN(Cc1ccco1)Cc1cccc(F)c1 ZINC000012147059 567862175 /nfs/dbraw/zinc/86/21/75/567862175.db2.gz PXBBMBMINVLKGA-UHFFFAOYSA-N 1 2 299.349 3.653 40 0 CHABLO CCSc1nc(Nc2cc(C)cc(C)c2)cc(N)[nH+]1 ZINC000049467475 567893206 /nfs/dbraw/zinc/89/32/06/567893206.db2.gz IGLXETLXCAAQJB-UHFFFAOYSA-N 1 2 274.393 3.531 40 0 CHABLO CCSc1nc(N)cc(Nc2cc(C)cc(C)c2)[nH+]1 ZINC000049467475 567893207 /nfs/dbraw/zinc/89/32/07/567893207.db2.gz IGLXETLXCAAQJB-UHFFFAOYSA-N 1 2 274.393 3.531 40 0 CHABLO Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)cc1 ZINC000049467919 567893216 /nfs/dbraw/zinc/89/32/16/567893216.db2.gz JWKRJDTZIZEZMS-UHFFFAOYSA-N 1 2 294.333 3.917 40 0 CHABLO Cc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1 ZINC000049467919 567893217 /nfs/dbraw/zinc/89/32/17/567893217.db2.gz JWKRJDTZIZEZMS-UHFFFAOYSA-N 1 2 294.333 3.917 40 0 CHABLO CC(=O)N1CCCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213993 567919234 /nfs/dbraw/zinc/91/92/34/567919234.db2.gz LYRCIXDTCMBNRM-INIZCTEOSA-N 1 2 287.407 3.510 40 0 CHABLO CNc1[nH+]cc([C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000072218977 567921507 /nfs/dbraw/zinc/92/15/07/567921507.db2.gz YNRKOYJQASBEOD-ZDUSSCGKSA-N 1 2 291.395 3.504 40 0 CHABLO CC[C@H](O)c1c[nH+]c(N(C)c2ccccc2)c(C)c1 ZINC000072222304 567922413 /nfs/dbraw/zinc/92/24/13/567922413.db2.gz LUFOKLQDZZELNW-HNNXBMFYSA-N 1 2 256.349 3.601 40 0 CHABLO Cc1[nH+]c(N2CCCCC2)ccc1C(=O)c1ccccc1 ZINC000072224543 567922545 /nfs/dbraw/zinc/92/25/45/567922545.db2.gz VJDMIVWAMCSWNC-UHFFFAOYSA-N 1 2 280.371 3.611 40 0 CHABLO CC(C)Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000244414562 570268923 /nfs/dbraw/zinc/26/89/23/570268923.db2.gz YPZBCMMXPAFMPA-UHFFFAOYSA-N 1 2 270.380 3.784 40 0 CHABLO C/[NH+]=c1\oc(-c2ccc(Cl)cc2)nc2ccsc21 ZINC000101647262 570344763 /nfs/dbraw/zinc/34/47/63/570344763.db2.gz VPVGASJUCQZINO-SQFISAMPSA-N 1 2 276.748 3.740 40 0 CHABLO Cc1c(Cl)cccc1NC1=[NH+]CC(C)(C)S1 ZINC000005532665 170109590 /nfs/dbraw/zinc/10/95/90/170109590.db2.gz UQOMXQCVYALOCC-UHFFFAOYSA-N 1 2 254.786 3.942 40 0 CHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(C)cc1 ZINC000226260587 567038476 /nfs/dbraw/zinc/03/84/76/567038476.db2.gz YHUNAGQRCVYYRC-UHFFFAOYSA-N 1 2 297.402 3.676 40 0 CHABLO Nc1ccc2[nH]c(-c3ccccc3Br)[nH+]c2c1 ZINC000000189302 567821663 /nfs/dbraw/zinc/82/16/63/567821663.db2.gz LAQGPMQJUXSNDG-UHFFFAOYSA-N 1 2 288.148 3.575 40 0 CHABLO COc1ccc2c(Cc3ccccc3)c[nH+]cc2c1OC ZINC000000409694 567829788 /nfs/dbraw/zinc/82/97/88/567829788.db2.gz DRDADFBKXGOENN-UHFFFAOYSA-N 1 2 279.339 3.843 40 0 CHABLO C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)C[C@H](C)[N@H+]1C ZINC000001577548 567838335 /nfs/dbraw/zinc/83/83/35/567838335.db2.gz MTMBEFUBDMHEMV-JKSUJKDBSA-N 1 2 293.410 3.654 40 0 CHABLO C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)C[C@H](C)[N@@H+]1C ZINC000001577548 567838336 /nfs/dbraw/zinc/83/83/36/567838336.db2.gz MTMBEFUBDMHEMV-JKSUJKDBSA-N 1 2 293.410 3.654 40 0 CHABLO Oc1cc(-[n+]2ccc3ccccc3c2)c(O)c2ccccc12 ZINC000001672890 567841045 /nfs/dbraw/zinc/84/10/45/567841045.db2.gz