smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@@H]2c3cccc4c3c(cn4CO)C[C@@H]2[N@H+](C)C1 ZINC000006266283 371889172 /nfs/dbraw/zinc/88/91/72/371889172.db2.gz ZRSYFDQOVJPDJB-XFJVYGCCSA-N 1 0 270.376 2.571 40 10 CFCBRO Cc1cc(N2CCCC2)c(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000012147831 371947638 /nfs/dbraw/zinc/94/76/38/371947638.db2.gz JAWARLOOLMLEGO-AWEZNQCLSA-N 1 0 292.398 2.549 40 10 CFCBRO Nc1cn(-c2c3ccccc3[nH+]c3ccccc32)nn1 ZINC000218797654 382790720 /nfs/dbraw/zinc/79/07/20/382790720.db2.gz FMVHDSGBQOTYQT-UHFFFAOYSA-N 1 0 261.288 2.551 40 10 CFCBRO Cc1ccsc1[C@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000003703031 393455552 /nfs/dbraw/zinc/45/55/52/393455552.db2.gz ITARWYYVLNICRL-ZDUSSCGKSA-N 1 0 261.346 2.703 40 10 CFCBRO Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000004724964 275060667 /nfs/dbraw/zinc/06/06/67/275060667.db2.gz GGGSEBXTKMTNBW-CQSZACIVSA-N 1 0 255.317 2.527 40 10 CFCBRO C[NH2+][C@H](Cc1ccccc1)c1cccc(OC)c1O ZINC000003953941 371825775 /nfs/dbraw/zinc/82/57/75/371825775.db2.gz MNKSJKLEOTWLDU-CQSZACIVSA-N 1 0 257.333 2.904 40 10 in-vitro CFCBRO Oc1cc2c(cc1O)[C@@H]1c3ccccc3C[NH2+][C@H]1CC2 ZINC000026746094 171498802 /nfs/dbraw/zinc/49/88/02/171498802.db2.gz BGOQGUHWXBGXJW-YOEHRIQHSA-N 1 0 267.328 2.648 40 10 in-vivo CFCBRO Nc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000096526692 347702007 /nfs/dbraw/zinc/70/20/07/347702007.db2.gz TZQRDGBYUMWAIM-XJKSGUPXSA-N 1 0 260.381 2.912 40 10 CFCBRO Cc1ccc(O)c(C[N@H+](CCO)Cc2cccs2)c1 ZINC000013997534 372057050 /nfs/dbraw/zinc/05/70/50/372057050.db2.gz SLZZVCMSQYHBKW-UHFFFAOYSA-N 1 0 277.389 2.757 40 10 CFCBRO CCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000256052695 190004228 /nfs/dbraw/zinc/00/42/28/190004228.db2.gz OHYZJMPOKYCOCK-UHFFFAOYSA-N 1 0 286.423 2.957 40 10 CFCBRO COCC[NH2+]Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000113704480 376028065 /nfs/dbraw/zinc/02/80/65/376028065.db2.gz NHUHDRRNXHBKEE-UHFFFAOYSA-N 1 0 288.391 2.839 40 10 CFCBRO CC(=O)Nc1cc(C[NH+]2CCCCC2)c(O)c2ncccc12 ZINC000001717584 393452601 /nfs/dbraw/zinc/45/26/01/393452601.db2.gz KCCMIWWVDARKLM-UHFFFAOYSA-N 1 0 299.374 2.885 40 10 in-vitro CFCBRO CNC(=O)c1ccc(/C=C\c2c[nH]c3ccccc23)[n+](C)c1 ZINC000004994224 170051625 /nfs/dbraw/zinc/05/16/25/170051625.db2.gz XFWXVWDNSZVBPD-UHFFFAOYSA-O 1 0 292.362 2.522 40 10 CFCBRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000036369687 372574651 /nfs/dbraw/zinc/57/46/51/372574651.db2.gz TYROVGXVOBWINF-KSSFIOAISA-N 1 0 284.403 2.964 40 10 CFCBRO CN(C)c1ccc([C@@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000005849334 260020649 /nfs/dbraw/zinc/02/06/49/260020649.db2.gz VFUWFRYDGAVPAO-GOSISDBHSA-N 1 0 284.403 2.618 40 10 CFCBRO C[C@H](c1cc(C(C)(C)C)ccc1O)N1CC[NH2+]CC1 ZINC000022014387 299620448 /nfs/dbraw/zinc/62/04/48/299620448.db2.gz OGDLMQYRKKMBJF-GFCCVEGCSA-N 1 0 262.397 2.656 40 10 CFCBRO C[NH2+]C[C@H](OCCc1ccccc1)c1ccc(O)c(O)c1 ZINC000006378915 170196389 /nfs/dbraw/zinc/19/63/89/170196389.db2.gz LBPQZSRAMFQEHA-KRWDZBQOSA-N 1 0 287.359 2.618 40 10 CFCBRO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000006500042 170207721 /nfs/dbraw/zinc/20/77/21/170207721.db2.gz YLFYDBCHMRQZHF-CYBMUJFWSA-N 1 0 290.407 2.519 40 10 CFCBRO CC(=O)Nc1ccc(/N=N\c2c(C)nn(C(N)=[NH2+])c2C)cc1 ZINC000104189933 278190020 /nfs/dbraw/zinc/19/00/20/278190020.db2.gz FZAHFRKWXFRCFL-HNENSFHCSA-N 1 0 299.338 2.615 40 10 CFCBRO C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000095496317 375461147 /nfs/dbraw/zinc/46/11/47/375461147.db2.gz XQMAEZIPLCUNLL-AOOOYVTPSA-N 1 0 274.286 2.772 40 10 CFCBRO CCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000116912507 376216566 /nfs/dbraw/zinc/21/65/66/376216566.db2.gz UTBDQSJEGAWFAU-UHFFFAOYSA-N 1 0 272.396 2.649 40 10 CFCBRO CCOc1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225713189 382820723 /nfs/dbraw/zinc/82/07/23/382820723.db2.gz AMMQQQRSAJNFHC-HOTGVXAUSA-N 1 0 260.381 2.806 40 10 CFCBRO Oc1cc2c(cc1O)[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000003727805 169909492 /nfs/dbraw/zinc/90/94/92/169909492.db2.gz NMJWRWIAZGYCTJ-HNNXBMFYSA-N 1 0 275.735 2.986 40 10 CFCBRO COc1ccc(C([N+]#N)c2ccc(OC)cc2)cc1 ZINC000004914577 170040517 /nfs/dbraw/zinc/04/05/17/170040517.db2.gz OWRNAWGCEAUIOY-UHFFFAOYSA-N 1 0 254.289 2.771 40 10 CFCBRO NC(=[NH2+])c1ccc(/N=N/c2ccc(N)cc2N)cc1 ZINC000005487867 283262490 /nfs/dbraw/zinc/26/24/90/283262490.db2.gz ACTOCTBCWSQKNV-VHEBQXMUSA-N 1 0 254.297 2.550 40 10 CFCBRO Nc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011850573 371931090 /nfs/dbraw/zinc/93/10/90/371931090.db2.gz HFSSYCWTIGVIPL-UHFFFAOYSA-N 1 0 267.376 2.591 40 10 CFCBRO COc1cccc(C[NH2+]Cc2ccc(F)s2)c1O ZINC000256054205 190005104 /nfs/dbraw/zinc/00/51/04/190005104.db2.gz VKMFVEZTSBIJAX-UHFFFAOYSA-N 1 0 267.325 2.891 40 10 CFCBRO C[NH2+]C[C@@H](OCCc1ccccc1)c1ccc(O)c(O)c1 ZINC000001593542 371684620 /nfs/dbraw/zinc/68/46/20/371684620.db2.gz LBPQZSRAMFQEHA-QGZVFWFLSA-N 1 0 287.359 2.618 40 10 CFCBRO Oc1cc2c(cc1O)[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000019691259 372180332 /nfs/dbraw/zinc/18/03/32/372180332.db2.gz FHVLQGIZVDLJRB-OAHLLOKOSA-N 1 0 275.735 2.986 40 10 CFCBRO Oc1ccc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)cc1O ZINC000012144192 280452512 /nfs/dbraw/zinc/45/25/12/280452512.db2.gz CSTXMSUVCFSLSM-MRXNPFEDSA-N 1 0 295.342 2.674 40 10 CFCBRO Oc1cc2c(cc1O)[C@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000019691257 285382091 /nfs/dbraw/zinc/38/20/91/285382091.db2.gz FHVLQGIZVDLJRB-HNNXBMFYSA-N 1 0 275.735 2.986 40 10 CFCBRO Cc1ccsc1[C@@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000003703030 