smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(F)c(F)c(F)c3)CC2)[nH+]1 ZINC000128143726 1031727826 /nfs/dbraw/zinc/72/78/26/1031727826.db2.gz XMVLHZHFYOMZBA-CYBMUJFWSA-N 2 1 349.400 4.127 10 0 EIAEMP [NH3+][C@@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053938555 214206369 /nfs/dbraw/zinc/20/63/69/214206369.db2.gz FNTCFVXPXZQQLM-INIZCTEOSA-N 2 1 325.294 4.105 10 0 EIAEMP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000027552199 202156784 /nfs/dbraw/zinc/15/67/84/202156784.db2.gz UUFHWDXXMIFWRG-GFCCVEGCSA-N 2 1 336.277 4.140 10 0 EIAEMP CC[N@H+](CC[C@@H]([NH2+]C)c1ccc(Br)cc1)CC(C)C ZINC000053938906 214205725 /nfs/dbraw/zinc/20/57/25/214205725.db2.gz VYUQUQIOTFYBCT-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[N@@H+](CC[C@@H]([NH2+]C)c1ccc(Br)cc1)CC(C)C ZINC000053938906 214205726 /nfs/dbraw/zinc/20/57/26/214205726.db2.gz VYUQUQIOTFYBCT-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP CCCC[N@H+](C)CC[C@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938218 214205655 /nfs/dbraw/zinc/20/56/55/214205655.db2.gz GRRVIFFAQZDTOF-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCC[N@@H+](C)CC[C@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938218 214205658 /nfs/dbraw/zinc/20/56/58/214205658.db2.gz GRRVIFFAQZDTOF-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCC(CC)[N@H+](C)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939923 214206071 /nfs/dbraw/zinc/20/60/71/214206071.db2.gz BUISESUCDMGEJS-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CCC(CC)[N@@H+](C)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939923 214206073 /nfs/dbraw/zinc/20/60/73/214206073.db2.gz BUISESUCDMGEJS-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CCC[NH2+][C@H](CC[N@@H+](C)CCC)c1cccc(Br)c1 ZINC000053939277 214206657 /nfs/dbraw/zinc/20/66/57/214206657.db2.gz ARFQAKXCVXIXPL-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP CCC[NH+](CCC)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938158 214206668 /nfs/dbraw/zinc/20/66/68/214206668.db2.gz XPZCMLVFZTXMQD-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C(C)C ZINC000042953351 204186537 /nfs/dbraw/zinc/18/65/37/204186537.db2.gz FBKDUXAJKSSLKE-APHBMKBZSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000042953351 204186539 /nfs/dbraw/zinc/18/65/39/204186539.db2.gz FBKDUXAJKSSLKE-APHBMKBZSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020644 204199176 /nfs/dbraw/zinc/19/91/76/204199176.db2.gz OCELTFWQVWIQLL-MAZHCROVSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020644 204199179 /nfs/dbraw/zinc/19/91/79/204199179.db2.gz OCELTFWQVWIQLL-MAZHCROVSA-N 2 1 327.310 4.204 10 0 EIAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)s3)CC2)[nH+]1 ZINC000128108258 1031723779 /nfs/dbraw/zinc/72/37/79/1031723779.db2.gz RFPSPZUXPFUFTI-ZDUSSCGKSA-N 2 1 335.904 4.425 10 0 EIAEMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128140666 1031726949 /nfs/dbraw/zinc/72/69/49/1031726949.db2.gz QEAJSAQLWMZRFP-KRWDZBQOSA-N 2 1 339.483 4.027 10 0 EIAEMP CCCCC[N@H+](C)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939584 214206167 /nfs/dbraw/zinc/20/61/67/214206167.db2.gz UQUCKGBWPNAWBH-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCCC[N@@H+](C)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939584 214206169 /nfs/dbraw/zinc/20/61/69/214206169.db2.gz UQUCKGBWPNAWBH-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CC[NH2+][C@@H](CC[N@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939393 214206347 /nfs/dbraw/zinc/20/63/47/214206347.db2.gz FGXAVPNEGTWABL-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[NH2+][C@@H](CC[N@@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939393 