ROJXOZVHCBXEEO-UHFFFAOYSA-O 1 2 288.326 3.681 40 0 CHABLO C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)[N@@H+]1C ZINC000031302436 567885076 /nfs/dbraw/zinc/88/50/76/567885076.db2.gz UYHFNMAZLZQLFT-IAOVAPTHSA-N 1 2 253.345 3.777 40 0 CHABLO C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)[N@H+]1C ZINC000031302436 567885077 /nfs/dbraw/zinc/88/50/77/567885077.db2.gz UYHFNMAZLZQLFT-IAOVAPTHSA-N 1 2 253.345 3.777 40 0 CHABLO Cc1cc(SC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072222448 567922198 /nfs/dbraw/zinc/92/21/98/567922198.db2.gz OFHVAJAKKIULNQ-UHFFFAOYSA-N 1 2 250.411 3.881 40 0 CHABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC000257225865 190015628 /nfs/dbraw/zinc/01/56/28/190015628.db2.gz FIEVYVIGIOSXSF-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC000257225865 190015629 /nfs/dbraw/zinc/01/56/29/190015629.db2.gz FIEVYVIGIOSXSF-HNNXBMFYSA-N 1 2 291.757 3.606 40 0 CHABLO O=C1C[N@H+]2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cccc12 ZINC000004963778 170045986 /nfs/dbraw/zinc/04/59/86/170045986.db2.gz HREIQFLOPSXSOD-OEMOTLHWSA-N 1 2 298.773 3.524 40 0 CHABLO O=C1C[N@@H+]2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cccc12 ZINC000004963778 170045987 /nfs/dbraw/zinc/04/59/87/170045987.db2.gz HREIQFLOPSXSOD-OEMOTLHWSA-N 1 2 298.773 3.524 40 0 CHABLO CC(C)(C)[C@@H](O)[C@@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000005114324 170067284 /nfs/dbraw/zinc/06/72/84/170067284.db2.gz JRGUJQIBKGUMHR-UONOGXRCSA-N 1 2 294.782 3.521 40 0 CHABLO Cc1cc(Nc2cccc(O)c2)[nH+]c2ccccc12 ZINC000005587772 170116766 /nfs/dbraw/zinc/11/67/66/170116766.db2.gz IPUJBIHNJUZCOT-UHFFFAOYSA-N 1 2 250.301 3.992 40 0 CHABLO Cc1cccc(OCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000076555345 177037489 /nfs/dbraw/zinc/03/74/89/177037489.db2.gz DOBTXHSWBMHATC-UHFFFAOYSA-N 1 2 266.344 3.998 40 0 CHABLO S=c1oc(-c2ccccc2)nn1C[NH+]1CCCCCC1 ZINC000059498001 262389582 /nfs/dbraw/zinc/38/95/82/262389582.db2.gz UYRACAJHTAZHBY-UHFFFAOYSA-N 1 2 289.404 3.706 40 0 CHABLO C[C@@H]1CC[C@H](C)N1c1ccc([NH+]2CCCCC2)c(N)c1 ZINC000017957899 567080562 /nfs/dbraw/zinc/08/05/62/567080562.db2.gz ZPGCBYCQHPDAGN-OKILXGFUSA-N 1 2 273.424 3.636 40 0 CHABLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938668 567208612 /nfs/dbraw/zinc/20/86/12/567208612.db2.gz YURCQHFNAPJBCI-TXEJJXNPSA-N 1 2 269.392 3.608 40 0 CHABLO Cc1cccn2cc(COc3ccc(Cl)cc3)[nH+]c12 ZINC000000276118 567823591 /nfs/dbraw/zinc/82/35/91/567823591.db2.gz GSYCRMCNXWWAFT-UHFFFAOYSA-N 1 2 272.735 3.875 40 0 CHABLO C[C@@]1(c2ccccc2)OC(=[NH2+])Nc2ccc(Cl)cc21 ZINC000035088655 567888986 /nfs/dbraw/zinc/88/89/86/567888986.db2.gz PGSDPKVMKMOURZ-HNNXBMFYSA-N 1 2 272.735 3.980 40 0 in-vitro CHABLO CC(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213992 567919284 /nfs/dbraw/zinc/91/92/84/567919284.db2.gz LYRCIXDTCMBNRM-MRXNPFEDSA-N 1 2 287.407 3.510 40 0 CHABLO CC[C@H](O)c1ccc(N(C)c2ccccc2)[nH+]c1C ZINC000072224385 567922539 /nfs/dbraw/zinc/92/25/39/567922539.db2.gz PWCCHHFXKONHNR-HNNXBMFYSA-N 1 2 256.349 3.601 40 0 CHABLO