smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000159406120 565205012 /nfs/dbraw/zinc/20/50/12/565205012.db2.gz UIMGKOVXWPXJAB-ZDUSSCGKSA-N 1 0 386.323 3.334 20 70 GGIDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000159456607 565206486 /nfs/dbraw/zinc/20/64/86/565206486.db2.gz ZKZXRZPOASYKAK-HZPDHXFCSA-N 1 0 386.323 3.073 20 70 GGIDRO Cc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1Cl ZINC000159456236 565206554 /nfs/dbraw/zinc/20/65/54/565206554.db2.gz CBPVRPIOMJNRCG-LSDHHAIUSA-N 1 0 386.323 3.195 20 70 GGIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000159570834 565210647 /nfs/dbraw/zinc/21/06/47/565210647.db2.gz SBIKURNMTWJTOB-LLVKDONJSA-N 1 0 392.668 3.159 20 70 GGIDRO CC[NH+]1CCC(NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000159584812 565211401 /nfs/dbraw/zinc/21/14/01/565211401.db2.gz YHDTXWMMOBHEDB-UHFFFAOYSA-N 1 0 392.668 3.159 20 70 GGIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000159620855 565212550 /nfs/dbraw/zinc/21/25/50/565212550.db2.gz OTHDRMITODQJKH-RDTXWAMCSA-N 1 0 395.341 3.345 20 70 GGIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000159620717 565212654 /nfs/dbraw/zinc/21/26/54/565212654.db2.gz OTHDRMITODQJKH-KSSFIOAISA-N 1 0 395.341 3.345 20 70 GGIDRO C[N@H+](CC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700123 565215030 /nfs/dbraw/zinc/21/50/30/565215030.db2.gz KRZFDEBCEBXFDC-LSDHHAIUSA-N 1 0 379.595 3.165 20 70 GGIDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159731406 565216250 /nfs/dbraw/zinc/21/62/50/565216250.db2.gz VJXDZYIWWXJSIU-UHFFFAOYSA-N 1 0 391.313 3.031 20 70 GGIDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 ZINC000159740967 565216707 /nfs/dbraw/zinc/21/67/07/565216707.db2.gz MAFKEZGSWSFUKN-KRWDZBQOSA-N 1 0 380.535 3.010 20 70 GGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159811872 565219343 /nfs/dbraw/zinc/21/93/43/565219343.db2.gz KAWNTMUMSQUZMT-GJZGRUSLSA-N 1 0 377.330 3.071 20 70 GGIDRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1Br ZINC000159920271 565223905 /nfs/dbraw/zinc/22/39/05/565223905.db2.gz SICQBGDTHCFDPD-UHFFFAOYSA-N 1 0 389.297 3.157 20 70 GGIDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000159904412 565224011 /nfs/dbraw/zinc/22/40/11/565224011.db2.gz VNYBAMXBDUKFEO-UHFFFAOYSA-N 1 0 392.297 3.216 20 70 GGIDRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C1CC[NH+](C)CC1 ZINC000159936433 565224893 /nfs/dbraw/zinc/22/48/93/565224893.db2.gz ZSUJVAHLRGVWKV-DYVFJYSZSA-N 1 0 381.314 3.079 20 70 GGIDRO O=C(CCCCOc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159970303 565226426 /nfs/dbraw/zinc/22/64/26/565226426.db2.gz NBJXUQTZYSTZQI-IYBDPMFKSA-N 1 0 381.314 3.351 20 70 GGIDRO CC(C)([NH3+])CNC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000160042378 565229162 /nfs/dbraw/zinc/22/91/62/565229162.db2.gz UJLACKVQYWJZSO-UHFFFAOYSA-N 1 0 377.282 3.495 20 70 GGIDRO COc1ccc(Br)c(CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000160084141 565229944 /nfs/dbraw/zinc/22/99/44/565229944.db2.gz YTVWWMGKNQXKFW-AWEZNQCLSA-N 1 0 381.314 3.133 20 70 GGIDRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160140173 565232579 /nfs/dbraw/zinc/23/25/79/565232579.db2.gz ZBVDDNBMRKMQIK-OAHLLOKOSA-N 1 0 387.343 3.088 20 70 GGIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]([NH3+])CCSC)s2)cc1 ZINC000160131336 565232955 /nfs/dbraw/zinc/23/29/55/565232955.db2.gz KASSEQQMVWZXGU-ABAIWWIYSA-N 1 0 379.551 3.385 20 70 GGIDRO Cc1sc2ncnc(SCCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1C ZINC000160279429 565238333 /nfs/dbraw/zinc/23/83/33/565238333.db2.gz LDNKKNNAZKHMMV-OKILXGFUSA-N 1 0 376.551 3.143 20 70 GGIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000160306031 565240005 /nfs/dbraw/zinc/24/00/05/565240005.db2.gz OSVVCWQYGFJMDK-NSHDSACASA-N 1 0 386.340 3.126 20 70 GGIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160288227 565240315 /nfs/dbraw/zinc/24/03/15/565240315.db2.gz LBJDPUUVLRGXJA-GASCZTMLSA-N 1 0 399.377 3.297 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1sccc1Br ZINC000160360443 565241645 /nfs/dbraw/zinc/24/16/45/565241645.db2.gz ILGWUNOCAYWIJV-KBPBESRZSA-N 1 0 387.343 3.008 20 70 GGIDRO COc1cccc(CCC[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000160343473 565241797 /nfs/dbraw/zinc/24/17/97/565241797.db2.gz WDRLHAJDZWTMIU-UHFFFAOYSA-N 1 0 392.297 3.356 20 70 GGIDRO CC1CC[NH+](CCCCNC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000160381925 565242602 /nfs/dbraw/zinc/24/26/02/565242602.db2.gz MOYKNILMAXIJDI-UHFFFAOYSA-N 1 0 399.377 3.441 20 70 GGIDRO C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000160406692 565244512 /nfs/dbraw/zinc/24/45/12/565244512.db2.gz XWHWVSOLLHJSPM-WMLDXEAASA-N 1 0 383.330 3.122 20 70 GGIDRO C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000160406441 565244672 /nfs/dbraw/zinc/24/46/72/565244672.db2.gz XWHWVSOLLHJSPM-YOEHRIQHSA-N 1 0 383.330 3.122 20 70 GGIDRO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000160428228 565245112 /nfs/dbraw/zinc/24/51/12/565245112.db2.gz FHZVIRBGWQJFGJ-QGZVFWFLSA-N 1 0 382.346 3.042 20 70 GGIDRO Cc1nc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Br ZINC000160436919 565245719 /nfs/dbraw/zinc/24/57/19/565245719.db2.gz VAAXWPPQVSQKQW-AWEZNQCLSA-N 1 0 381.318 3.492 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCSc3ccc(Br)cc31)CC2 ZINC000160460226 565246710 /nfs/dbraw/zinc/24/67/10/565246710.db2.gz VVRDEGAHKMGQRR-OCCSQVGLSA-N 1 0 379.327 3.491 20 70 GGIDRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000160468124 565247144 /nfs/dbraw/zinc/24/71/44/565247144.db2.gz UJHUGOMVLSIFOO-AWEZNQCLSA-N 1 0 383.330 3.170 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](CCOC)Cc1cccc(Br)c1 ZINC000160521075 565248217 /nfs/dbraw/zinc/24/82/17/565248217.db2.gz ONWNCTMZBWJIIC-HNNXBMFYSA-N 1 0 385.346 3.278 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000160531148 565249732 /nfs/dbraw/zinc/24/97/32/565249732.db2.gz SUNHMQPHJPHGSM-OAHLLOKOSA-N 1 0 386.323 3.232 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC000160524875 565249743 /nfs/dbraw/zinc/24/97/43/565249743.db2.gz CNYCJIZAJWZJMH-MRXNPFEDSA-N 1 0 389.293 3.462 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1Br ZINC000160565026 565250273 /nfs/dbraw/zinc/25/02/73/565250273.db2.gz WKGOVFWXQVFHPK-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1Br ZINC000160565321 565250286 /nfs/dbraw/zinc/25/02/86/565250286.db2.gz WKGOVFWXQVFHPK-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO COCCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000160555998 565250442 /nfs/dbraw/zinc/25/04/42/565250442.db2.gz USADDHPWFXITPN-CYBMUJFWSA-N 1 0 397.235 3.185 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Br ZINC000160594483 565251470 /nfs/dbraw/zinc/25/14/70/565251470.db2.gz NFPKMLINJRYJSC-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)C1 ZINC000160587300 565251850 /nfs/dbraw/zinc/25/18/50/565251850.db2.gz IGWYATPIDVUTQF-CYBMUJFWSA-N 1 0 392.322 3.429 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)C1 ZINC000160663748 565255267 /nfs/dbraw/zinc/25/52/67/565255267.db2.gz YVPRPWGJZIUZON-CRAIPNDOSA-N 1 0 389.293 3.390 20 70 GGIDRO O=C(CSc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160682733 565255272 /nfs/dbraw/zinc/25/52/72/565255272.db2.gz BBKAQCHTRSLVDB-IAGOWNOFSA-N 1 0 382.957 3.316 20 70 GGIDRO O=C(CSc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160682486 565255363 /nfs/dbraw/zinc/25/53/63/565255363.db2.gz BBKAQCHTRSLVDB-SJORKVTESA-N 1 0 382.957 3.316 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000160677787 