393455657 /nfs/dbraw/zinc/45/56/57/393455657.db2.gz ITARWYYVLNICRL-CYBMUJFWSA-N 1 0 261.346 2.703 40 10 CFCBRO CC(C)Cn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000256052472 519507160 /nfs/dbraw/zinc/50/71/60/519507160.db2.gz NLUOBNGJQAAQCI-UHFFFAOYSA-N 1 0 286.423 2.895 40 10 CFCBRO CCCn1cc(C[NH2+]Cc2ccccc2O)c(C)n1 ZINC000256052559 521653141 /nfs/dbraw/zinc/65/31/41/521653141.db2.gz NUXSIHKRPDNCRW-UHFFFAOYSA-N 1 0 259.353 2.597 40 10 CFCBRO Cc1cc(N2CCCC2)c(C)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000019567140 372173155 /nfs/dbraw/zinc/17/31/55/372173155.db2.gz QSNMPFLRYLQLEJ-INIZCTEOSA-N 1 0 288.435 2.718 40 10 CFCBRO Nc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000115051647 376103693 /nfs/dbraw/zinc/10/36/93/376103693.db2.gz TZQRDGBYUMWAIM-CJNGLKHVSA-N 1 0 260.381 2.912 40 10 CFCBRO C[C@H](CCc1ccccc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC000006491754 170205968 /nfs/dbraw/zinc/20/59/68/170205968.db2.gz GEJJIDMFPAQQOR-CYBMUJFWSA-N 1 0 299.370 2.891 40 10 CFCBRO NC(=[NH2+])c1ccc(OCCCCOc2ccc(N)cc2)cc1 ZINC000001748621 371705381 /nfs/dbraw/zinc/70/53/81/371705381.db2.gz NXTPKJUXUXKXNM-UHFFFAOYSA-N 1 0 299.374 2.791 40 10 CFCBRO CC(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000062730035 373765370 /nfs/dbraw/zinc/76/53/70/373765370.db2.gz MAVNRTPZFYGGEL-UHFFFAOYSA-N 1 0 258.159 2.900 40 10 CFCBRO CCCn1nccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000159986167 378742355 /nfs/dbraw/zinc/74/23/55/378742355.db2.gz YELZGICTOJFBHZ-UHFFFAOYSA-N 1 0 272.396 2.649 40 10 CFCBRO CC(=O)Nc1ccc(/N=N/c2c(C)nn(C(N)=[NH2+])c2C)cc1 ZINC000018157211 372141345 /nfs/dbraw/zinc/14/13/45/372141345.db2.gz FZAHFRKWXFRCFL-VHEBQXMUSA-N 1 0 299.338 2.615 40 10 CFCBRO Cc1cc(N2CCCC2)c(C)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000019567137 372174285 /nfs/dbraw/zinc/17/42/85/372174285.db2.gz QSNMPFLRYLQLEJ-MRXNPFEDSA-N 1 0 288.435 2.718 40 10 CFCBRO CC(C)Cn1ccc(C[NH2+]Cc2ccccc2O)n1 ZINC000256055085 190005276 /nfs/dbraw/zinc/00/52/76/190005276.db2.gz ZBYGHJCRANJKML-UHFFFAOYSA-N 1 0 259.353 2.535 40 10 CFCBRO COCC[NH2+]Cc1cc(C)n(-c2ccccc2F)c1C ZINC000223669380 382806057 /nfs/dbraw/zinc/80/60/57/382806057.db2.gz ARKZTVMHKQBFDN-UHFFFAOYSA-N 1 0 276.355 2.969 40 10 CFCBRO C[C@@H](c1cc(C(C)(C)C)ccc1O)N1CC[NH2+]CC1 ZINC000022014393 296224311 /nfs/dbraw/zinc/22/43/11/296224311.db2.gz OGDLMQYRKKMBJF-LBPRGKRZSA-N 1 0 262.397 2.656 40 10 CFCBRO C[C@H]1C[C@@H]2c3cccc4c3c(cn4CO)C[C@@H]2[N@H+](C)C1 ZINC000006268336 371888733 /nfs/dbraw/zinc/88/87/33/371888733.db2.gz ZRSYFDQOVJPDJB-PEYYIBSZSA-N 1 0 270.376 2.571 40 10 CFCBRO C[C@@H]1C[C@H]2c3cccc4c3c(cn4CO)C[C@@H]2[N@H+](C)C1 ZINC000006266351 371888864 /nfs/dbraw/zinc/88/88/64/371888864.db2.gz ZRSYFDQOVJPDJB-WPGHFRTFSA-N 1 0 270.376 