Cc1ccc([C@H](C)NC(=S)Nc2cc[nH+]cc2)cc1C ZINC000225708828 567954610 /nfs/dbraw/zinc/95/46/10/567954610.db2.gz SSIYOKLPDHMDGA-ZDUSSCGKSA-N 1 2 285.416 3.746 40 0 CHABLO CC(C)(C)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329042605 202165086 /nfs/dbraw/zinc/16/50/86/202165086.db2.gz SOXPRTGCXANAHI-UHFFFAOYSA-N 1 2 282.391 3.730 40 0 CHABLO Cc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1Cl ZINC000022124659 171353984 /nfs/dbraw/zinc/35/39/84/171353984.db2.gz CKTWZMUQARRJRM-UHFFFAOYSA-N 1 2 257.724 3.774 40 0 CHABLO Nc1ccc([NH2+]C2CCCCC2)c(Br)c1 ZINC000043596541 175076721 /nfs/dbraw/zinc/07/67/21/175076721.db2.gz KYXKJNHURWGYEO-UHFFFAOYSA-N 1 2 269.186 3.776 40 0 CHABLO Cc1cc2[nH]c(-c3ccc(N)c(C)c3)[nH+]c2cc1C ZINC000045954332 175389058 /nfs/dbraw/zinc/38/90/58/175389058.db2.gz LXWZPGSXJWSEMQ-UHFFFAOYSA-N 1 2 251.333 3.737 40 0 CHABLO c1ccc(C[N@@H+]2CCOc3nc4ccccc4cc3C2)cc1 ZINC000072392265 176393745 /nfs/dbraw/zinc/39/37/45/176393745.db2.gz JEYMBXDQKAJUKZ-UHFFFAOYSA-N 1 2 290.366 3.629 40 0 CHABLO c1ccc(C[N@H+]2CCOc3nc4ccccc4cc3C2)cc1 ZINC000072392265 176393747 /nfs/dbraw/zinc/39/37/47/176393747.db2.gz JEYMBXDQKAJUKZ-UHFFFAOYSA-N 1 2 290.366 3.629 40 0 CHABLO CC(C)c1cc(N2CCCC2)[nH+]c2c(O)cccc12 ZINC000685938509 567106051 /nfs/dbraw/zinc/10/60/51/567106051.db2.gz WFIXEHSFNFNDDV-UHFFFAOYSA-N 1 2 256.349 3.664 40 0 CHABLO CCC(=O)c1ccc(N2CCc3ccccc3C2)[nH+]c1C ZINC000072224929 567922787 /nfs/dbraw/zinc/92/27/87/567922787.db2.gz SJVLJXLQXFWFAB-UHFFFAOYSA-N 1 2 280.371 3.545 40 0 CHABLO Cc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1 ZINC000409205228 567934653 /nfs/dbraw/zinc/93/46/53/567934653.db2.gz GQQZYTCAFYWWKE-UHFFFAOYSA-N 1 2 294.398 3.566 40 0 CHABLO C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000013511521 567941635 /nfs/dbraw/zinc/94/16/35/567941635.db2.gz KRIROHZWSALYAG-DTDBQYNISA-N 1 2 279.383 3.914 40 0 CHABLO CC(C)n1cccc1C[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013568967 570284730 /nfs/dbraw/zinc/28/47/30/570284730.db2.gz TYVWUNXEEAQRNZ-UHFFFAOYSA-N 1 2 282.391 3.577 40 0 CHABLO CC(C)n1cccc1C[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013568967 570284731 /nfs/dbraw/zinc/28/47/31/570284731.db2.gz TYVWUNXEEAQRNZ-UHFFFAOYSA-N 1 2 282.391 3.577 40 0 CHABLO CCCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253564 534955616 /nfs/dbraw/zinc/95/56/16/534955616.db2.gz BEJCPIWOVSKPDN-ZDUSSCGKSA-N 1 2 289.423 3.776 40 0 CHABLO CNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000329040790 202165853 /nfs/dbraw/zinc/16/58/53/202165853.db2.gz SFRFHIZHNVPLTF-UHFFFAOYSA-N 1 2 296.418 3.859 40 0 CHABLO c1cn2c([nH+]1)CN(Cc1ccsc1)[C@@H](c1ccccc1)C2 ZINC000257336684 190036598 /nfs/dbraw/zinc/03/65/98/190036598.db2.gz YPOMDYVZMPKMPR-MRXNPFEDSA-N 1 2 295.411 3.702 40 0 CHABLO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@@H](C)[N@@H+]1C ZINC000072162125 176329814 /nfs/dbraw/zinc/32/98/14/176329814.db2.gz MTMBEFUBDMHEMV-HZPDHXFCSA-N 1 2 293.410 3.654 40 0 CHABLO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@@H](C)[N@H+]1C ZINC000072162125 176329816 /nfs/dbraw/zinc/32/98/16/176329816.db2.gz