565255716 /nfs/dbraw/zinc/25/57/16/565255716.db2.gz NQBZQBMOLAPBQX-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000160677509 565256015 /nfs/dbraw/zinc/25/60/15/565256015.db2.gz NQBZQBMOLAPBQX-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841562 565262047 /nfs/dbraw/zinc/26/20/47/565262047.db2.gz NIQFRCXITWZAKD-FRRDWIJNSA-N 1 0 381.314 3.496 20 70 GGIDRO CC(C)NC(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000160938481 565265786 /nfs/dbraw/zinc/26/57/86/565265786.db2.gz QUIUGRODGRLQJT-KRWDZBQOSA-N 1 0 376.298 3.242 20 70 GGIDRO COc1ccc(Br)c(CC(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000160976410 565266487 /nfs/dbraw/zinc/26/64/87/565266487.db2.gz QMDNEZWVFBZQFJ-UHFFFAOYSA-N 1 0 378.270 3.096 20 70 GGIDRO [NH3+]CCC1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000160958545 565266800 /nfs/dbraw/zinc/26/68/00/565266800.db2.gz DJAFAQZXKWAQEC-UHFFFAOYSA-N 1 0 390.119 3.413 20 70 GGIDRO CC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1[NH3+] ZINC000160986078 565267689 /nfs/dbraw/zinc/26/76/89/565267689.db2.gz LISVPAVQGLVPAW-ZANVPECISA-N 1 0 390.119 3.411 20 70 GGIDRO O=C(c1cc(Br)ccc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160994675 565267910 /nfs/dbraw/zinc/26/79/10/565267910.db2.gz CNMUJYKIGQRENG-MNOVXSKESA-N 1 0 388.103 3.178 20 70 GGIDRO CC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cnn(C)c1 ZINC000161030884 565268596 /nfs/dbraw/zinc/26/85/96/565268596.db2.gz YKYOXGFUZKXOLR-QGZVFWFLSA-N 1 0 393.329 3.272 20 70 GGIDRO CC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCOC1 ZINC000161039048 565269820 /nfs/dbraw/zinc/26/98/20/565269820.db2.gz PIUSIIUDAGGRMT-RDJZCZTQSA-N 1 0 383.330 3.202 20 70 GGIDRO COc1cc(OC)c(NC(=O)N(CC[NH+](C)C)C(C)C)cc1Br ZINC000161035939 565269934 /nfs/dbraw/zinc/26/99/34/565269934.db2.gz PNLXIHLCSPKMIY-UHFFFAOYSA-N 1 0 388.306 3.270 20 70 GGIDRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000161032577 565270536 /nfs/dbraw/zinc/27/05/36/565270536.db2.gz CBLLODNRZJITRJ-CYBMUJFWSA-N 1 0 388.269 3.154 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000161072705 565271661 /nfs/dbraw/zinc/27/16/61/565271661.db2.gz XDNKUOWOJDTINB-LBPRGKRZSA-N 1 0 398.301 3.168 20 70 GGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000161091906 565272479 /nfs/dbraw/zinc/27/24/79/565272479.db2.gz LFNUOSWPNUPPQI-ZIAGYGMSSA-N 1 0 393.329 3.352 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC000161087576 565272604 /nfs/dbraw/zinc/27/26/04/565272604.db2.gz PYJWJZCXNQERTL-LBPRGKRZSA-N 1 0 398.301 3.168 20 70 GGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161101840 565272676 /nfs/dbraw/zinc/27/26/76/565272676.db2.gz DDTQSTRYZLQTIO-NSHDSACASA-N 1 0 388.306 3.318 20 70 GGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000161115606 565273354 /nfs/dbraw/zinc/27/33/54/565273354.db2.gz BYGAJWKEMKXIIA-CVEARBPZSA-N 1 0 377.282 3.367 20 70 GGIDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161109470 565273394 /nfs/dbraw/zinc/27/33/94/565273394.db2.gz NBUGWWMHNXAMBM-ZMLRMANQSA-N 1 0 375.694 3.256 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161168470 565276209 /nfs/dbraw/zinc/27/62/09/565276209.db2.gz XFVUQNZHNQJIPC-CQSZACIVSA-N 1 0 383.330 3.094 20 70 GGIDRO O[C@H](C1CC[NH+](CCOc2cccc(Br)c2)CC1)C(F)(F)F ZINC000161236425 565277755 /nfs/dbraw/zinc/27/77/55/565277755.db2.gz GWAHKZGPPIFXDG-CQSZACIVSA-N 1 0 382.220 3.463 20 70 GGIDRO CC[NH+]1CCC(N(C)C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000161232620 565277886 /nfs/dbraw/zinc/27/78/86/565277886.db2.gz YWPUOEYVLLFRAN-UHFFFAOYSA-N 1 0 378.314 3.416 20 70 GGIDRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC1CC[NH+](C2CC2)CC1 ZINC000161246418 565277906 /nfs/dbraw/zinc/27/79/06/565277906.db2.gz VWTZTPYWQZJSKX-UHFFFAOYSA-N 1 0 376.298 3.216 20 70 GGIDRO O[C@@H](C1CC[NH+](CCOc2cccc(Br)c2)CC1)C(F)(F)F ZINC000161236307 565278068 /nfs/dbraw/zinc/27/80/68/565278068.db2.gz GWAHKZGPPIFXDG-AWEZNQCLSA-N 1 0 382.220 3.463 20 70 GGIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000161220938 565278239 /nfs/dbraw/zinc/27/82/39/565278239.db2.gz FEUHJHVECBFYKZ-UHFFFAOYSA-N 1 0 391.265 3.169 20 70 GGIDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161345036 565281914 /nfs/dbraw/zinc/28/19/14/565281914.db2.gz VABLESOGFOUFDE-UHFFFAOYSA-N 1 0 390.709 3.335 20 70 GGIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000161357872 565283232 /nfs/dbraw/zinc/28/32/32/565283232.db2.gz OWILWPRAZOHJTA-GFCCVEGCSA-N 1 0 382.327 3.202 20 70 GGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000161461481 565285111 /nfs/dbraw/zinc/28/51/11/565285111.db2.gz SSMSBZOJHDNJFZ-RQJHMYQMSA-N 1 0 382.121 3.273 20 70 GGIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC000216749077 565897340 /nfs/dbraw/zinc/89/73/40/565897340.db2.gz JLGRFDFAWHAYNK-GDBMZVCRSA-N 1 0 385.346 3.465 20 70 GGIDRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC000216749118 565897473 /nfs/dbraw/zinc/89/74/73/565897473.db2.gz JLGRFDFAWHAYNK-GOEBONIOSA-N 1 0 385.346 3.465 20 70 GGIDRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159384564 565204720 /nfs/dbraw/zinc/20/47/20/565204720.db2.gz RWFHZCQXTYAPGS-CYBMUJFWSA-N 1 0 383.945 3.095 20 70 GGIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159430749 565206735 /nfs/dbraw/zinc/20/67/35/565206735.db2.gz WEFUJNCROGOORI-CYBMUJFWSA-N 1 0 385.580 3.165 20 70 GGIDRO O=C(Nc1ccc(Br)nc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159473926 565207712 /nfs/dbraw/zinc/20/77/12/565207712.db2.gz LOBLIURWRSIYTI-WFASDCNBSA-N 1 0 379.302 3.325 20 70 GGIDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cncs2)c1 ZINC000159601996 565211741 /nfs/dbraw/zinc/21/17/41/565211741.db2.gz JPESYWCLWJBQPM-NSHDSACASA-N 1 0 398.326 3.385 20 70 GGIDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C(C2CC2)C2CC2)c1 ZINC000159600082 565211750 /nfs/dbraw/zinc/21/17/50/565211750.db2.gz IRVNXQCQMGALSD-UHFFFAOYSA-N 1 0 381.314 3.356 20 70 GGIDRO Cn1ccnc1Sc1ncc(C(=O)NCC2([NH3+])CCCCC2)cc1Cl ZINC000159578609 565211777 /nfs/dbraw/zinc/21/17/77/565211777.db2.gz BDAGLRJRQHACDZ-UHFFFAOYSA-N 1 0 379.917 3.011 20 70 GGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000159632842 565213738 /nfs/dbraw/zinc/21/37/38/565213738.db2.gz GPNGUJNEKKACOU-ZBFHGGJFSA-N 1 0 380.535 3.304 20 70 GGIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159657619 565214195 /nfs/dbraw/zinc/21/41/95/565214195.db2.gz HVPUMFWKCSMOGE-MFKMUULPSA-N 1 0 377.373 3.126 20 70 GGIDRO C[N@H+](CC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700256 565215466 /nfs/dbraw/zinc/21/54/66/565215466.db2.gz KRZFDEBCEBXFDC-HUUCEWRRSA-N 1 0 379.595 3.165 20 70 GGIDRO COc1ccc(Br)cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159716415 565216278 /nfs/dbraw/zinc/21/62/78/565216278.db2.gz PFZOSQCKJYWRLJ-UHFFFAOYSA-N 1 0 377.282 3.449 20 70 GGIDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 ZINC000159741103 565216335 /nfs/dbraw/zinc/21/63/35/565216335.db2.gz MAFKEZGSWSFUKN-QGZVFWFLSA-N 1 0 380.535 3.010 20 70 GGIDRO CN(c1ccc(NC(=O)C[C@@H]2CSCCS2)cc1)C1CC[NH+](C)CC1 ZINC000159754839 565218064 /nfs/dbraw/zinc/21/80/64/565218064.db2.gz FZCWVMNPVPUEPG-GOSISDBHSA-N 1 0 379.595 3.394 20 70 GGIDRO COc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Br ZINC000159775807 565218269 /nfs/dbraw/zinc/21/82/69/565218269.db2.gz BFKJDMGUTPEZHD-UHFFFAOYSA-N 1 0 395.341 3.381 20 70 GGIDRO C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000159828485 565219768 /nfs/dbraw/zinc/21/97/68/565219768.db2.gz HTSSJECCSBGHBI-UHFFFAOYSA-N 1 0 382.295 3.454 20 70 GGIDRO