214206349 /nfs/dbraw/zinc/20/63/49/214206349.db2.gz FGXAVPNEGTWABL-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[NH2+][C@@H](CC[N@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939208 214206357 /nfs/dbraw/zinc/20/63/57/214206357.db2.gz HOTGIIZGWSXTOO-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP CC[NH2+][C@@H](CC[N@@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939208 214206359 /nfs/dbraw/zinc/20/63/59/214206359.db2.gz HOTGIIZGWSXTOO-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407742 241189588 /nfs/dbraw/zinc/18/95/88/241189588.db2.gz ADUXFTNUUGJUSF-QWHCGFSZSA-N 2 1 345.350 4.426 10 0 EIAEMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407742 241189590 /nfs/dbraw/zinc/18/95/90/241189590.db2.gz ADUXFTNUUGJUSF-QWHCGFSZSA-N 2 1 345.350 4.426 10 0 EIAEMP CCC(CC)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020649 204198245 /nfs/dbraw/zinc/19/82/45/204198245.db2.gz YIIIRJFHQJKIJE-CVEARBPZSA-N 2 1 327.310 4.348 10 0 EIAEMP CCC(CC)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020649 204198249 /nfs/dbraw/zinc/19/82/49/204198249.db2.gz YIIIRJFHQJKIJE-CVEARBPZSA-N 2 1 327.310 4.348 10 0 EIAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020640 204199063 /nfs/dbraw/zinc/19/90/63/204199063.db2.gz OCELTFWQVWIQLL-APHBMKBZSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020640 204199064 /nfs/dbraw/zinc/19/90/64/204199064.db2.gz OCELTFWQVWIQLL-APHBMKBZSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)CC(C)C ZINC000043020394 204199242 /nfs/dbraw/zinc/19/92/42/204199242.db2.gz DTHAKBIQZQNQGH-JKSUJKDBSA-N 2 1 327.310 4.205 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)CC(C)C ZINC000043020394 204199243 /nfs/dbraw/zinc/19/92/43/204199243.db2.gz DTHAKBIQZQNQGH-JKSUJKDBSA-N 2 1 327.310 4.205 10 0 EIAEMP C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011873392 563995256 /nfs/dbraw/zinc/99/52/56/563995256.db2.gz OSNZBCCOSPZFQE-QPHYPNAHSA-N 2 1 334.454 4.219 10 0 EIAEMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(Cl)s3)CC2)[nH+]1 ZINC000128108515 1031722949 /nfs/dbraw/zinc/72/29/49/1031722949.db2.gz RFPSPZUXPFUFTI-CYBMUJFWSA-N 2 1 335.904 4.425 10 0 EIAEMP CC[N@H+](CC[C@@H]([NH3+])c1ccccc1Br)C1CCCC1 ZINC000054017760 214211302 /nfs/dbraw/zinc/21/13/02/214211302.db2.gz XZMYQGYFVNMQCC-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[N@@H+](CC[C@@H]([NH3+])c1ccccc1Br)C1CCCC1 ZINC000054017760 214211304 /nfs/dbraw/zinc/21/13/04/214211304.db2.gz XZMYQGYFVNMQCC-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)CC(C)C ZINC000042952936 204184579 /nfs/dbraw/zinc/18/45/79/204184579.db2.gz PAHCLFHSSSAGAU-JKSUJKDBSA-N 2 1 327.310 4.205 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CC(C)C ZINC000042952936 204184582 /nfs/dbraw/zinc/18/45/82/204184582.db2.gz PAHCLFHSSSAGAU-JKSUJKDBSA-N 2 1 327.310 4.205 10 0 EIAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C(C)C ZINC000042953354 204185415 /nfs/dbraw/zinc/18/54/15/204185415.db2.gz FBKDUXAJKSSLKE-RCBQFDQVSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000042953354 204185418 /nfs/dbraw/zinc/18/54/18/204185418.db2.gz FBKDUXAJKSSLKE-RCBQFDQVSA-N 2 1 327.310 4.204 10 0 EIAEMP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCCC1 ZINC000043020010 204198082 /nfs/dbraw/zinc/19/80/82/204198082.db2.gz WWIOJCFPRZVCKV-LRDDRELGSA-N 2 1 325.294 4.102 10 0 EIAEMP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCCC1 ZINC000043020010 204198087 /nfs/dbraw/zinc/19/80/87/204198087.db2.gz WWIOJCFPRZVCKV-LRDDRELGSA-N 2 1 325.294 4.102 10 0 EIAEMP CCC[N@H+](CC)CC[C@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938864 214206479 /nfs/dbraw/zinc/20/64/79/214206479.db2.gz BSXAPVAHJPHSMC-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCC[N@@H+](CC)CC[C@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938864 214206482 /nfs/dbraw/zinc/20/64/82/214206482.db2.gz BSXAPVAHJPHSMC-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP c1ccc2c(NCC[NH+]3CCCCC3)cc(-c3cccnc3)[nH+]c2c1 ZINC000253495292 244005184 /nfs/dbraw/zinc/00/51/84/244005184.db2.gz VQUUIAWNCRRMQS-UHFFFAOYSA-N 2 1 332.451 4.195 10 0 EIAEMP C[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000053938398 214205843 /nfs/dbraw/zinc/20/58/43/214205843.db2.gz RHHZUXSZASDARE-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP C[N@@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000053938398 214205845 /nfs/dbraw/zinc/20/58/45/214205845.db2.gz RHHZUXSZASDARE-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020338 204198790 /nfs/dbraw/zinc/19/87/90/204198790.db2.gz PJEHFNSEODPHMU-JKSUJKDBSA-N 2 1 325.294 4.102 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020338 204198794 /nfs/dbraw/zinc/19/87/94/204198794.db2.gz PJEHFNSEODPHMU-JKSUJKDBSA-N 2 1 325.294 4.102 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020639 204199023 /nfs/dbraw/zinc/19/90/23/204199023.db2.gz OCELTFWQVWIQLL-VBNZEHGJSA-N 2 1 327.310 4.204 10 0 EIAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020639 204199027 /nfs/dbraw/zinc/19/90/27/204199027.db2.gz OCELTFWQVWIQLL-VBNZEHGJSA-N 2 1 327.310 4.204 10 0 EIAEMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CCC2 ZINC000120750019 1032412008 /nfs/dbraw/zinc/41/20/08/1032412008.db2.gz SMFWWKCBDIMWSJ-GOSISDBHSA-N 2 1 333.545 4.073 10 0 EIAEMP CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000128081560 1031723312 /nfs/dbraw/zinc/72/33/12/1031723312.db2.gz NVHIBLRSTHJMNR-CQSZACIVSA-N 2 1 344.528 4.037 10 0 EIAEMP CC(C)C[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000053971878 214207716 /nfs/dbraw/zinc/20/77/16/214207716.db2.gz KIPBPTPSHBEOSA-MRXNPFEDSA-N 2 1 327.310 4.205 10 0 EIAEMP CC(C)C[N@@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000053971878 214207718 /nfs/dbraw/zinc/20/77/18/214207718.db2.gz KIPBPTPSHBEOSA-MRXNPFEDSA-N 2 1 327.310 4.205 10 0 EIAEMP C[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000053873551 214202964 /nfs/dbraw/zinc/20/29/64/214202964.db2.gz SSVNVHYKGRCDGF-SWLSCSKDSA-N 2 1 345.350 4.111 10 0 EIAEMP C[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000053873551 214202967 /nfs/dbraw/zinc/20/29/67/214202967.db2.gz SSVNVHYKGRCDGF-SWLSCSKDSA-N 2 1 345.350 4.111 10 0 EIAEMP CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000103952799 219331751 /nfs/dbraw/zinc/33/17/51/219331751.db2.gz ALTRONLKZGSGQA-JKSUJKDBSA-N 2 1 327.310 4.350 10 0 EIAEMP C[NH2+]CC1(C[N@H+](C)Cc2cc(Br)cs2)CCCCC1 ZINC000051252453 214084549 /nfs/dbraw/zinc/08/45/49/214084549.db2.gz JCSIZRQZGCSGCF-UHFFFAOYSA-N 2 1 345.350 4.112 10 0 EIAEMP C[NH2+]CC1(C[N@@H+](C)Cc2cc(Br)cs2)CCCCC1 ZINC000051252453 214084553 /nfs/dbraw/zinc/08/45/53/214084553.db2.gz JCSIZRQZGCSGCF-UHFFFAOYSA-N 2 1 345.350 4.112 10 0 EIAEMP CC(C)(C)[NH2+]CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000053660373 214192699 /nfs/dbraw/zinc/19/26/99/214192699.db2.gz ALXROHVQZZRTAT-UHFFFAOYSA-N 2 1 345.350 4.111 10 0 EIAEMP CC[NH+](CC)CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013734259 211626068 /nfs/dbraw/zinc/62/60/68/211626068.db2.gz KOXLXEQAMALVLB-UHFFFAOYSA-N 2 1 344.474 4.226 10 0 EIAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccccc1Br)Cc1cccs1 ZINC000054017620 214210766 /nfs/dbraw/zinc/21/07/66/214210766.db2.gz MVFGSZRLRQERPE-OAHLLOKOSA-N 2 1 339.302 4.033 10 0 EIAEMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1OC ZINC000128220941 1031729576 /nfs/dbraw/zinc/72/95/76/1031729576.db2.gz JEQRPUVSPNCHLM-LJQANCHMSA-N 2 1 339.483 4.108 10 0 EIAEMP C[N@@H+](CC[C@H]([NH3+])c1ccccc1Br)Cc1cccs1 ZINC000054017618 214210967 /nfs/dbraw/zinc/21/09/67/214210967.db2.gz MVFGSZRLRQERPE-HNNXBMFYSA-N 2 1 339.302 4.033 10 0 EIAEMP C[NH2+]CCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874254 212180361 /nfs/dbraw/zinc/18/03/61/212180361.db2.gz FFKQRGLLDJWEJX-UHFFFAOYSA-N 2 1 348.490 4.426 10 0 EIAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000019913017 212083483 /nfs/dbraw/zinc/08/34/83/212083483.db2.gz NPGIKIARZNYDQY-GJZGRUSLSA-N 2 1 339.321 4.364 10 0 EIAEMP CCCC[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000053940865 214205239 /nfs/dbraw/zinc/20/52/39/214205239.db2.gz QECNZJVJEWWPOK-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCC[N@@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000053940865 214205241 /nfs/dbraw/zinc/20/52/41/214205241.db2.gz QECNZJVJEWWPOK-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CCC[NH2+][C@H](CC[N@@H+](C)C(C)C)c1cccc(Br)c1 ZINC000053938052 214206556 /nfs/dbraw/zinc/20/65/56/214206556.db2.gz AYFAWOPCWTYNMM-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP [NH3+][C@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053938553 214206834 /nfs/dbraw/zinc/20/68/34/214206834.db2.gz FNTCFVXPXZQQLM-MRXNPFEDSA-N 2 1 325.294 4.105 10 0 EIAEMP CC(C)[NH2+]CCCCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545195 214132556 /nfs/dbraw/zinc/13/25/56/214132556.db2.gz ZGSBMWCRMBMHHD-UHFFFAOYSA-N 2 1 327.310 4.049 10 0 EIAEMP CCC(CC)[N@H+](C)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939922 214206139 /nfs/dbraw/zinc/20/61/39/214206139.db2.gz BUISESUCDMGEJS-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP CCC(CC)[N@@H+](C)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939922 214206143 /nfs/dbraw/zinc/20/61/43/214206143.db2.gz BUISESUCDMGEJS-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP C[NH2+][C@@H](CC[N@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971921 214208104 /nfs/dbraw/zinc/20/81/04/214208104.db2.gz RKHXQODGFPYMOR-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP C[NH2+][C@@H](CC[N@@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971921 214208107 /nfs/dbraw/zinc/20/81/07/214208107.db2.gz RKHXQODGFPYMOR-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000019913009 212084121 /nfs/dbraw/zinc/08/41/21/212084121.db2.gz VWYMBUJFRVNUMG-GJZGRUSLSA-N 2 1 339.321 4.364 10 0 EIAEMP CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128235199 1031729049 /nfs/dbraw/zinc/72/90/49/1031729049.db2.gz BMYHAUPIEDGHLJ-QGZVFWFLSA-N 2 1 339.483 4.108 10 0 EIAEMP CCC[N@H+](CC[C@@H]([NH2+]C)c1ccc(Br)cc1)C(C)C ZINC000053939481 214205705 /nfs/dbraw/zinc/20/57/05/214205705.db2.gz GVIMAIQAZWWHBS-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CCC[N@@H+](CC[C@@H]([NH2+]C)c1ccc(Br)cc1)C(C)C ZINC000053939481 214205707 /nfs/dbraw/zinc/20/57/07/214205707.db2.gz GVIMAIQAZWWHBS-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CC[N@H+](CC[C@H]([NH2+]C)c1ccc(Br)cc1)CC(C)C ZINC000053938904 214205389 /nfs/dbraw/zinc/20/53/89/214205389.db2.gz VYUQUQIOTFYBCT-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[N@@H+](CC[C@H]([NH2+]C)c1ccc(Br)cc1)CC(C)C ZINC000053938904 214205391 /nfs/dbraw/zinc/20/53/91/214205391.db2.gz VYUQUQIOTFYBCT-INIZCTEOSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)CC)c1cccc(Br)c1 ZINC000053938810 214205509 /nfs/dbraw/zinc/20/55/09/214205509.db2.gz ZKHKQNALZCHBAM-BBRMVZONSA-N 2 1 327.310 4.220 10 0 EIAEMP CC[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)CC)c1cccc(Br)c1 