MTMBEFUBDMHEMV-HZPDHXFCSA-N 1 2 293.410 3.654 40 0 CHABLO Cc1[nH+]c2ccccc2n1Cc1noc(-c2cccs2)n1 ZINC000076556466 177037514 /nfs/dbraw/zinc/03/75/14/177037514.db2.gz KQWHJSFRXYUMBU-UHFFFAOYSA-N 1 2 296.355 3.505 40 0 CHABLO CCCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253564 534955608 /nfs/dbraw/zinc/95/56/08/534955608.db2.gz BEJCPIWOVSKPDN-ZDUSSCGKSA-N 1 2 289.423 3.776 40 0 CHABLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938669 567208497 /nfs/dbraw/zinc/20/84/97/567208497.db2.gz YURCQHFNAPJBCI-VXGBXAGGSA-N 1 2 269.392 3.608 40 0 CHABLO Cc1cc2cc(NC(=O)C[C@@H](C)n3cc[nH+]c3)ccc2o1 ZINC000019126512 567877583 /nfs/dbraw/zinc/87/75/83/567877583.db2.gz YYLNPZBHNAEKJR-LLVKDONJSA-N 1 2 283.331 3.528 40 0 CHABLO Cc1[nH+]c2cc(NC(=O)Nc3ccccc3)ccc2n1C ZINC000074978200 567890346 /nfs/dbraw/zinc/89/03/46/567890346.db2.gz FBMIFACPPKBWSA-UHFFFAOYSA-N 1 2 280.331 3.526 40 0 CHABLO COc1cc2c[nH+]ccc2cc1OCc1ccccc1 ZINC000001756821 567937331 /nfs/dbraw/zinc/93/73/31/567937331.db2.gz KDPCECJIDYQQEF-UHFFFAOYSA-N 1 2 265.312 3.822 40 0 CHABLO CC1=Nc2ccccc2NC(=[NH2+])C1c1cccs1 ZINC000015423876 567943962 /nfs/dbraw/zinc/94/39/62/567943962.db2.gz ZBQOITPWQSXYJC-UHFFFAOYSA-N 1 2 255.346 3.594 40 0 CHABLO Cc1cc(N(C(C)C)C(C)C)[nH+]c2c(N)cccc12 ZINC000685937973 570389411 /nfs/dbraw/zinc/38/94/11/570389411.db2.gz FBMFKJACRSPNCY-UHFFFAOYSA-N 1 2 257.381 3.749 40 0 CHABLO Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257315656 190032774 /nfs/dbraw/zinc/03/27/74/190032774.db2.gz VCHIGCDOELLXRL-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257315656 190032775 /nfs/dbraw/zinc/03/27/75/190032775.db2.gz VCHIGCDOELLXRL-OAHLLOKOSA-N 1 2 291.757 3.606 40 0 CHABLO Brc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000037387786 173171392 /nfs/dbraw/zinc/17/13/92/173171392.db2.gz RCFICICMGDCINS-UHFFFAOYSA-N 1 2 287.160 3.916 40 0 CHABLO COc1cc(N)cc(Br)c1[NH2+]C1CCCCC1 ZINC000045958882 175389440 /nfs/dbraw/zinc/38/94/40/175389440.db2.gz YAIYBXRKVQFPOI-UHFFFAOYSA-N 1 2 299.212 3.785 40 0 CHABLO Cc1cc[nH+]c(Nc2ccccc2Br)c1 ZINC000228971275 525703166 /nfs/dbraw/zinc/70/31/66/525703166.db2.gz OLXLNWOGIWIGAU-UHFFFAOYSA-N 1 2 263.138 3.896 40 0 CHABLO Cc1[nH+]c2ccccc2n1CNc1ccccc1C ZINC000003152067 567162916 /nfs/dbraw/zinc/16/29/16/567162916.db2.gz ILPOUEUBGZWVKZ-UHFFFAOYSA-N 1 2 251.333 3.723 40 0 CHABLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938676 567208433 /nfs/dbraw/zinc/20/84/33/567208433.db2.gz ZCINAZUFPUIZTF-VXGBXAGGSA-N 1 2 270.376 3.731 40 0 CHABLO Cc1[nH+]cc([C@H](O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000003954490 567854580 /nfs/dbraw/zinc/85/45/80/567854580.db2.gz LDUBFHKGOKKYNV-LJQANCHMSA-N 1 2 292.382 3.630 40 0 in-vitro CHABLO COc1ccc(-c2[nH+]ccn2-c2ccccc2)cc1 ZINC000034547127 567888185 /nfs/dbraw/zinc/88/81/85/567888185.db2.gz KZWAUOITTGTFQI-UHFFFAOYSA-N 1 2 250.301 3.548 40 0 CHABLO Nc1cc(Nc2ccccc2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467911 567893267 /nfs/dbraw/zinc/89/32/67/567893267.db2.gz WCLXXUMOLQEHOJ-UHFFFAOYSA-N 1 2 280.306 3.609 40 0 CHABLO