Cc1c(I)cccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159838751 565220366 /nfs/dbraw/zinc/22/03/66/565220366.db2.gz TWUOXVVYQCCKBO-UHFFFAOYSA-N 1 0 398.288 3.204 20 70 GGIDRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159838286 565220583 /nfs/dbraw/zinc/22/05/83/565220583.db2.gz WYHGLHWZWXWNST-ZDUSSCGKSA-N 1 0 381.314 3.207 20 70 GGIDRO O=C(CSCc1ccc(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159992518 565226010 /nfs/dbraw/zinc/22/60/10/565226010.db2.gz ZHUPUKQTWYFJFL-OKILXGFUSA-N 1 0 387.318 3.174 20 70 GGIDRO CN1CCc2nc(NC(=O)Cc3ccc(Br)c(F)c3)sc2C1 ZINC000160000780 565226443 /nfs/dbraw/zinc/22/64/43/565226443.db2.gz HBORMCLYORNJAN-UHFFFAOYSA-N 1 0 384.274 3.214 20 70 GGIDRO CC(C)([NH3+])CNC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000159999331 565226536 /nfs/dbraw/zinc/22/65/36/565226536.db2.gz WVQFPWVWZDUMLD-UHFFFAOYSA-N 1 0 390.075 3.425 20 70 GGIDRO CC(C)([NH3+])CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000160040966 565228932 /nfs/dbraw/zinc/22/89/32/565228932.db2.gz KDVWQDHXVOJIRO-UHFFFAOYSA-N 1 0 382.233 3.243 20 70 GGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000160090336 565230068 /nfs/dbraw/zinc/23/00/68/565230068.db2.gz RKXDEEWCSIGETO-DYVFJYSZSA-N 1 0 390.325 3.416 20 70 GGIDRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160110301 565231547 /nfs/dbraw/zinc/23/15/47/565231547.db2.gz ONNQPYFQNCPYJV-HNNXBMFYSA-N 1 0 376.444 3.344 20 70 GGIDRO O=S(=O)(Cc1c(F)cccc1F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160135158 565232346 /nfs/dbraw/zinc/23/23/46/565232346.db2.gz ZRWJETJSMZMOHZ-INIZCTEOSA-N 1 0 386.489 3.283 20 70 GGIDRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160140019 565232994 /nfs/dbraw/zinc/23/29/94/565232994.db2.gz ZBVDDNBMRKMQIK-HNNXBMFYSA-N 1 0 387.343 3.088 20 70 GGIDRO [NH3+][C@@H]1CCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 ZINC000160234803 565237631 /nfs/dbraw/zinc/23/76/31/565237631.db2.gz QPBUXEMROLMIHB-RHSMWYFYSA-N 1 0 393.256 3.268 20 70 GGIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 ZINC000160234671 565237693 /nfs/dbraw/zinc/23/76/93/565237693.db2.gz QPBUXEMROLMIHB-PBHICJAKSA-N 1 0 393.256 3.268 20 70 GGIDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160239296 565237745 /nfs/dbraw/zinc/23/77/45/565237745.db2.gz LRKHRATXPWGTPF-UHFFFAOYSA-N 1 0 394.317 3.156 20 70 GGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000160280157 565238489 /nfs/dbraw/zinc/23/84/89/565238489.db2.gz ZXHPZLHNSNHWOI-CYBMUJFWSA-N 1 0 379.254 3.184 20 70 GGIDRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000160260375 565238966 /nfs/dbraw/zinc/23/89/66/565238966.db2.gz SDIIJYCEFJCEJK-QGZVFWFLSA-N 1 0 399.377 3.440 20 70 GGIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160288498 565239882 /nfs/dbraw/zinc/23/98/82/565239882.db2.gz LBJDPUUVLRGXJA-HUUCEWRRSA-N 1 0 399.377 3.297 20 70 GGIDRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160367104 565241293 /nfs/dbraw/zinc/24/12/93/565241293.db2.gz CXAMXWUYEOBAHO-MSOLQXFVSA-N 1 0 382.957 3.316 20 70 GGIDRO CCCOc1c(Br)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000160354314 565241659 /nfs/dbraw/zinc/24/16/59/565241659.db2.gz YNTVSECOFCNOFP-OKILXGFUSA-N 1 0 397.313 3.213 20 70 GGIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160397716 565243684 /nfs/dbraw/zinc/24/36/84/565243684.db2.gz GOTLPNKFZJPNCX-OAHLLOKOSA-N 1 0 399.377 3.441 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3c(Br)cccc31)CC2 ZINC000160409153 565244003 /nfs/dbraw/zinc/24/40/03/565244003.db2.gz UWYNORLCFMXAGK-WFASDCNBSA-N 1 0 377.286 3.167 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000160431930 565245174 /nfs/dbraw/zinc/24/51/74/565245174.db2.gz ZSDABPFHLOGCFJ-UHFFFAOYSA-N 1 0 386.945 3.060 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCSc3ccc(Br)cc31)CC2 ZINC000160460356 565246995 /nfs/dbraw/zinc/24/69/95/565246995.db2.gz VVRDEGAHKMGQRR-JSGCOSHPSA-N 1 0 379.327 3.491 20 70 GGIDRO Cc1c(Br)cccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160525723 565249027 /nfs/dbraw/zinc/24/90/27/565249027.db2.gz WYNWSSFQZGRYQX-ROUUACIJSA-N 1 0 395.341 3.255 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)C1 ZINC000160542216 565249513 /nfs/dbraw/zinc/24/95/13/565249513.db2.gz KCOFWGOYGGQAEL-GFCCVEGCSA-N 1 0 379.291 3.102 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)C1 ZINC000160568701 565250237 /nfs/dbraw/zinc/25/02/37/565250237.db2.gz KGMMVFCAAWGHJO-MRXNPFEDSA-N 1 0 389.293 3.462 20 70 GGIDRO O=C(CCCc1cc(Cl)sc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160556797 565250654 /nfs/dbraw/zinc/25/06/54/565250654.db2.gz VQPJNGBNFOLHKK-CYBMUJFWSA-N 1 0 379.353 3.341 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000160594382 565251465 /nfs/dbraw/zinc/25/14/65/565251465.db2.gz NFPKMLINJRYJSC-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160601801 565252770 /nfs/dbraw/zinc/25/27/70/565252770.db2.gz VUTHYCCAVXMPKQ-UHFFFAOYSA-N 1 0 375.420 3.103 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000160604859 565252877 /nfs/dbraw/zinc/25/28/77/565252877.db2.gz LRJYBOFIQJZTFZ-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1F ZINC000160629615 565254185 /nfs/dbraw/zinc/25/41/85/565254185.db2.gz YMZSSNLPQVNTMK-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160642023 565254499 /nfs/dbraw/zinc/25/44/99/565254499.db2.gz MQSFSTPSNTUXGK-CYBMUJFWSA-N 1 0 399.969 3.031 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000160674356 565255073 /nfs/dbraw/zinc/25/50/73/565255073.db2.gz JIERZQMRZCKKSG-UONOGXRCSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(Cc1cc(Cl)ccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160655048 565255155 /nfs/dbraw/zinc/25/51/55/565255155.db2.gz ZTQDIMBOXHBRPB-QZTJIDSGSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000160677915 565255976 /nfs/dbraw/zinc/25/59/76/565255976.db2.gz NQBZQBMOLAPBQX-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000160786278 565259034 /nfs/dbraw/zinc/25/90/34/565259034.db2.gz BXPLQIUQDIKPAG-LBPRGKRZSA-N 1 0 382.251 3.102 20 70 GGIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160817680 565261048 /nfs/dbraw/zinc/26/10/48/565261048.db2.gz OSZDNACENHAYNV-CQSZACIVSA-N 1 0 383.330 3.191 20 70 GGIDRO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841428 565261927 /nfs/dbraw/zinc/26/19/27/565261927.db2.gz NIQFRCXITWZAKD-AVGNSLFASA-N 1 0 381.314 3.496 20 70 GGIDRO C[NH+](C)C1CCN(CCNC(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000160914406 565264026 /nfs/dbraw/zinc/26/40/26/565264026.db2.gz JWHCPRQSBLZQDW-UHFFFAOYSA-N 1 0 379.957 3.239 20 70 GGIDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000160916115 565264390 /nfs/dbraw/zinc/26/43/90/565264390.db2.gz XULHQIHRQYYWOE-XJKSGUPXSA-N 1 0 378.314 3.241 20 70 GGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000160960923 565266221 /nfs/dbraw/zinc/26/62/21/565266221.db2.gz UYDWFUWBMOYYLF-GOSISDBHSA-N 1 0 389.293 3.351 20 70 GGIDRO CC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCOC1 ZINC000161039177 565270145 /nfs/dbraw/zinc/27/01/45/565270145.db2.gz PIUSIIUDAGGRMT-DOTOQJQBSA-N 1 0 383.330 3.202 20 70 GGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000161091791 565272360 /nfs/dbraw/zinc/27/23/60/565272360.db2.gz LFNUOSWPNUPPQI-KBPBESRZSA-N 1 0 393.329 3.352 20 70 GGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161101722 565272372 /nfs/dbraw/zinc/27/23/72/565272372.db2.gz DDTQSTRYZLQTIO-LLVKDONJSA-N 1 0 388.306 3.318 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000161132801 565275023 /nfs/dbraw/zinc/27/50/23/565275023.db2.gz XGXFKXFMHSPVQN-UHFFFAOYSA-N 