2.571 40 10 CFCBRO O=C(C[NH2+]CCCc1ccccc1)c1ccc(O)c(O)c1 ZINC000040791371 372791510 /nfs/dbraw/zinc/79/15/10/372791510.db2.gz CMUGHTFXRUONSU-UHFFFAOYSA-N 1 0 285.343 2.503 40 10 CFCBRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000036369690 172625897 /nfs/dbraw/zinc/62/58/97/172625897.db2.gz TYROVGXVOBWINF-RDTXWAMCSA-N 1 0 284.403 2.964 40 10 CFCBRO Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000003727806 280451097 /nfs/dbraw/zinc/45/10/97/280451097.db2.gz NMJWRWIAZGYCTJ-OAHLLOKOSA-N 1 0 275.735 2.986 40 10 CFCBRO Oc1ccc([C@H]2Nc3ccccc3C3=[NH+]CCCN32)cc1O ZINC000012144193 371946435 /nfs/dbraw/zinc/94/64/35/371946435.db2.gz CSTXMSUVCFSLSM-INIZCTEOSA-N 1 0 295.342 2.674 40 10 CFCBRO CC(C)c1cc(C[NH2+]Cc2ccccc2O)n(C)n1 ZINC000256052790 190004043 /nfs/dbraw/zinc/00/40/43/190004043.db2.gz ORIXDNABWNCZEK-UHFFFAOYSA-N 1 0 259.353 2.539 40 10 CFCBRO COCC[NH2+]Cc1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223674455 382806289 /nfs/dbraw/zinc/80/62/89/382806289.db2.gz SDWOFLOJZFLZGF-UHFFFAOYSA-N 1 0 288.391 2.839 40 10 CFCBRO CCOc1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225713164 393769154 /nfs/dbraw/zinc/76/91/54/393769154.db2.gz AMMQQQRSAJNFHC-CVEARBPZSA-N 1 0 260.381 2.806 40 10 CFCBRO CN(C)c1ccc([C@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000001666307 371694351 /nfs/dbraw/zinc/69/43/51/371694351.db2.gz VFUWFRYDGAVPAO-SFHVURJKSA-N 1 0 284.403 2.618 40 10 CFCBRO Cc1cc(N2CCCC2)c(F)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000012147830 371947921 /nfs/dbraw/zinc/94/79/21/371947921.db2.gz JAWARLOOLMLEGO-CQSZACIVSA-N 1 0 292.398 2.549 40 10 CFCBRO COc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000256052124 383488890 /nfs/dbraw/zinc/48/88/90/383488890.db2.gz LZPQEPDCIROFOO-UHFFFAOYSA-N 1 0 297.402 2.600 40 10 CFCBRO CN(C)c1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000005797894 289411882 /nfs/dbraw/zinc/41/18/82/289411882.db2.gz CJWFTHZGKMRDJR-BBWFWOEESA-N 1 0 274.408 2.708 40 10 CFCBRO Nc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019390423 372158626 /nfs/dbraw/zinc/15/86/26/372158626.db2.gz CAISXJKFAFAXKI-UHFFFAOYSA-N 1 0 285.366 2.730 40 10 CFCBRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000036369689 372575324 /nfs/dbraw/zinc/57/53/24/372575324.db2.gz TYROVGXVOBWINF-KBXCAEBGSA-N 1 0 284.403 2.964 40 10 CFCBRO C[NH2+][C@@H](Cc1ccccc1)c1cccc(OC)c1O ZINC000001667182 371694195 /nfs/dbraw/zinc/69/41/95/371694195.db2.gz MNKSJKLEOTWLDU-AWEZNQCLSA-N 1 0 257.333 2.904 40 10 in-vitro CFCBRO CCOC(=O)c1[nH]c(C)c(/C=C/c2cccc[n+]2C)c1C ZINC000005002338 170053542 /nfs/dbraw/zinc/05/35/42/170053542.db2.gz MZABXGNGBHMJQI-UHFFFAOYSA-O 1 0 285.367 2.803 40 10 CFCBRO CCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000020351234 171156191 /nfs/dbraw/zinc/15/61/91/171156191.db2.gz