Nc1cc(Nc2ccccc2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467911 567893268 /nfs/dbraw/zinc/89/32/68/567893268.db2.gz WCLXXUMOLQEHOJ-UHFFFAOYSA-N 1 2 280.306 3.609 40 0 CHABLO Nc1cc(C(F)(F)F)cn2cc(-c3ccccc3)[nH+]c12 ZINC000096510233 567897390 /nfs/dbraw/zinc/89/73/90/567897390.db2.gz NEMCSYBDQCPOTL-UHFFFAOYSA-N 1 2 277.249 3.602 40 0 CHABLO CCC(=O)c1c[nH+]c(N(C)Cc2ccccc2)cc1C ZINC000072223393 567922141 /nfs/dbraw/zinc/92/21/41/567922141.db2.gz KJEADNJROYXOEH-UHFFFAOYSA-N 1 2 268.360 3.619 40 0 CHABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCCCCC1 ZINC000072222488 567922269 /nfs/dbraw/zinc/92/22/69/567922269.db2.gz QVQWBXYKNHNBJK-GOSISDBHSA-N 1 2 296.414 3.852 40 0 CHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000329039102 136377869 /nfs/dbraw/zinc/37/78/69/136377869.db2.gz RVCMVGGYSYULHF-UONOGXRCSA-N 1 2 296.418 3.638 40 0 CHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000329039102 136377870 /nfs/dbraw/zinc/37/78/70/136377870.db2.gz RVCMVGGYSYULHF-UONOGXRCSA-N 1 2 296.418 3.638 40 0 CHABLO CC(C)(C)[C@H](O)[C@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000005114292 170067154 /nfs/dbraw/zinc/06/71/54/170067154.db2.gz JRGUJQIBKGUMHR-KGLIPLIRSA-N 1 2 294.782 3.521 40 0 CHABLO Cc1cc(C2=CSC3=[NH+]CCCCN23)ccc1F ZINC000005793064 170140579 /nfs/dbraw/zinc/14/05/79/170140579.db2.gz YFFPKTAEVLUATA-UHFFFAOYSA-N 1 2 262.353 3.631 40 0 CHABLO CC[C@H](C)n1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040407680 174254177 /nfs/dbraw/zinc/25/41/77/174254177.db2.gz SBLBSZBHQBIJHJ-JTQLQIEISA-N 1 2 266.772 3.586 40 0 CHABLO CCSc1nc(Nc2ccc(C)c(C)c2)cc(N)[nH+]1 ZINC000049467470 567893168 /nfs/dbraw/zinc/89/31/68/567893168.db2.gz UTKRIBZQXBMSTO-UHFFFAOYSA-N 1 2 274.393 3.531 40 0 CHABLO Cc1cc2[nH+]c(-c3ccc(C)c(N)c3)[nH]c2c(C)c1 ZINC000070462792 566865436 /nfs/dbraw/zinc/86/54/36/566865436.db2.gz GSTUHJIJXCBGOJ-UHFFFAOYSA-N 1 2 251.333 3.737 40 0 CHABLO CC(C)c1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000004243971 566985112 /nfs/dbraw/zinc/98/51/12/566985112.db2.gz DOHZEZKIFOIFML-UHFFFAOYSA-N 1 2 251.333 3.936 40 0 CHABLO C[NH2+]c1ccc(N2CCC(C)CC2)c(Br)c1 ZINC000226275597 567040450 /nfs/dbraw/zinc/04/04/50/567040450.db2.gz ZFEMBWFLZMNQAX-UHFFFAOYSA-N 1 2 283.213 3.727 40 0 CHABLO CCSc1nc(N)cc(Nc2ccc(C)c(C)c2)[nH+]1 ZINC000049467470 567893167 /nfs/dbraw/zinc/89/31/67/567893167.db2.gz UTKRIBZQXBMSTO-UHFFFAOYSA-N 1 2 274.393 3.531 40 0 CHABLO Cc1cc(OC(=O)c2ccccc2)c2ccccc2[nH+]1 ZINC000098180483 567915632 /nfs/dbraw/zinc/91/56/32/567915632.db2.gz HWJPNWYLLYAXLA-UHFFFAOYSA-N 1 2 263.296 3.762 40 0 CHABLO CC[C@@H](O)c1ccc(N2CCCc3ccccc32)[nH+]c1C ZINC000072224961 567922797 /nfs/dbraw/zinc/92/27/97/567922797.db2.gz CUOYDQNWAKEGLB-QGZVFWFLSA-N 1 2 282.387 3.918 40 0 CHABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1[C@@H](C)O ZINC000072223916 567922804 /nfs/dbraw/zinc/92/28/04/567922804.db2.gz AQHLSWMDFBMRPO-CYBMUJFWSA-N 1 2 268.360 3.528 40 0 CHABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1C ZINC000225759343 529680777 /nfs/dbraw/zinc/68/07/77/529680777.db2.gz RLDFLSLKXIQXNI-OAHLLOKOSA-N 