ZINC000053938810 214205510 /nfs/dbraw/zinc/20/55/10/214205510.db2.gz ZKHKQNALZCHBAM-BBRMVZONSA-N 2 1 327.310 4.220 10 0 EIAEMP CCCC[N@H+](CC)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938316 214206035 /nfs/dbraw/zinc/20/60/35/214206035.db2.gz BACNPGCZUJPZBL-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCC[N@@H+](CC)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938316 214206039 /nfs/dbraw/zinc/20/60/39/214206039.db2.gz BACNPGCZUJPZBL-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP CCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000128081790 1031724296 /nfs/dbraw/zinc/72/42/96/1031724296.db2.gz NVHIBLRSTHJMNR-AWEZNQCLSA-N 2 1 344.528 4.037 10 0 EIAEMP Cc1cccc(N2CCC([NH2+][C@H]3CCSc4ccccc43)CC2)[nH+]1 ZINC000128113508 1031727683 /nfs/dbraw/zinc/72/76/83/1031727683.db2.gz DXDHFBVWLPBFOP-SFHVURJKSA-N 2 1 339.508 4.186 10 0 EIAEMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)cc1 ZINC000128137514 1031728017 /nfs/dbraw/zinc/72/80/17/1031728017.db2.gz ZSQKBLOMGVJXPC-FQEVSTJZSA-N 2 1 339.483 4.108 10 0 EIAEMP CCC[N@H+](CC[C@H]([NH2+]C)c1ccc(Br)cc1)C(C)C ZINC000053939480 214205519 /nfs/dbraw/zinc/20/55/19/214205519.db2.gz GVIMAIQAZWWHBS-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP CCC[N@@H+](CC[C@H]([NH2+]C)c1ccc(Br)cc1)C(C)C ZINC000053939480 214205521 /nfs/dbraw/zinc/20/55/21/214205521.db2.gz GVIMAIQAZWWHBS-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP CC[NH2+][C@H](CC[N@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939395 214206538 /nfs/dbraw/zinc/20/65/38/214206538.db2.gz FGXAVPNEGTWABL-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[NH2+][C@H](CC[N@@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939395 214206541 /nfs/dbraw/zinc/20/65/41/214206541.db2.gz FGXAVPNEGTWABL-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP C[N@H+](CC[C@@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017664 214211328 /nfs/dbraw/zinc/21/13/28/214211328.db2.gz ZWBBPRZCHBLPCJ-OAHLLOKOSA-N 2 1 339.302 4.033 10 0 EIAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017664 214211330 /nfs/dbraw/zinc/21/13/30/214211330.db2.gz ZWBBPRZCHBLPCJ-OAHLLOKOSA-N 2 1 339.302 4.033 10 0 EIAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(F)c(F)c(F)c3)CC2)[nH+]1 ZINC000128143499 1031728375 /nfs/dbraw/zinc/72/83/75/1031728375.db2.gz XMVLHZHFYOMZBA-ZDUSSCGKSA-N 2 1 349.400 4.127 10 0 EIAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000053873553 214202468 /nfs/dbraw/zinc/20/24/68/214202468.db2.gz SSVNVHYKGRCDGF-WFASDCNBSA-N 2 1 345.350 4.111 10 0 EIAEMP C[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000053873553 214202471 /nfs/dbraw/zinc/20/24/71/214202471.db2.gz SSVNVHYKGRCDGF-WFASDCNBSA-N 2 1 345.350 4.111 10 0 EIAEMP CC[NH2+][C@H](CC[N@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939210 214206801 /nfs/dbraw/zinc/20/68/01/214206801.db2.gz HOTGIIZGWSXTOO-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CC[NH2+][C@H](CC[N@@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939210 214206804 /nfs/dbraw/zinc/20/68/04/214206804.db2.gz HOTGIIZGWSXTOO-MRXNPFEDSA-N 2 1 327.310 4.220 10 0 EIAEMP CC(C)C[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000053971877 214208261 /nfs/dbraw/zinc/20/82/61/214208261.db2.gz KIPBPTPSHBEOSA-INIZCTEOSA-N 2 1 327.310 4.205 10 0 EIAEMP CC(C)C[N@@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000053971877 214208262 /nfs/dbraw/zinc/20/82/62/214208262.db2.gz KIPBPTPSHBEOSA-INIZCTEOSA-N 2 1 327.310 4.205 10 0 EIAEMP CCCC(C[NH3+])(CCC)[N@H+](C)Cc1ccc(Br)cc1 ZINC000103983004 219336062 /nfs/dbraw/zinc/33/60/62/219336062.db2.gz KCLZQUPQCKGBBB-UHFFFAOYSA-N 