1 0 383.330 3.426 20 70 GGIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000161138709 565275407 /nfs/dbraw/zinc/27/54/07/565275407.db2.gz BIWBQLZFJUYEMU-UHFFFAOYSA-N 1 0 389.721 3.329 20 70 GGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000161295944 565280148 /nfs/dbraw/zinc/28/01/48/565280148.db2.gz SNUYQABAPRMXRY-RYUDHWBXSA-N 1 0 375.694 3.258 20 70 GGIDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C(C)(C)O1 ZINC000161294166 565280336 /nfs/dbraw/zinc/28/03/36/565280336.db2.gz SGHWLJWYUSLQGU-CQSZACIVSA-N 1 0 390.343 3.159 20 70 GGIDRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161336439 565281256 /nfs/dbraw/zinc/28/12/56/565281256.db2.gz XTWUJBCALKBFNH-UKRRQHHQSA-N 1 0 383.305 3.464 20 70 GGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000161357737 565283136 /nfs/dbraw/zinc/28/31/36/565283136.db2.gz OWILWPRAZOHJTA-LBPRGKRZSA-N 1 0 382.327 3.202 20 70 GGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630120 719112761 /nfs/dbraw/zinc/11/27/61/719112761.db2.gz VLSXKVJJLSOCHQ-PKOBYXMFSA-N 1 0 389.496 3.149 20 70 GGIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159416347 565205803 /nfs/dbraw/zinc/20/58/03/565205803.db2.gz DKBQFYZYRMCYJU-CQSZACIVSA-N 1 0 385.580 3.165 20 70 GGIDRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000159406255 565205976 /nfs/dbraw/zinc/20/59/76/565205976.db2.gz UIMGKOVXWPXJAB-CYBMUJFWSA-N 1 0 386.323 3.334 20 70 GGIDRO Cc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1Cl ZINC000159455856 565206662 /nfs/dbraw/zinc/20/66/62/565206662.db2.gz CBPVRPIOMJNRCG-CABCVRRESA-N 1 0 386.323 3.195 20 70 GGIDRO Cc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1Cl ZINC000159455988 565207061 /nfs/dbraw/zinc/20/70/61/565207061.db2.gz CBPVRPIOMJNRCG-GJZGRUSLSA-N 1 0 386.323 3.195 20 70 GGIDRO O=C(Nc1cccnc1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159504970 565207560 /nfs/dbraw/zinc/20/75/60/565207560.db2.gz BDMOUZSADRYCML-SWLSCSKDSA-N 1 0 379.302 3.325 20 70 GGIDRO O=C(Nc1cccnc1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159504836 565207575 /nfs/dbraw/zinc/20/75/75/565207575.db2.gz BDMOUZSADRYCML-DOMZBBRYSA-N 1 0 379.302 3.325 20 70 GGIDRO [NH3+]C1(CNC(=O)c2cc(I)ccc2Cl)CCCCC1 ZINC000159550618 565210367 /nfs/dbraw/zinc/21/03/67/565210367.db2.gz UVQJDNDXROVSHV-UHFFFAOYSA-N 1 0 392.668 3.336 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000159566523 565210531 /nfs/dbraw/zinc/21/05/31/565210531.db2.gz JHACPWSHRZAIDI-UHFFFAOYSA-N 1 0 378.567 3.460 20 70 GGIDRO C[N@H+](CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCSC1 ZINC000159599458 565211263 /nfs/dbraw/zinc/21/12/63/565211263.db2.gz ZGPABIJXSQVVCW-OAHLLOKOSA-N 1 0 383.355 3.034 20 70 GGIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000159665033 565214174 /nfs/dbraw/zinc/21/41/74/565214174.db2.gz MHTCZUWESUJUOD-OAHLLOKOSA-N 1 0 382.961 3.451 20 70 GGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000159632572 565214238 /nfs/dbraw/zinc/21/42/38/565214238.db2.gz GPNGUJNEKKACOU-GDBMZVCRSA-N 1 0 380.535 3.304 20 70 GGIDRO CN(c1ccc(NC(=O)C[C@H]2CSCCS2)cc1)C1CC[NH+](C)CC1 ZINC000159754985 565218025 /nfs/dbraw/zinc/21/80/25/565218025.db2.gz FZCWVMNPVPUEPG-SFHVURJKSA-N 1 0 379.595 3.394 20 70 GGIDRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159821942 565220690 /nfs/dbraw/zinc/22/06/90/565220690.db2.gz JNVSFUREHNLOFO-CYBMUJFWSA-N 1 0 381.314 3.207 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000159866161 565221403 /nfs/dbraw/zinc/22/14/03/565221403.db2.gz UIFINQHJELZMHG-UHFFFAOYSA-N 1 0 380.330 3.218 20 70 GGIDRO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159848259 565221530 /nfs/dbraw/zinc/22/15/30/565221530.db2.gz QMNOGFLLPTWZLR-UHFFFAOYSA-N 1 0 399.713 3.004 20 70 GGIDRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000159880856 565222681 /nfs/dbraw/zinc/22/26/81/565222681.db2.gz TVGONHYLBXWPEZ-CABCVRRESA-N 1 0 378.563 3.249 20 70 GGIDRO Cc1cc(I)cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1C ZINC000159916013 565223440 /nfs/dbraw/zinc/22/34/40/565223440.db2.gz QWKVLUNUZIOBDC-AWEZNQCLSA-N 1 0 386.277 3.074 20 70 GGIDRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1CC[NH+](C)CC1 ZINC000159936317 565225155 /nfs/dbraw/zinc/22/51/55/565225155.db2.gz ZSUJVAHLRGVWKV-SUMWQHHRSA-N 1 0 381.314 3.079 20 70 GGIDRO FC(F)(F)CN1CCC(CC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000159966906 565226646 /nfs/dbraw/zinc/22/66/46/565226646.db2.gz KSXQARPJDNLKKQ-UHFFFAOYSA-N 1 0 375.401 3.267 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000160003787 565227641 /nfs/dbraw/zinc/22/76/41/565227641.db2.gz HWNSCUDMRNCDIG-ZDUSSCGKSA-N 1 0 386.309 3.256 20 70 GGIDRO CC(C)([NH3+])CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000160062961 565228608 /nfs/dbraw/zinc/22/86/08/565228608.db2.gz QPBNTNMMWOXDKQ-INIZCTEOSA-N 1 0 377.282 3.423 20 70 GGIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000160047449 565228723 /nfs/dbraw/zinc/22/87/23/565228723.db2.gz DYQPUNOTVNLXIW-WBMJQRKESA-N 1 0 388.339 3.442 20 70 GGIDRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160173268 565233686 /nfs/dbraw/zinc/23/36/86/565233686.db2.gz VQBSAGDQKKTKII-GFCCVEGCSA-N 1 0 393.372 3.150 20 70 GGIDRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160165164 565233789 /nfs/dbraw/zinc/23/37/89/565233789.db2.gz URMXPADBVHNWJJ-HNNXBMFYSA-N 1 0 387.343 3.088 20 70 GGIDRO O=C(Cc1csc2ccc(Cl)cc12)N1CC[NH+](C2CCOCC2)CC1 ZINC000160252733 565237601 /nfs/dbraw/zinc/23/76/01/565237601.db2.gz JQXBATHEVXECRO-UHFFFAOYSA-N 1 0 378.925 3.420 20 70 GGIDRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160367373 565241251 /nfs/dbraw/zinc/24/12/51/565241251.db2.gz CXAMXWUYEOBAHO-QZTJIDSGSA-N 1 0 382.957 3.316 20 70 GGIDRO O=C(CSc1cc(Cl)ccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160335582 565241820 /nfs/dbraw/zinc/24/18/20/565241820.db2.gz MWLUAZMQPLKSGG-CYBMUJFWSA-N 1 0 377.337 3.049 20 70 GGIDRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160367285 565241876 /nfs/dbraw/zinc/24/18/76/565241876.db2.gz CXAMXWUYEOBAHO-ROUUACIJSA-N 1 0 382.957 3.316 20 70 GGIDRO COc1cccc([C@H](CNC(=O)c2ccc(C)nc2Br)[NH+](C)C)c1 ZINC000160374017 565242512 /nfs/dbraw/zinc/24/25/12/565242512.db2.gz WACRERRANQHGPV-INIZCTEOSA-N 1 0 392.297 3.194 20 70 GGIDRO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000160370718 565242695 /nfs/dbraw/zinc/24/26/95/565242695.db2.gz UZROCNQDRSLCQD-OAHLLOKOSA-N 1 0 380.261 3.324 20 70 GGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160492218 565248202 /nfs/dbraw/zinc/24/82/02/565248202.db2.gz GSLVHHYARSJNOA-OAHLLOKOSA-N 1 0 392.345 3.455 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000160514680 565248404 /nfs/dbraw/zinc/24/84/04/565248404.db2.gz KXYILIAXRVQPBY-ZFWWWQNUSA-N 1 0 377.286 3.167 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000160531038 565248960 /nfs/dbraw/zinc/24/89/60/565248960.db2.gz SUNHMQPHJPHGSM-HNNXBMFYSA-N 1 0 386.323 3.232 20 70 GGIDRO COCCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000160555854 565250257 /nfs/dbraw/zinc/25/02/57/565250257.db2.gz USADDHPWFXITPN-ZDUSSCGKSA-N 1 0 397.235 3.185 20 70 GGIDRO O=C(Cc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160553586 565250619 /nfs/dbraw/zinc/25/06/19/565250619.db2.gz OGHGJSLHHIANBS-MSOLQXFVSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000160564271 565250671 /nfs/dbraw/zinc/25/06/71/565250671.db2.gz QDWBOEJQIXDBGV-QWHCGFSZSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000160564152 565250719 /nfs/dbraw/zinc/25/07/19/565250719.db2.gz QDWBOEJQIXDBGV-CHWSQXEVSA-N 1 0 