1 2 285.416 3.828 40 0 CHABLO CCn1nccc1-c1cc(C2CC[NH+](C(C)C)CC2)ccn1 ZINC000257325113 190034001 /nfs/dbraw/zinc/03/40/01/190034001.db2.gz WRNBHEZGPCAHFY-UHFFFAOYSA-N 1 2 298.434 3.553 40 0 CHABLO CC[C@@H](O)c1ccc(N2CCc3ccccc32)[nH+]c1C ZINC000072224988 256704088 /nfs/dbraw/zinc/70/40/88/256704088.db2.gz ACGHYFFLYRNEAF-MRXNPFEDSA-N 1 2 268.360 3.528 40 0 CHABLO O=C(C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000001666049 567840779 /nfs/dbraw/zinc/84/07/79/567840779.db2.gz SALRBZLLFNJXQK-UHFFFAOYSA-N 1 2 272.175 3.662 40 0 CHABLO C[C@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013119960 567864657 /nfs/dbraw/zinc/86/46/57/567864657.db2.gz IKSGNXSKFBMJLS-XCRHUMRWSA-N 1 2 265.356 3.668 40 0 CHABLO CC(C)(Cc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000000814391 567876776 /nfs/dbraw/zinc/87/67/76/567876776.db2.gz UGHJYSBJDHOPCF-UHFFFAOYSA-N 1 2 290.370 3.960 40 0 CHABLO CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212505 567917980 /nfs/dbraw/zinc/91/79/80/567917980.db2.gz YUMGXJVCUVTBKO-ZDUSSCGKSA-N 1 2 291.395 3.585 40 0 CHABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1NC(C)(C)C ZINC000072222923 567922403 /nfs/dbraw/zinc/92/24/03/567922403.db2.gz ZDRFKMKDEPKSKT-UHFFFAOYSA-N 1 2 293.411 3.625 40 0 CHABLO Brc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000001509240 567931592 /nfs/dbraw/zinc/93/15/92/567931592.db2.gz FIQMDMXGISAFOS-UHFFFAOYSA-N 1 2 277.165 3.649 40 0 CHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1CCCC[C@H]1C ZINC000216864631 570346895 /nfs/dbraw/zinc/34/68/95/570346895.db2.gz HEWDHURRZMPFJD-CYBMUJFWSA-N 1 2 289.423 3.551 40 0 CHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1CCCC[C@H]1C ZINC000216864631 570346898 /nfs/dbraw/zinc/34/68/98/570346898.db2.gz HEWDHURRZMPFJD-CYBMUJFWSA-N 1 2 289.423 3.551 40 0 CHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1F ZINC000328997319 202144773 /nfs/dbraw/zinc/14/47/73/202144773.db2.gz JOUUIWSJCDGCES-UHFFFAOYSA-N 1 2 298.365 3.541 40 0 CHABLO CC[N@@H+]1C=C/C(=N\c2ccc(N(C)C)cc2)c2ccccc21 ZINC000004773394 170014618 /nfs/dbraw/zinc/01/46/18/170014618.db2.gz RCSVDCBTVSJBPQ-CZIZESTLSA-N 1 2 291.398 3.960 40 0 CHABLO CC[N@H+]1C=C/C(=N\c2ccc(N(C)C)cc2)c2ccccc21 ZINC000004773394 170014621 /nfs/dbraw/zinc/01/46/21/170014621.db2.gz RCSVDCBTVSJBPQ-CZIZESTLSA-N 1 2 291.398 3.960 40 0 CHABLO COc1cc2c[nH+]cc(Cc3ccccc3)c2cc1O ZINC000005639647 170123031 /nfs/dbraw/zinc/12/30/31/170123031.db2.gz PFRXFVVHPZSQDB-UHFFFAOYSA-N 1 2 265.312 3.540 40 0 CHABLO CCc1c(C)n(-c2ccc([NH+](C)C)cc2)c(C)c1C=O ZINC000022122291 171353887 /nfs/dbraw/zinc/35/38/87/171353887.db2.gz GFJAEFWTACGLCI-UHFFFAOYSA-N 1 2 270.376 3.535 40 0 CHABLO CCCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253572 534955930 /nfs/dbraw/zinc/95/59/30/534955930.db2.gz BEJCPIWOVSKPDN-CYBMUJFWSA-N 1 2 289.423 3.776 40 0 CHABLO CCCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253572 534955933 /nfs/dbraw/zinc/95/59/33/534955933.db2.gz BEJCPIWOVSKPDN-CYBMUJFWSA-N 1 2 289.423 3.776 40 0 CHABLO Nc1ccc2[nH]c(-c3cccc(Br)c3)[nH+]c2c1 