LFUNVLSIMFAQIX-UHFFFAOYSA-N 1 0 272.396 2.567 40 10 CFCBRO COc1ccc(N2CC[NH2+]CC23CCCCC3)cc1 ZINC000016945619 536704881 /nfs/dbraw/zinc/70/48/81/536704881.db2.gz UQEQWIQKNZHDOR-UHFFFAOYSA-N 1 0 260.381 2.808 40 10 CFCBRO Oc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000001857738 371708805 /nfs/dbraw/zinc/70/88/05/371708805.db2.gz GRUCHYFPKIRVKI-UHFFFAOYSA-N 1 0 253.305 2.558 40 10 CFCBRO CN(C)c1ccc([C@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc1 ZINC000015799412 372093204 /nfs/dbraw/zinc/09/32/04/372093204.db2.gz CJWFTHZGKMRDJR-GVDBMIGSSA-N 1 0 274.408 2.708 40 10 CFCBRO COCC[NH2+]Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223669995 382806312 /nfs/dbraw/zinc/80/63/12/382806312.db2.gz LFGPCMKMKZALIV-UHFFFAOYSA-N 1 0 276.355 2.969 40 10 CFCBRO COC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000015423838 372083325 /nfs/dbraw/zinc/08/33/25/372083325.db2.gz OHJFKCWMFAMCDN-UHFFFAOYSA-N 1 0 290.407 2.528 40 10 CFCBRO c1cc([C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC000257321994 190033481 /nfs/dbraw/zinc/03/34/81/190033481.db2.gz WEFKGISXFIAWPJ-INIZCTEOSA-N 1 0 296.418 2.999 40 10 CFCBRO CC[N+](=Nc1ccccc1)NN1C(=O)c2ccccc2C1=O ZINC000408822370 380947719 /nfs/dbraw/zinc/94/77/19/380947719.db2.gz MRWPRNZSLKAONS-UHFFFAOYSA-N 1 0 295.322 2.709 40 10 CFCBRO Nc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000096526694 347702318 /nfs/dbraw/zinc/70/23/18/347702318.db2.gz TZQRDGBYUMWAIM-CZUORRHYSA-N 1 0 260.381 2.912 40 10 CFCBRO c1cc([C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC000257321995 190033220 /nfs/dbraw/zinc/03/32/20/190033220.db2.gz WEFKGISXFIAWPJ-MRXNPFEDSA-N 1 0 296.418 2.999 40 10 CFCBRO Nc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000115051645 376103430 /nfs/dbraw/zinc/10/34/30/376103430.db2.gz TZQRDGBYUMWAIM-BBRMVZONSA-N 1 0 260.381 2.912 40 10 CFCBRO c1ccc2oc(-c3ccc(N4CC[NH2+]CC4)cc3)nc2c1 ZINC000002527239 296629148 /nfs/dbraw/zinc/62/91/48/296629148.db2.gz LCMNDMOKEJXAOT-UHFFFAOYSA-N 1 0 279.343 2.904 40 10 CFCBRO Cc1cc(C)[n+](CCc2ccc(O)c(O)c2)c(C)c1 ZINC000005538109 170110534 /nfs/dbraw/zinc/11/05/34/170110534.db2.gz GYCIGSPEYJBUKI-UHFFFAOYSA-O 1 0 258.341 2.553 40 10 CFCBRO CN(C)c1ccc(C[NH2+]Cc2ccnn2C(F)F)cc1 ZINC000256050985 522209607 /nfs/dbraw/zinc/20/96/07/522209607.db2.gz HHEAFNMSLZVOCD-UHFFFAOYSA-N 1 0 280.322 2.634 40 10 CFCBRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000036369688 372575019 /nfs/dbraw/zinc/57/50/19/372575019.db2.gz TYROVGXVOBWINF-KDOFPFPSSA-N 1 0 284.403 2.964 40 10 CFCBRO Oc1cc2c(cc1O)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000004724966 275060779 /nfs/dbraw/zinc/06/07/79/275060779.db2.gz GGGSEBXTKMTNBW-AWEZNQCLSA-N 1 0 255.317 2.527 40 10 CFCBRO Nc1ccc(OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019731845 