387.343 3.008 20 70 GGIDRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000160572889 565251651 /nfs/dbraw/zinc/25/16/51/565251651.db2.gz KUKCDQPENCDWFM-CQSZACIVSA-N 1 0 381.314 3.260 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000160604734 565252560 /nfs/dbraw/zinc/25/25/60/565252560.db2.gz LRJYBOFIQJZTFZ-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(Br)c1 ZINC000160672102 565255207 /nfs/dbraw/zinc/25/52/07/565255207.db2.gz HCJGHKOZSVZDQS-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(Cc1cc(Cl)ccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160655173 565255298 /nfs/dbraw/zinc/25/52/98/565255298.db2.gz ZTQDIMBOXHBRPB-ZWKOTPCHSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(Br)c1 ZINC000160671962 565256081 /nfs/dbraw/zinc/25/60/81/565256081.db2.gz HCJGHKOZSVZDQS-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000160752998 565257983 /nfs/dbraw/zinc/25/79/83/565257983.db2.gz GKXZUBMQQXTGQE-CYBMUJFWSA-N 1 0 379.254 3.055 20 70 GGIDRO O=C(C[NH2+]C1CCN(CC(F)(F)F)CC1)Nc1ccc(Br)cc1 ZINC000160778403 565258866 /nfs/dbraw/zinc/25/88/66/565258866.db2.gz HLQOGHLJLHYXFE-UHFFFAOYSA-N 1 0 394.235 3.004 20 70 GGIDRO CCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000160877492 565262766 /nfs/dbraw/zinc/26/27/66/565262766.db2.gz PVOJAYSAKATUPN-ZIAGYGMSSA-N 1 0 391.313 3.197 20 70 GGIDRO CCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000160877254 565263063 /nfs/dbraw/zinc/26/30/63/565263063.db2.gz PVOJAYSAKATUPN-UONOGXRCSA-N 1 0 391.313 3.197 20 70 GGIDRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000160927560 565264061 /nfs/dbraw/zinc/26/40/61/565264061.db2.gz PQRMDIMKMDKKCN-ZIAGYGMSSA-N 1 0 399.329 3.175 20 70 GGIDRO C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923241 565264138 /nfs/dbraw/zinc/26/41/38/565264138.db2.gz QHKSNUXMSWUDJN-GJZGRUSLSA-N 1 0 395.341 3.264 20 70 GGIDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160956796 565265768 /nfs/dbraw/zinc/26/57/68/565265768.db2.gz YVVWJTASPMWRHX-NXEZZACHSA-N 1 0 390.119 3.411 20 70 GGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Br)s2)cc1 ZINC000160965355 565266157 /nfs/dbraw/zinc/26/61/57/565266157.db2.gz HQSLAWXRIZVMRV-LLVKDONJSA-N 1 0 383.311 3.486 20 70 GGIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Cl)c1Cl ZINC000160962408 565266465 /nfs/dbraw/zinc/26/64/65/565266465.db2.gz YFRLMBPBRKSRIA-NSHDSACASA-N 1 0 380.275 3.059 20 70 GGIDRO CC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1[NH3+] ZINC000160986333 565268055 /nfs/dbraw/zinc/26/80/55/565268055.db2.gz LISVPAVQGLVPAW-TVQRCGJNSA-N 1 0 390.119 3.411 20 70 GGIDRO CCCC[N@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161029559 565268604 /nfs/dbraw/zinc/26/86/04/565268604.db2.gz HLSZZLCCVXPNMD-UHFFFAOYSA-N 1 0 388.306 3.320 20 70 GGIDRO CC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cnn(C)c1 ZINC000161030758 565269109 /nfs/dbraw/zinc/26/91/09/565269109.db2.gz YKYOXGFUZKXOLR-KRWDZBQOSA-N 1 0 393.329 3.272 20 70 GGIDRO CC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCOC1 ZINC000161038813 565269754 /nfs/dbraw/zinc/26/97/54/565269754.db2.gz PIUSIIUDAGGRMT-WBVHZDCISA-N 1 0 383.330 3.202 20 70 GGIDRO C[C@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000161032442 565269786 /nfs/dbraw/zinc/26/97/86/565269786.db2.gz CBLLODNRZJITRJ-ZDUSSCGKSA-N 1 0 388.269 3.154 20 70 GGIDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000161036143 565270186 /nfs/dbraw/zinc/27/01/86/565270186.db2.gz WPPJDTXKGHQRAC-CQSZACIVSA-N 1 0 393.329 3.365 20 70 GGIDRO C[NH+]1CCC(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000161075347 565271478 /nfs/dbraw/zinc/27/14/78/565271478.db2.gz JTUIOAHGPRYDQS-UHFFFAOYSA-N 1 0 384.263 3.384 20 70 GGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000161091659 565273004 /nfs/dbraw/zinc/27/30/04/565273004.db2.gz LFNUOSWPNUPPQI-KGLIPLIRSA-N 1 0 393.329 3.352 20 70 GGIDRO CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000161109381 565273378 /nfs/dbraw/zinc/27/33/78/565273378.db2.gz HMRMANHJTKRQOU-UHFFFAOYSA-N 1 0 386.290 3.072 20 70 GGIDRO COc1ccc(Br)c(CC(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000161147659 565275159 /nfs/dbraw/zinc/27/51/59/565275159.db2.gz IEZNKNJKSTWRMB-UHFFFAOYSA-N 1 0 395.297 3.184 20 70 GGIDRO CC(C)N(CC[NH+](C)C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000161185702 565276878 /nfs/dbraw/zinc/27/68/78/565276878.db2.gz UDVOHSNPWMCXSD-UHFFFAOYSA-N 1 0 379.302 3.047 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161168608 565276901 /nfs/dbraw/zinc/27/69/01/565276901.db2.gz XFVUQNZHNQJIPC-AWEZNQCLSA-N 1 0 383.330 3.094 20 70 GGIDRO CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1OC ZINC000161244373 565277352 /nfs/dbraw/zinc/27/73/52/565277352.db2.gz DJFLIJYTJSPVEK-ZDUSSCGKSA-N 1 0 385.302 3.071 20 70 GGIDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1Br)c1cccs1 ZINC000161275159 565279144 /nfs/dbraw/zinc/27/91/44/565279144.db2.gz WGLNBRDEAHBDRE-CYBMUJFWSA-N 1 0 383.311 3.309 20 70 GGIDRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161264851 565279566 /nfs/dbraw/zinc/27/95/66/565279566.db2.gz QXFAGGDNRVTTQM-BLLLJJGKSA-N 1 0 398.322 3.146 20 70 GGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000161295834 565280087 /nfs/dbraw/zinc/28/00/87/565280087.db2.gz SNUYQABAPRMXRY-NWDGAFQWSA-N 1 0 375.694 3.258 20 70 GGIDRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161336194 565281125 /nfs/dbraw/zinc/28/11/25/565281125.db2.gz XTWUJBCALKBFNH-HIFRSBDPSA-N 1 0 383.305 3.464 20 70 GGIDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000161324755 565281162 /nfs/dbraw/zinc/28/11/62/565281162.db2.gz QWMDRMQGNGOQBZ-XGNXJENSSA-N 1 0 397.313 3.318 20 70 GGIDRO Cc1cc(I)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000161339651 565281183 /nfs/dbraw/zinc/28/11/83/565281183.db2.gz SHTVNFZIZUWQHG-OAHLLOKOSA-N 1 0 398.288 3.218 20 70 GGIDRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161336318 565281563 /nfs/dbraw/zinc/28/15/63/565281563.db2.gz XTWUJBCALKBFNH-DZGCQCFKSA-N 1 0 383.305 3.464 20 70 GGIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161350770 565281635 /nfs/dbraw/zinc/28/16/35/565281635.db2.gz CZYVNRMDFFENOW-OAHLLOKOSA-N 1 0 385.371 3.458 20 70 GGIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000161359501 565282664 /nfs/dbraw/zinc/28/26/64/565282664.db2.gz PMKHQHVENLNHNV-ZLPCBKJTSA-N 1 0 394.357 3.312 20 70 GGIDRO CC(C)OCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380564 565204658 /nfs/dbraw/zinc/20/46/58/565204658.db2.gz DJRGWDYPBRXUTQ-AWEZNQCLSA-N 1 0 384.318 3.310 20 70 GGIDRO Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455248 565207120 /nfs/dbraw/zinc/20/71/20/565207120.db2.gz HHPWCKHGFXKZFR-AWEZNQCLSA-N 1 0 383.539 3.005 20 70 GGIDRO O=C(Nc1cccnc1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159504706 565208075 /nfs/dbraw/zinc/20/80/75/565208075.db2.gz BDMOUZSADRYCML-IUODEOHRSA-N 1 0 379.302 3.325 20 70 GGIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000159570962 565210187 /nfs/dbraw/zinc/21/01/87/565210187.db2.gz SBIKURNMTWJTOB-NSHDSACASA-N 1 0 392.668 3.159 20 70 GGIDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(I)ccc1Cl ZINC000159579737 565211920 /nfs/dbraw/zinc/21/19/20/565211920.db2.gz XQRRLORPQDJOMW-UHFFFAOYSA-N 1 0 394.684 3.262 20 70 GGIDRO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159604041 565212536 /nfs/dbraw/zinc/21/25/36/565212536.db2.gz GBNZFZRQFBRSGO-PBHICJAKSA-N 1 0 376.298 3.499 20 70 GGIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159657205 565213856 /nfs/dbraw/zinc/21/38/56/565213856.db2.gz