ZINC000019484508 567877863 /nfs/dbraw/zinc/87/78/63/567877863.db2.gz HMTPLEHTPIUWGF-UHFFFAOYSA-N 1 2 288.148 3.575 40 0 CHABLO CN(Cc1ccccc1)c1ccc2cccc(O)c2[nH+]1 ZINC000041669456 566964455 /nfs/dbraw/zinc/96/44/55/566964455.db2.gz KGVZDBPKKNJLQW-UHFFFAOYSA-N 1 2 264.328 3.577 40 0 CHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(C)c1 ZINC000226260642 567038766 /nfs/dbraw/zinc/03/87/66/567038766.db2.gz PYRVHGYKAZDONA-UHFFFAOYSA-N 1 2 297.402 3.676 40 0 CHABLO CC[C@@H](c1ccc(F)cc1)n1c[nH+]cc1-c1cn(C)nc1C ZINC000019719513 567878467 /nfs/dbraw/zinc/87/84/67/567878467.db2.gz KYCZOQFKJUIUGZ-INIZCTEOSA-N 1 2 298.365 3.731 40 0 CHABLO O[C@H](c1ccccc1)[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000031672791 567885062 /nfs/dbraw/zinc/88/50/62/567885062.db2.gz CMOPYVABRRLFCM-RTBURBONSA-N 1 2 290.366 3.968 40 0 CHABLO CCSc1nc(Nc2cccc(Cl)c2)cc(N)[nH+]1 ZINC000049467487 567893047 /nfs/dbraw/zinc/89/30/47/567893047.db2.gz PZONJMARKQQWCA-UHFFFAOYSA-N 1 2 280.784 3.568 40 0 CHABLO CCSc1nc(N)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000049467487 567893048 /nfs/dbraw/zinc/89/30/48/567893048.db2.gz PZONJMARKQQWCA-UHFFFAOYSA-N 1 2 280.784 3.568 40 0 CHABLO Clc1cccc2c1[C@@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC000064219028 567898101 /nfs/dbraw/zinc/89/81/01/567898101.db2.gz GLSMGFUBVXKHNJ-INIZCTEOSA-N 1 2 269.775 3.996 40 0 CHABLO Clc1cccc2c1[C@@H]1Cc3ccccc3C[N@H+]1CC2 ZINC000064219028 567898102 /nfs/dbraw/zinc/89/81/02/567898102.db2.gz GLSMGFUBVXKHNJ-INIZCTEOSA-N 1 2 269.775 3.996 40 0 CHABLO CCC(=O)c1ccc(NCc2ccccc2)[nH+]c1C ZINC000072224408 567922743 /nfs/dbraw/zinc/92/27/43/567922743.db2.gz NLALQIHDDUTHMN-UHFFFAOYSA-N 1 2 254.333 3.595 40 0 CHABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(C)cc1 ZINC000225486557 567953684 /nfs/dbraw/zinc/95/36/84/567953684.db2.gz ARSFYSRUGZGIFA-HNNXBMFYSA-N 1 2 285.416 3.828 40 0 CHABLO CC(C)c1ccc2c(c1)c1c3n2CC[NH+]=C3CCC1 ZINC000000131471 570268858 /nfs/dbraw/zinc/26/88/58/570268858.db2.gz MEGKREGQCPUVEL-UHFFFAOYSA-N 1 2 252.361 3.904 40 0 CHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1 ZINC000328998559 202147447 /nfs/dbraw/zinc/14/74/47/202147447.db2.gz JSUYCUKKVRGMKH-UHFFFAOYSA-N 1 2 282.391 3.648 40 0 CHABLO O[C@H](c1ccccc1)[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000031672785 171643030 /nfs/dbraw/zinc/64/30/30/171643030.db2.gz CMOPYVABRRLFCM-RBUKOAKNSA-N 1 2 290.366 3.968 40 0 CHABLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938667 567208614 /nfs/dbraw/zinc/20/86/14/567208614.db2.gz YURCQHFNAPJBCI-RYUDHWBXSA-N 1 2 269.392 3.608 40 0 CHABLO CC(Cc1nc2ccccc2[nH]1)Cc1[nH]c2ccccc2[nH+]1 ZINC000013215333 567865303 /nfs/dbraw/zinc/86/53/03/567865303.db2.gz IBWUQGUKVQLDPY-UHFFFAOYSA-N 1 2 290.370 3.861 40 0 CHABLO O[C@@H](c1ccccc1)[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000031672794 567885286 /nfs/dbraw/zinc/88/52/86/567885286.db2.gz CMOPYVABRRLFCM-MOPGFXCFSA-N 1 2 290.366 3.968 40 0 CHABLO Cc1cc(N2CCCCC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223496 567922501 /nfs/dbraw/zinc/92/25/01/567922501.db2.gz