393482995 /nfs/dbraw/zinc/48/29/95/393482995.db2.gz XEEMYGPAQINEGD-UHFFFAOYSA-N 1 0 268.360 2.706 40 10 CFCBRO CC(C)Cn1cc(C[NH2+]Cc2ccccc2O)cn1 ZINC000256055200 190005288 /nfs/dbraw/zinc/00/52/88/190005288.db2.gz ZQQLPGPTWITBQL-UHFFFAOYSA-N 1 0 259.353 2.535 40 10 CFCBRO CCN(CC)CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000021516969 171313316 /nfs/dbraw/zinc/31/33/16/171313316.db2.gz OGADNXIXBSQYTG-UHFFFAOYSA-N 1 0 277.456 2.964 40 10 CFCBRO NC(=[NH2+])c1ccc(/N=N\c2ccc(N)cc2N)cc1 ZINC000104245210 303220235 /nfs/dbraw/zinc/22/02/35/303220235.db2.gz ACTOCTBCWSQKNV-HNENSFHCSA-N 1 0 254.297 2.550 40 10 CFCBRO C[C@@H](Cc1ccccc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC000001673161 371694919 /nfs/dbraw/zinc/69/49/19/371694919.db2.gz XCVZMAGJKSOXDE-LBPRGKRZSA-N 1 0 285.343 2.501 40 10 CFCBRO [NH3+]Cc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000020265985 372236913 /nfs/dbraw/zinc/23/69/13/372236913.db2.gz AWALVSXRYDZKIP-UHFFFAOYSA-N 1 0 299.393 2.607 40 10 CFCBRO CC(C)n1nccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000256053157 190004336 /nfs/dbraw/zinc/00/43/36/190004336.db2.gz QGUHDRUCMSOPHC-UHFFFAOYSA-N 1 0 272.396 2.820 40 10 CFCBRO CC(C)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000256050133 519832946 /nfs/dbraw/zinc/83/29/46/519832946.db2.gz CVPZSUVBOICWOI-UHFFFAOYSA-N 1 0 286.423 2.899 40 10 CFCBRO C[C@H]1C[C@H]2c3cccc4c3c(cn4CO)C[C@@H]2[N@H+](C)C1 ZINC000001575225 371682973 /nfs/dbraw/zinc/68/29/73/371682973.db2.gz ZRSYFDQOVJPDJB-PJODQICGSA-N 1 0 270.376 2.571 40 10 CFCBRO C[C@@H](CCc1ccccc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC000001621632 371688055 /nfs/dbraw/zinc/68/80/55/371688055.db2.gz GEJJIDMFPAQQOR-ZDUSSCGKSA-N 1 0 299.370 2.891 40 10 CFCBRO C[NH+](C)Cc1cc(C(C)(C)C)cc(N2CCOCC2)c1O ZINC000001683259 371696673 /nfs/dbraw/zinc/69/66/73/371696673.db2.gz WDWZMTLYIOLOEH-UHFFFAOYSA-N 1 0 292.423 2.588 40 10 CFCBRO CCc1ccc(/C=C\c2ccc(O)c(O)c2)[n+](C)c1 ZINC000005049330 170060924 /nfs/dbraw/zinc/06/09/24/170060924.db2.gz VKQDPSKDUTWMLV-UHFFFAOYSA-O 1 0 256.325 2.655 40 10 CFCBRO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000006500168 170207829 /nfs/dbraw/zinc/20/78/29/170207829.db2.gz YLFYDBCHMRQZHF-ZDUSSCGKSA-N 1 0 290.407 2.519 40 10 CFCBRO [NH3+]Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1 ZINC000085652810 295278273 /nfs/dbraw/zinc/27/82/73/295278273.db2.gz AFLDOYDSDIMPOC-UHFFFAOYSA-N 1 0 258.287 2.924 40 10 CFCBRO CCOc1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218833573 333136752 /nfs/dbraw/zinc/13/67/52/333136752.db2.gz AMMQQQRSAJNFHC-HZPDHXFCSA-N 1 0 260.381 2.806 40 10 CFCBRO CCOc1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218833663 382791078 /nfs/dbraw/zinc/79/10/78/382791078.db2.gz AMMQQQRSAJNFHC-JKSUJKDBSA-N 1 0 260.381 2.806 40 10 CFCBRO