2 1 327.310 4.179 10 0 EIAEMP CCCC(C[NH3+])(CCC)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000103983004 219336065 /nfs/dbraw/zinc/33/60/65/219336065.db2.gz KCLZQUPQCKGBBB-UHFFFAOYSA-N 2 1 327.310 4.179 10 0 EIAEMP CC[NH2+]CC(CC)(CC)C[N@H+](C)Cc1cc(Br)cs1 ZINC000103997413 219337361 /nfs/dbraw/zinc/33/73/61/219337361.db2.gz XOMCRIBPZXQGLQ-UHFFFAOYSA-N 2 1 347.366 4.358 10 0 EIAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000103997413 219337363 /nfs/dbraw/zinc/33/73/63/219337363.db2.gz XOMCRIBPZXQGLQ-UHFFFAOYSA-N 2 1 347.366 4.358 10 0 EIAEMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128140460 1031727549 /nfs/dbraw/zinc/72/75/49/1031727549.db2.gz QEAJSAQLWMZRFP-QGZVFWFLSA-N 2 1 339.483 4.027 10 0 EIAEMP CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128235411 1031729389 /nfs/dbraw/zinc/72/93/89/1031729389.db2.gz BMYHAUPIEDGHLJ-KRWDZBQOSA-N 2 1 339.483 4.108 10 0 EIAEMP CCC[NH2+][C@@H](CC[N@@H+](C)C(C)C)c1cccc(Br)c1 ZINC000053938051 214206705 /nfs/dbraw/zinc/20/67/05/214206705.db2.gz AYFAWOPCWTYNMM-INIZCTEOSA-N 2 1 327.310 4.220 10 0 EIAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000088164239 1022550252 /nfs/dbraw/zinc/55/02/52/1022550252.db2.gz FZVDUDLMWFEPMS-RJCAOGMDSA-N 2 1 337.305 4.115 10 0 EIAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000088164239 1022550270 /nfs/dbraw/zinc/55/02/70/1022550270.db2.gz FZVDUDLMWFEPMS-RJCAOGMDSA-N 2 1 337.305 4.115 10 0 EIAEMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)cc1 ZINC000128137742 1031728282 /nfs/dbraw/zinc/72/82/82/1031728282.db2.gz ZSQKBLOMGVJXPC-HXUWFJFHSA-N 2 1 339.483 4.108 10 0 EIAEMP C[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000053938396 214205694 /nfs/dbraw/zinc/20/56/94/214205694.db2.gz RHHZUXSZASDARE-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP C[N@@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000053938396 214205696 /nfs/dbraw/zinc/20/56/96/214205696.db2.gz RHHZUXSZASDARE-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCCC[N@H+](C)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939585 214206378 /nfs/dbraw/zinc/20/63/78/214206378.db2.gz UQUCKGBWPNAWBH-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCCC[N@@H+](C)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053939585 214206379 /nfs/dbraw/zinc/20/63/79/214206379.db2.gz UQUCKGBWPNAWBH-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP C[N@H+](CC[C@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017662 214210708 /nfs/dbraw/zinc/21/07/08/214210708.db2.gz ZWBBPRZCHBLPCJ-HNNXBMFYSA-N 2 1 339.302 4.033 10 0 EIAEMP C[N@@H+](CC[C@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017662 214210709 /nfs/dbraw/zinc/21/07/09/214210709.db2.gz ZWBBPRZCHBLPCJ-HNNXBMFYSA-N 2 1 339.302 4.033 10 0 EIAEMP Cc1[nH+]ccn1-c1ccc(N2CCC([NH2+][C@H](C)CC(C)C)CC2)cc1 ZINC000063856282 132806296 /nfs/dbraw/zinc/80/62/96/132806296.db2.gz OBBGOLHNUNKSPM-QGZVFWFLSA-N 2 1 340.515 4.174 10 0 EIAEMP Cc1cccc(N2CCC([NH2+][C@@H]3CCSc4ccccc43)CC2)[nH+]1 ZINC000128113285 1031724094 /nfs/dbraw/zinc/72/40/94/1031724094.db2.gz DXDHFBVWLPBFOP-GOSISDBHSA-N 2 1 339.508 4.186 10 0 EIAEMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CCC2 ZINC000120750198 1032413106 /nfs/dbraw/zinc/41/31/06/1032413106.db2.gz SMFWWKCBDIMWSJ-SFHVURJKSA-N 2 1 333.545 4.073 10 0 EIAEMP CC[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000053939833 214205912 /nfs/dbraw/zinc/20/59/12/214205912.db2.gz AKZPQTNNWMVVHB-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[N@@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000053939833 214205914 /nfs/dbraw/zinc/20/59/14/214205914.db2.gz