ZLLSQSYTCOQXSE-UHFFFAOYSA-N 1 2 280.371 3.611 40 0 CHABLO CC[C@@H](O)c1c[nH+]c(N2CCCc3ccccc32)cc1C ZINC000072223919 567922813 /nfs/dbraw/zinc/92/28/13/567922813.db2.gz RDQXPWFKFDYPKB-QGZVFWFLSA-N 1 2 282.387 3.918 40 0 CHABLO CC(C)c1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000409207746 567934641 /nfs/dbraw/zinc/93/46/41/567934641.db2.gz YYVXRSHUPCDOHY-UHFFFAOYSA-N 1 2 294.398 3.764 40 0 CHABLO Cc1ccc(C)c([C@H](C)NC(=S)Nc2cc[nH+]cc2)c1 ZINC000225538950 567953906 /nfs/dbraw/zinc/95/39/06/567953906.db2.gz KSDWPPDVMBDTDZ-ZDUSSCGKSA-N 1 2 285.416 3.746 40 0 CHABLO Cc1cc(NCc2ccccc2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103240 567955768 /nfs/dbraw/zinc/95/57/68/567955768.db2.gz BGQMCESMUWPCGZ-UHFFFAOYSA-N 1 2 290.370 3.646 40 0 CHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1CCCC[C@@H]1C ZINC000216864602 570346951 /nfs/dbraw/zinc/34/69/51/570346951.db2.gz HEWDHURRZMPFJD-ZDUSSCGKSA-N 1 2 289.423 3.551 40 0 CHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1CCCC[C@@H]1C ZINC000216864602 570346955 /nfs/dbraw/zinc/34/69/55/570346955.db2.gz HEWDHURRZMPFJD-ZDUSSCGKSA-N 1 2 289.423 3.551 40 0 CHABLO c1ccc2sc(SC[NH+]3CCCCC3)nc2c1 ZINC000001702489 169745316 /nfs/dbraw/zinc/74/53/16/169745316.db2.gz AOTBSODRZKFNIU-UHFFFAOYSA-N 1 2 264.419 3.832 40 0 CHABLO O=C1CC[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000021987422 171345825 /nfs/dbraw/zinc/34/58/25/171345825.db2.gz SXBALVCQZRIWQR-GOSISDBHSA-N 1 2 265.356 3.593 40 0 CHABLO O=C1CC[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000021987422 171345827 /nfs/dbraw/zinc/34/58/27/171345827.db2.gz SXBALVCQZRIWQR-GOSISDBHSA-N 1 2 265.356 3.593 40 0 CHABLO CC[C@@H](C)n1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040407677 174254069 /nfs/dbraw/zinc/25/40/69/174254069.db2.gz SBLBSZBHQBIJHJ-SNVBAGLBSA-N 1 2 266.772 3.586 40 0 CHABLO Cc1cccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)c1 ZINC000409197321 261147615 /nfs/dbraw/zinc/14/76/15/261147615.db2.gz BHDZMKGVTMOGBG-UHFFFAOYSA-N 1 2 294.398 3.566 40 0 CHABLO COc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1 ZINC000070462781 566865527 /nfs/dbraw/zinc/86/55/27/566865527.db2.gz HQMVDSSUTNMJOB-UHFFFAOYSA-N 1 2 252.317 3.855 40 0 CHABLO c1ccc(N2N=N[C@H]3CCCC[C@@]32[NH+]2CCCCC2)cc1 ZINC000001720268 567842567 /nfs/dbraw/zinc/84/25/67/567842567.db2.gz UETWMCKMAXGEOO-IRXDYDNUSA-N 1 2 284.407 3.999 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc(Cl)cc1 ZINC000019287486 567877159 /nfs/dbraw/zinc/87/71/59/567877159.db2.gz YSTXAYMWXJLSHB-PBHICJAKSA-N 1 2 299.805 3.700 40 0 CHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019287486 567877161 /nfs/dbraw/zinc/87/71/61/567877161.db2.gz YSTXAYMWXJLSHB-PBHICJAKSA-N 1 2 299.805 3.700 40 0 CHABLO c1ccc(Sc2ccc(C3=[NH+]CCC3)cn2)cc1 ZINC000072217582 567920377 /nfs/dbraw/zinc/92/03/77/567920377.db2.gz URXCBILTZUKGLH-UHFFFAOYSA-N 1 2 254.358 3.816 40 0 CHABLO Cc1ccc([C@H](C)NC(=S)Nc2cc[nH+]cc2)c(C)c1 ZINC000225479337 567953753 /nfs/dbraw/zinc/95/37/53/567953753.db2.gz RKZSIBGFUJJZEW-ZDUSSCGKSA-N 1 2 285.416 3.746 40 0 CHABLO