HVPUMFWKCSMOGE-GXFFZTMASA-N 1 0 377.373 3.126 20 70 GGIDRO CCC[NH+]1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000159750046 565216789 /nfs/dbraw/zinc/21/67/89/565216789.db2.gz SIJCDWKDVHHXTK-UHFFFAOYSA-N 1 0 391.313 3.239 20 70 GGIDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1Br ZINC000159920862 565224287 /nfs/dbraw/zinc/22/42/87/565224287.db2.gz ZHQRPUQNCANHSV-UHFFFAOYSA-N 1 0 389.297 3.157 20 70 GGIDRO CC(C)([NH3+])CNC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC000159932416 565225524 /nfs/dbraw/zinc/22/55/24/565225524.db2.gz PMSVFXFYZBKCFT-UHFFFAOYSA-N 1 0 377.282 3.495 20 70 GGIDRO CC(C)([NH3+])CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000160044381 565228894 /nfs/dbraw/zinc/22/88/94/565228894.db2.gz SBQLUBOFXXRJBY-INIZCTEOSA-N 1 0 377.282 3.423 20 70 GGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000160116789 565231531 /nfs/dbraw/zinc/23/15/31/565231531.db2.gz FLPHGHAIOPAWDK-OLZOCXBDSA-N 1 0 378.485 3.072 20 70 GGIDRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160125513 565231781 /nfs/dbraw/zinc/23/17/81/565231781.db2.gz YXETZIYCHDZBHM-LBPRGKRZSA-N 1 0 378.325 3.027 20 70 GGIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]([NH3+])CCSC)s2)cc1 ZINC000160131213 565232475 /nfs/dbraw/zinc/23/24/75/565232475.db2.gz KASSEQQMVWZXGU-XHDPSFHLSA-N 1 0 379.551 3.385 20 70 GGIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]([NH3+])CCSC)s2)cc1 ZINC000160131069 565233013 /nfs/dbraw/zinc/23/30/13/565233013.db2.gz KASSEQQMVWZXGU-IAQYHMDHSA-N 1 0 379.551 3.385 20 70 GGIDRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160160578 565234232 /nfs/dbraw/zinc/23/42/32/565234232.db2.gz WYDJETPAEHZYAB-HNNXBMFYSA-N 1 0 376.444 3.344 20 70 GGIDRO CC(C)[NH+]1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000160241752 565237356 /nfs/dbraw/zinc/23/73/56/565237356.db2.gz AXDMQQYLTPRRBI-UHFFFAOYSA-N 1 0 391.313 3.237 20 70 GGIDRO COCCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1 ZINC000160410260 565243793 /nfs/dbraw/zinc/24/37/93/565243793.db2.gz HZFNQVNTMPIILA-IAGOWNOFSA-N 1 0 393.329 3.421 20 70 GGIDRO COCCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1 ZINC000160409994 565243815 /nfs/dbraw/zinc/24/38/15/565243815.db2.gz HZFNQVNTMPIILA-SJORKVTESA-N 1 0 393.329 3.421 20 70 GGIDRO COCCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1 ZINC000160410370 565243951 /nfs/dbraw/zinc/24/39/51/565243951.db2.gz HZFNQVNTMPIILA-DLBZAZTESA-N 1 0 393.329 3.421 20 70 GGIDRO C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000160415145 565244044 /nfs/dbraw/zinc/24/40/44/565244044.db2.gz HQCQJSVQLIRUCQ-DYVFJYSZSA-N 1 0 394.357 3.140 20 70 GGIDRO C[C@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@H+](C)C1CC1 ZINC000160464365 565246421 /nfs/dbraw/zinc/24/64/21/565246421.db2.gz ZZWOQOAHUSJSTN-MRVPVSSYSA-N 1 0 399.713 3.003 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(I)cc1Cl ZINC000160460305 565246939 /nfs/dbraw/zinc/24/69/39/565246939.db2.gz QIZQJAXKVOYTBC-UHFFFAOYSA-N 1 0 380.657 3.192 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000160523946 565249144 /nfs/dbraw/zinc/24/91/44/565249144.db2.gz XVGNUKVSZFVTEW-UHFFFAOYSA-N 1 0 379.302 3.191 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC000160524989 565249657 /nfs/dbraw/zinc/24/96/57/565249657.db2.gz CNYCJIZAJWZJMH-INIZCTEOSA-N 1 0 389.293 3.462 20 70 GGIDRO O=C(Cc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160553748 565250123 /nfs/dbraw/zinc/25/01/23/565250123.db2.gz OGHGJSLHHIANBS-ROUUACIJSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1Br ZINC000160564904 565250592 /nfs/dbraw/zinc/25/05/92/565250592.db2.gz WKGOVFWXQVFHPK-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160558945 565250698 /nfs/dbraw/zinc/25/06/98/565250698.db2.gz SXFKUFGTWZHZBY-ROUUACIJSA-N 1 0 385.335 3.420 20 70 GGIDRO CSc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000160576868 565251642 /nfs/dbraw/zinc/25/16/42/565251642.db2.gz TXTCXFCKCGZWSK-LLVKDONJSA-N 1 0 377.337 3.292 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000160576401 565251734 /nfs/dbraw/zinc/25/17/34/565251734.db2.gz ZJNTYRWCCKWAQA-IUODEOHRSA-N 1 0 379.913 3.437 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1F ZINC000160604996 565253201 /nfs/dbraw/zinc/25/32/01/565253201.db2.gz LRJYBOFIQJZTFZ-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1F ZINC000160629731 565254158 /nfs/dbraw/zinc/25/41/58/565254158.db2.gz YMZSSNLPQVNTMK-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(Br)c1 ZINC000160671832 565255139 /nfs/dbraw/zinc/25/51/39/565255139.db2.gz HCJGHKOZSVZDQS-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(Cc1cc(Cl)ccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160654776 565255473 /nfs/dbraw/zinc/25/54/73/565255473.db2.gz ZTQDIMBOXHBRPB-MSOLQXFVSA-N 1 0 385.335 3.420 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)C1 ZINC000160658212 565255499 /nfs/dbraw/zinc/25/54/99/565255499.db2.gz RVYVQNBYXIIPSJ-CYBMUJFWSA-N 1 0 392.322 3.429 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000160674081 565255541 /nfs/dbraw/zinc/25/55/41/565255541.db2.gz JIERZQMRZCKKSG-KBPBESRZSA-N 1 0 387.343 3.008 20 70 GGIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000160689083 565257171 /nfs/dbraw/zinc/25/71/71/565257171.db2.gz TYKMGCUKQBJZOM-OAHLLOKOSA-N 1 0 379.302 3.200 20 70 GGIDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc([S@](C)=O)cc1 ZINC000160781491 565258909 /nfs/dbraw/zinc/25/89/09/565258909.db2.gz SXXGOJWXBRIICA-SFDCACGMSA-N 1 0 395.322 3.476 20 70 GGIDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc([S@](C)=O)cc1 ZINC000160781378 565259189 /nfs/dbraw/zinc/25/91/89/565259189.db2.gz SXXGOJWXBRIICA-DAOPMYJZSA-N 1 0 395.322 3.476 20 70 GGIDRO CCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000160877623 565262988 /nfs/dbraw/zinc/26/29/88/565262988.db2.gz PVOJAYSAKATUPN-KGLIPLIRSA-N 1 0 391.313 3.197 20 70 GGIDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160925799 565264036 /nfs/dbraw/zinc/26/40/36/565264036.db2.gz BUCKYYFRLXVVEQ-JTQLQIEISA-N 1 0 390.119 3.283 20 70 GGIDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000160915920 565264356 /nfs/dbraw/zinc/26/43/56/565264356.db2.gz XULHQIHRQYYWOE-CZUORRHYSA-N 1 0 378.314 3.241 20 70 GGIDRO C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923110 565264517 /nfs/dbraw/zinc/26/45/17/565264517.db2.gz QHKSNUXMSWUDJN-CABCVRRESA-N 1 0 395.341 3.264 20 70 GGIDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160956266 565265640 /nfs/dbraw/zinc/26/56/40/565265640.db2.gz JCWROACFTZPIQX-SNVBAGLBSA-N 1 0 390.119 3.413 20 70 GGIDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160956383 565265780 /nfs/dbraw/zinc/26/57/80/565265780.db2.gz JCWROACFTZPIQX-JTQLQIEISA-N 1 0 390.119 3.413 20 70 GGIDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CCOCC1 ZINC000161042844 565270160 /nfs/dbraw/zinc/27/01/60/565270160.db2.gz GFWYCSMLSLLENT-AWEZNQCLSA-N 1 0 383.330 3.202 20 70 GGIDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161043810 565270418 /nfs/dbraw/zinc/27/04/18/565270418.db2.gz AJNJAVDSPOTGOZ-UHFFFAOYSA-N 1 0 388.306 3.320 20 70 GGIDRO CCn1cc([C@H](C)[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000161036271 565270493 /nfs/dbraw/zinc/27/04/93/565270493.db2.gz WPPJDTXKGHQRAC-AWEZNQCLSA-N 1 0 393.329 3.365 20 70 GGIDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161109717 565274136 /nfs/dbraw/zinc/27/41/36/565274136.db2.gz NBUGWWMHNXAMBM-DLOVCJGASA-N 1 0 375.694 3.256 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[NH+](C(C)C)CC2)cc1Br