AKZPQTNNWMVVHB-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCC[N@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000054019631 214211319 /nfs/dbraw/zinc/21/13/19/214211319.db2.gz MSYUHYNRCFYAAT-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCC[N@@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000054019631 214211321 /nfs/dbraw/zinc/21/13/21/214211321.db2.gz MSYUHYNRCFYAAT-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000053873546 214202705 /nfs/dbraw/zinc/20/27/05/214202705.db2.gz SSVNVHYKGRCDGF-IUODEOHRSA-N 2 1 345.350 4.111 10 0 EIAEMP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000053873546 214202708 /nfs/dbraw/zinc/20/27/08/214202708.db2.gz SSVNVHYKGRCDGF-IUODEOHRSA-N 2 1 345.350 4.111 10 0 EIAEMP CCC[N@H+](CC)CC[C@@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938867 214206457 /nfs/dbraw/zinc/20/64/57/214206457.db2.gz BSXAPVAHJPHSMC-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP CCC[N@@H+](CC)CC[C@@H]([NH2+]CC)c1cccc(Br)c1 ZINC000053938867 214206458 /nfs/dbraw/zinc/20/64/58/214206458.db2.gz BSXAPVAHJPHSMC-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP C[NH2+][C@@H](CC[N@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941831 214206639 /nfs/dbraw/zinc/20/66/39/214206639.db2.gz KMGAFOZCNZAILQ-HNNXBMFYSA-N 2 1 327.310 4.078 10 0 EIAEMP C[NH2+][C@@H](CC[N@@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941831 214206643 /nfs/dbraw/zinc/20/66/43/214206643.db2.gz KMGAFOZCNZAILQ-HNNXBMFYSA-N 2 1 327.310 4.078 10 0 EIAEMP C[NH2+][C@H](CC[N@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971922 214207495 /nfs/dbraw/zinc/20/74/95/214207495.db2.gz RKHXQODGFPYMOR-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP C[NH2+][C@H](CC[N@@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971922 214207498 /nfs/dbraw/zinc/20/74/98/214207498.db2.gz RKHXQODGFPYMOR-MRXNPFEDSA-N 2 1 327.310 4.078 10 0 EIAEMP C[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939773 214205558 /nfs/dbraw/zinc/20/55/58/214205558.db2.gz DCUPAIMWEKOHBV-OAHLLOKOSA-N 2 1 339.302 4.033 10 0 EIAEMP C[N@@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939773 214205560 /nfs/dbraw/zinc/20/55/60/214205560.db2.gz DCUPAIMWEKOHBV-OAHLLOKOSA-N 2 1 339.302 4.033 10 0 EIAEMP C[NH2+][C@H](CC[N@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941833 214206199 /nfs/dbraw/zinc/20/61/99/214206199.db2.gz KMGAFOZCNZAILQ-OAHLLOKOSA-N 2 1 327.310 4.078 10 0 EIAEMP C[NH2+][C@H](CC[N@@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941833 214206202 /nfs/dbraw/zinc/20/62/02/214206202.db2.gz KMGAFOZCNZAILQ-OAHLLOKOSA-N 2 1 327.310 4.078 10 0 EIAEMP CC[N@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CCCC1 ZINC000054017758 214210942 /nfs/dbraw/zinc/21/09/42/214210942.db2.gz XZMYQGYFVNMQCC-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[N@@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CCCC1 ZINC000054017758 214210945 /nfs/dbraw/zinc/21/09/45/214210945.db2.gz XZMYQGYFVNMQCC-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1OC ZINC000128220737 1031730332 /nfs/dbraw/zinc/73/03/32/1031730332.db2.gz JEQRPUVSPNCHLM-IBGZPJMESA-N 2 1 339.483 4.108 10 0 EIAEMP CC[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000053939832 214205682 /nfs/dbraw/zinc/20/56/82/214205682.db2.gz AKZPQTNNWMVVHB-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CC[N@@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000053939832 214205685 /nfs/dbraw/zinc/20/56/85/214205685.db2.gz AKZPQTNNWMVVHB-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CCC[NH+](CCC)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938160 214206839 /nfs/dbraw/zinc/20/68/39/214206839.db2.gz XPZCMLVFZTXMQD-MRXNPFEDSA-N 2 1 327.310 4.222 10 0 EIAEMP C[N@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CCCCC1 ZINC000054016360 214210646 /nfs/dbraw/zinc/21/06/46/214210646.db2.gz LZQCOVZZFOPTLS-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP C[N@@H+](CC[C@H]([NH3+])c1ccccc1Br)C1CCCCC1 ZINC000054016360 214210650 /nfs/dbraw/zinc/21/06/50/214210650.db2.gz LZQCOVZZFOPTLS-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)C1 ZINC000039789216 213242587 /nfs/dbraw/zinc/24/25/87/213242587.db2.gz RSWFDWCZDRKHCP-KGVIQGDOSA-N 2 1 338.495 4.243 10 0 EIAEMP C[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000053873549 214202830 /nfs/dbraw/zinc/20/28/30/214202830.db2.gz SSVNVHYKGRCDGF-DOMZBBRYSA-N 2 1 345.350 4.111 10 0 EIAEMP C[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000053873549 214202832 /nfs/dbraw/zinc/20/28/32/214202832.db2.gz SSVNVHYKGRCDGF-DOMZBBRYSA-N 2 1 345.350 4.111 10 0 EIAEMP C[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939772 214206628 /nfs/dbraw/zinc/20/66/28/214206628.db2.gz DCUPAIMWEKOHBV-HNNXBMFYSA-N 2 1 339.302 4.033 10 0 EIAEMP C[N@@H+](CC[C@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939772 214206631 /nfs/dbraw/zinc/20/66/31/214206631.db2.gz DCUPAIMWEKOHBV-HNNXBMFYSA-N 2 1 339.302 4.033 10 0 EIAEMP CCCC[N@H+](CC)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938313 214206890 /nfs/dbraw/zinc/20/68/90/214206890.db2.gz BACNPGCZUJPZBL-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCC[N@@H+](CC)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053938313 214206892 /nfs/dbraw/zinc/20/68/92/214206892.db2.gz BACNPGCZUJPZBL-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP CCCN(CCC)[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789195 213241736 /nfs/dbraw/zinc/24/17/36/213241736.db2.gz GKKAIATXNXSXMQ-NRFANRHFSA-N 2 1 326.484 4.387 10 0 EIAEMP CCCC[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000053940864 214205492 /nfs/dbraw/zinc/20/54/92/214205492.db2.gz QECNZJVJEWWPOK-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCC[N@@H+](CC[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000053940864 214205495 /nfs/dbraw/zinc/20/54/95/214205495.db2.gz QECNZJVJEWWPOK-INIZCTEOSA-N 2 1 325.294 4.104 10 0 EIAEMP C[N@H+](CC[C@@H]([NH3+])c1ccccc1Br)C1CCCCC1 ZINC000054016362 214210757 /nfs/dbraw/zinc/21/07/57/214210757.db2.gz LZQCOVZZFOPTLS-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP C[N@@H+](CC[C@@H]([NH3+])c1ccccc1Br)C1CCCCC1 ZINC000054016362 214210760 /nfs/dbraw/zinc/21/07/60/214210760.db2.gz LZQCOVZZFOPTLS-MRXNPFEDSA-N 2 1 325.294 4.104 10 0 EIAEMP CCCC(C[NH3+])(CCC)[N@H+](C)Cc1cccc(Br)c1 ZINC000103984529 219335964 /nfs/dbraw/zinc/33/59/64/219335964.db2.gz IQNFXBJCOKXWIX-UHFFFAOYSA-N 2 1 327.310 4.179 10 0 EIAEMP CCCC(C[NH3+])(CCC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000103984529 219335966 /nfs/dbraw/zinc/33/59/66/219335966.db2.gz IQNFXBJCOKXWIX-UHFFFAOYSA-N 2 1 327.310 4.179 10 0 EIAEMP CCC[NH2+][C@@H](CC[N@@H+](C)CCC)c1cccc(Br)c1 ZINC000053939275 214206584 /nfs/dbraw/zinc/20/65/84/214206584.db2.gz ARFQAKXCVXIXPL-INIZCTEOSA-N 2 1 327.310 4.222 10 0 EIAEMP C[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000053939943 214206918 /nfs/dbraw/zinc/20/69/18/214206918.db2.gz BKFBZGVOZULEGH-BBRMVZONSA-N 2 1 327.310 4.076 10 0 EIAEMP C[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000053939943 214206920 /nfs/dbraw/zinc/20/69/20/214206920.db2.gz BKFBZGVOZULEGH-BBRMVZONSA-N 2 1 327.310 4.076 10 0 EIAEMP Clc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040175334 132399249 /nfs/dbraw/zinc/39/92/49/132399249.db2.gz HFBHCVFIXOEDQC-UHFFFAOYSA-N 2 1 337.854 4.210 10 0 EIAEMP