ZINC000161120561 565274229 /nfs/dbraw/zinc/27/42/29/565274229.db2.gz XSHKPDDCRUNQBP-UHFFFAOYSA-N 1 0 386.290 3.024 20 70 GGIDRO Cc1cc(I)cc(C(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000161232077 565277596 /nfs/dbraw/zinc/27/75/96/565277596.db2.gz HSCYXVAUNWLBDF-UHFFFAOYSA-N 1 0 398.288 3.265 20 70 GGIDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161237779 565277682 /nfs/dbraw/zinc/27/76/82/565277682.db2.gz QVIZZIAZGVGNLO-UHFFFAOYSA-N 1 0 390.709 3.023 20 70 GGIDRO O=C(CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000161216372 565278183 /nfs/dbraw/zinc/27/81/83/565278183.db2.gz UODZBXOMRUZGKT-OAHLLOKOSA-N 1 0 382.785 3.443 20 70 GGIDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161264949 565279373 /nfs/dbraw/zinc/27/93/73/565279373.db2.gz QXFAGGDNRVTTQM-MLGOLLRUSA-N 1 0 398.322 3.146 20 70 GGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000161296112 565280293 /nfs/dbraw/zinc/28/02/93/565280293.db2.gz SNUYQABAPRMXRY-NEPJUHHUSA-N 1 0 375.694 3.258 20 70 GGIDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161305698 565280440 /nfs/dbraw/zinc/28/04/40/565280440.db2.gz VRIZNNAMNDRWOP-UHFFFAOYSA-N 1 0 378.698 3.144 20 70 GGIDRO CSCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161349105 565281461 /nfs/dbraw/zinc/28/14/61/565281461.db2.gz CZYVNRMDFFENOW-HNNXBMFYSA-N 1 0 385.371 3.458 20 70 GGIDRO COc1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC000216749207 565896888 /nfs/dbraw/zinc/89/68/88/565896888.db2.gz JLGRFDFAWHAYNK-HOCLYGCPSA-N 1 0 385.346 3.465 20 70 GGIDRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159372699 565204430 /nfs/dbraw/zinc/20/44/30/565204430.db2.gz QXAODFINRROUAP-ZDUSSCGKSA-N 1 0 393.325 3.401 20 70 GGIDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000159456747 565207066 /nfs/dbraw/zinc/20/70/66/565207066.db2.gz ZKZXRZPOASYKAK-JKSUJKDBSA-N 1 0 386.323 3.073 20 70 GGIDRO O=C(Nc1cccnc1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159505108 565207625 /nfs/dbraw/zinc/20/76/25/565207625.db2.gz BDMOUZSADRYCML-WFASDCNBSA-N 1 0 379.302 3.325 20 70 GGIDRO O=C(Nc1ccc(Br)nc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159473789 565208265 /nfs/dbraw/zinc/20/82/65/565208265.db2.gz LOBLIURWRSIYTI-SWLSCSKDSA-N 1 0 379.302 3.325 20 70 GGIDRO CC(C)[C@H](CNc1ncc(Cl)cc1Br)N1CC[NH+](C)CC1 ZINC000159562939 565210096 /nfs/dbraw/zinc/21/00/96/565210096.db2.gz NPLVHUOXVMVNMN-AWEZNQCLSA-N 1 0 375.742 3.181 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000159551388 565210408 /nfs/dbraw/zinc/21/04/08/565210408.db2.gz HIRONYVZDGZUMY-AWEZNQCLSA-N 1 0 383.330 3.237 20 70 GGIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cnn1-c1cccc(Br)c1 ZINC000159542413 565210499 /nfs/dbraw/zinc/21/04/99/565210499.db2.gz YEGHQLLYIPAFLL-UHFFFAOYSA-N 1 0 391.313 3.335 20 70 GGIDRO CC[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+](C)C ZINC000159597382 565211339 /nfs/dbraw/zinc/21/13/39/565211339.db2.gz FRFSBHCYUQZVHN-GXFFZTMASA-N 1 0 381.274 3.017 20 70 GGIDRO CC[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+](C)C ZINC000159597248 565211357 /nfs/dbraw/zinc/21/13/57/565211357.db2.gz FRFSBHCYUQZVHN-GWCFXTLKSA-N 1 0 381.274 3.017 20 70 GGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000159606540 565212709 /nfs/dbraw/zinc/21/27/09/565212709.db2.gz XUXJCFUDOGYNJW-UHFFFAOYSA-N 1 0 381.885 3.025 20 70 GGIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000159620591 565212764 /nfs/dbraw/zinc/21/27/64/565212764.db2.gz OTHDRMITODQJKH-KDOFPFPSSA-N 1 0 395.341 3.345 20 70 GGIDRO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159606883 565212966 /nfs/dbraw/zinc/21/29/66/565212966.db2.gz MICXWPHFFIQEIU-HZMBPMFUSA-N 1 0 375.694 3.134 20 70 GGIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159657340 565213760 /nfs/dbraw/zinc/21/37/60/565213760.db2.gz HVPUMFWKCSMOGE-ZWNOBZJWSA-N 1 0 377.373 3.126 20 70 GGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000159632443 565214288 /nfs/dbraw/zinc/21/42/88/565214288.db2.gz GPNGUJNEKKACOU-GOEBONIOSA-N 1 0 380.535 3.304 20 70 GGIDRO O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159682682 565215108 /nfs/dbraw/zinc/21/51/08/565215108.db2.gz NPXBCBDMGLCUCB-OCAPTIKFSA-N 1 0 394.132 3.240 20 70 GGIDRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159736428 565216284 /nfs/dbraw/zinc/21/62/84/565216284.db2.gz OSLZSTDXIXGFSJ-UHFFFAOYSA-N 1 0 397.313 3.198 20 70 GGIDRO CCc1c(NC(=O)[C@H]2CCC[NH2+]C2)n[nH]c1-c1ccc(Br)cc1 ZINC000159785010 565218159 /nfs/dbraw/zinc/21/81/59/565218159.db2.gz CSIYKFYLYXELTL-LBPRGKRZSA-N 1 0 377.286 3.340 20 70 GGIDRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159821805 565220357 /nfs/dbraw/zinc/22/03/57/565220357.db2.gz JNVSFUREHNLOFO-ZDUSSCGKSA-N 1 0 381.314 3.207 20 70 GGIDRO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c2cc(Br)ccc2n1 ZINC000159890517 565222326 /nfs/dbraw/zinc/22/23/26/565222326.db2.gz YENFPXRQDCINGJ-UHFFFAOYSA-N 1 0 376.298 3.472 20 70 GGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000159881004 565222953 /nfs/dbraw/zinc/22/29/53/565222953.db2.gz TVGONHYLBXWPEZ-LSDHHAIUSA-N 1 0 378.563 3.249 20 70 GGIDRO Cc1cc(I)cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1C ZINC000159915881 565223726 /nfs/dbraw/zinc/22/37/26/565223726.db2.gz QWKVLUNUZIOBDC-CQSZACIVSA-N 1 0 386.277 3.074 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000160003929 565228021 /nfs/dbraw/zinc/22/80/21/565228021.db2.gz HWNSCUDMRNCDIG-CYBMUJFWSA-N 1 0 386.309 3.256 20 70 GGIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000160047609 565228582 /nfs/dbraw/zinc/22/85/82/565228582.db2.gz DYQPUNOTVNLXIW-MLGOLLRUSA-N 1 0 388.339 3.442 20 70 GGIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(O)c2)[C@H](C)C1 ZINC000160048445 565228830 /nfs/dbraw/zinc/22/88/30/565228830.db2.gz HADAKBJJQBPITA-CZUORRHYSA-N 1 0 399.329 3.022 20 70 GGIDRO CC(C)([NH3+])CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000160044257 565228957 /nfs/dbraw/zinc/22/89/57/565228957.db2.gz SBQLUBOFXXRJBY-MRXNPFEDSA-N 1 0 377.282 3.423 20 70 GGIDRO CC(C)([NH3+])CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000160062837 565229070 /nfs/dbraw/zinc/22/90/70/565229070.db2.gz QPBNTNMMWOXDKQ-MRXNPFEDSA-N 1 0 377.282 3.423 20 70 GGIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000160090206 565230411 /nfs/dbraw/zinc/23/04/11/565230411.db2.gz RKXDEEWCSIGETO-GUYCJALGSA-N 1 0 390.325 3.416 20 70 GGIDRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160110453 565230992 /nfs/dbraw/zinc/23/09/92/565230992.db2.gz ONNQPYFQNCPYJV-OAHLLOKOSA-N 1 0 376.444 3.344 20 70 GGIDRO O=S(=O)(c1ccccc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160111054 565231734 /nfs/dbraw/zinc/23/17/34/565231734.db2.gz KJKZEPZGIQCVMF-CQSZACIVSA-N 1 0 387.343 3.088 20 70 GGIDRO O=S(=O)(Cc1c(F)cccc1F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160135297 565232938 /nfs/dbraw/zinc/23/29/38/565232938.db2.gz ZRWJETJSMZMOHZ-MRXNPFEDSA-N 1 0 386.489 3.283 20 70 GGIDRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160165304 565233713 /nfs/dbraw/zinc/23/37/13/565233713.db2.gz URMXPADBVHNWJJ-OAHLLOKOSA-N 1 0 387.343 3.088 20 70 GGIDRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160160696 565233800 /nfs/dbraw/zinc/23/38/00/565233800.db2.gz WYDJETPAEHZYAB-OAHLLOKOSA-N 1 0 376.444 3.344 20 70 GGIDRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160367462 565241786 /nfs/dbraw/zinc/24/17/86/565241786.db2.gz CXAMXWUYEOBAHO-ZWKOTPCHSA-N 1 0 382.957 3.316 20 70 GGIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000160369857 565243175 /nfs/dbraw/zinc/24/31/75/565243175.db2.gz BYDFULNWYIMSRL-SNVBAGLBSA-N 1 0 379.220 3.492 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3c(Br)cccc31)CC2 ZINC000160408735 565243931 /nfs/dbraw/zinc/24/39/31/565243931.db2.gz UWYNORLCFMXAGK-IUODEOHRSA-N 1 0 377.286 3.167 20 70 GGIDRO COCCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1 ZINC000160410116 565244035 /nfs/dbraw/zinc/24/40/35/565244035.db2.gz HZFNQVNTMPIILA-IRXDYDNUSA-N 1 0 393.329 3.421 20 70 GGIDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000160415527 565244359 /nfs/dbraw/zinc/24/43/59/565244359.db2.gz HQCQJSVQLIRUCQ-SUMWQHHRSA-N 1 0 394.357 3.140 20 70 GGIDRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000160442107 565245809 /nfs/dbraw/zinc/24/58/09/565245809.db2.gz JMEHGWSEJVHEKW-UHFFFAOYSA-N 1 0 399.713 3.004 20 70 GGIDRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160434979 565245946 /nfs/dbraw/zinc/24/59/46/565245946.db2.gz FDGXXJPOTBXQGB-INIZCTEOSA-N 1 0 383.989 3.353 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000160514568 565248500 /nfs/dbraw/zinc/24/85/00/565248500.db2.gz KXYILIAXRVQPBY-HIFRSBDPSA-N 1 0 377.286 3.167 20 70 GGIDRO Cc1c(Br)cccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160525597 565248921 /nfs/dbraw/zinc/24/89/21/565248921.db2.gz WYNWSSFQZGRYQX-MSOLQXFVSA-N 1 0 395.341 3.255 20 70 GGIDRO Cc1c(Br)cccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160525845 565249121 /nfs/dbraw/zinc/24/91/21/565249121.db2.gz WYNWSSFQZGRYQX-QZTJIDSGSA-N 1 0 395.341 3.255 20 70 GGIDRO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160558804 565250304 /nfs/dbraw/zinc/25/03/04/565250304.db2.gz SXFKUFGTWZHZBY-MSOLQXFVSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(Cc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160553975 565250387 /nfs/dbraw/zinc/25/03/87/565250387.db2.gz OGHGJSLHHIANBS-ZWKOTPCHSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160559192 565250789 /nfs/dbraw/zinc/25/07/89/565250789.db2.gz SXFKUFGTWZHZBY-ZWKOTPCHSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1Br ZINC000160565180 565250873 /nfs/dbraw/zinc/25/08/73/565250873.db2.gz WKGOVFWXQVFHPK-IAGOWNOFSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000160594233 565251454 /nfs/dbraw/zinc/25/14/54/565251454.db2.gz NFPKMLINJRYJSC-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(C[NH2+][C@H]1CCSc2ccc(Br)cc21)NCC(F)(F)F ZINC000160580921 565251611 /nfs/dbraw/zinc/25/16/11/565251611.db2.gz YRERNTCKOMRELI-JTQLQIEISA-N 1 0 383.233 3.254 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)C1 ZINC000160664173 565255480 /nfs/dbraw/zinc/25/54/80/565255480.db2.gz YVPRPWGJZIUZON-YJBOKZPZSA-N 1 0 389.293 3.390 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)C1 ZINC000160658351 565255889 /nfs/dbraw/zinc/25/58/89/565255889.db2.gz RVYVQNBYXIIPSJ-ZDUSSCGKSA-N 1 0 392.322 3.429 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)C1 ZINC000160664052 565255969 /nfs/dbraw/zinc/25/59/69/565255969.db2.gz YVPRPWGJZIUZON-QAPCUYQASA-N 1 0 389.293 3.390 20 70 GGIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000160690644 565256378 /nfs/dbraw/zinc/25/63/78/565256378.db2.gz COBWNLZFMLDMLN-INIZCTEOSA-N 1 0 379.302 3.200 20 70 GGIDRO COc1ccc(Br)c(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000160731346 565258403 /nfs/dbraw/zinc/25/84/03/565258403.db2.gz FYWVBHWOJUGOPS-HNNXBMFYSA-N 1 0 395.341 3.335 20 70 GGIDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160781721 565258888 /nfs/dbraw/zinc/25/88/88/565258888.db2.gz SXXGOJWXBRIICA-SPSFWMDKSA-N 1 0 395.322 3.476 20 70 GGIDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000160771859 565259624 /nfs/dbraw/zinc/25/96/24/565259624.db2.gz SDUVYDURKJFKQC-DYVFJYSZSA-N 1 0 390.325 3.416 20 70 GGIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160817571 565260517 /nfs/dbraw/zinc/26/05/17/565260517.db2.gz OSZDNACENHAYNV-AWEZNQCLSA-N 1 0 383.330 3.191 20 70 GGIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1 ZINC000160803839 565260916 /nfs/dbraw/zinc/26/09/16/565260916.db2.gz QXVKHIJTTRJAIT-UHFFFAOYSA-N 1 0 387.281 3.088 20 70 GGIDRO CCc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000160877364 565262737 /nfs/dbraw/zinc/26/27/37/565262737.db2.gz PVOJAYSAKATUPN-KBPBESRZSA-N 1 0 391.313 3.197 20 70 GGIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCCc1ccc(Br)cc1F ZINC000160884290 565263301 /nfs/dbraw/zinc/26/33/01/565263301.db2.gz DVCRWOGXEUUGFZ-QGZVFWFLSA-N 1 0 379.273 3.207 20 70 GGIDRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000160916248 565263857 /nfs/dbraw/zinc/26/38/57/565263857.db2.gz XULHQIHRQYYWOE-BBRMVZONSA-N 1 0 378.314 3.241 20 70 GGIDRO CCOc1cc(Br)c(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000160927690 565264232 /nfs/dbraw/zinc/26/42/32/565264232.db2.gz PQRMDIMKMDKKCN-KGLIPLIRSA-N 1 0 399.329 3.175 20 70 GGIDRO C[C@@H](NC(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000160932204 565265525 /nfs/dbraw/zinc/26/55/25/565265525.db2.gz MOJDDRGOEQMTTM-NXEZZACHSA-N 1 0 390.119 3.330 20 70 GGIDRO CC(C)NC(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000160938640 565265598 /nfs/dbraw/zinc/26/55/98/565265598.db2.gz QUIUGRODGRLQJT-QGZVFWFLSA-N 1 0 376.298 3.242 20 70 GGIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Cl)c1Cl ZINC000160962537 565266640 /nfs/dbraw/zinc/26/66/40/565266640.db2.gz YFRLMBPBRKSRIA-LLVKDONJSA-N 1 0 380.275 3.059 20 70 GGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)cc1 ZINC000160965240 565266860 /nfs/dbraw/zinc/26/68/60/565266860.db2.gz HQSLAWXRIZVMRV-NSHDSACASA-N 1 0 383.311 3.486 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000161087413 565272907 /nfs/dbraw/zinc/27/29/07/565272907.db2.gz PYJWJZCXNQERTL-GFCCVEGCSA-N 1 0 398.301 3.168 20 70 GGIDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)C(C)C ZINC000161096936 565272945 /nfs/dbraw/zinc/27/29/45/565272945.db2.gz BWVUEKUMXCLTET-OAHLLOKOSA-N 1 0 386.583 3.269 20 70 GGIDRO CC[N@H+](CCNC(=O)Nc1cc(Br)c(OC)cc1OC)C1CC1 ZINC000161123803 565273539 /nfs/dbraw/zinc/27/35/39/565273539.db2.gz RHERQYLXOGEBBC-UHFFFAOYSA-N 1 0 386.290 3.072 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000161114127 565273673 /nfs/dbraw/zinc/27/36/73/565273673.db2.gz UBUZKGYBTORUEK-VXGBXAGGSA-N 1 0 398.301 3.167 20 70 GGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000161115500 565273743 /nfs/dbraw/zinc/27/37/43/565273743.db2.gz BYGAJWKEMKXIIA-HZPDHXFCSA-N 1 0 377.282 3.367 20 70 GGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000161115329 565273971 /nfs/dbraw/zinc/27/39/71/565273971.db2.gz BYGAJWKEMKXIIA-JKSUJKDBSA-N 1 0 377.282 3.367 20 70 GGIDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161265198 565278863 /nfs/dbraw/zinc/27/88/63/565278863.db2.gz QXFAGGDNRVTTQM-WBMJQRKESA-N 1 0 398.322 3.146 20 70 GGIDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1Br)c1cccs1 ZINC000161275036 565278942 /nfs/dbraw/zinc/27/89/42/565278942.db2.gz WGLNBRDEAHBDRE-ZDUSSCGKSA-N 1 0 383.311 3.309 20 70 GGIDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C(C)(C)O1 ZINC000161294034 565279977 /nfs/dbraw/zinc/27/99/77/565279977.db2.gz SGHWLJWYUSLQGU-AWEZNQCLSA-N 1 0 390.343 3.159 20 70 GGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000161296009 565280498 /nfs/dbraw/zinc/28/04/98/565280498.db2.gz SNUYQABAPRMXRY-VXGBXAGGSA-N 1 0 375.694 3.258 20 70 GGIDRO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161332476 565281383 /nfs/dbraw/zinc/28/13/83/565281383.db2.gz RDMLULUQEYMYAE-OAHLLOKOSA-N 1 0 376.298 3.170 20 70 GGIDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000161324882 565281827 /nfs/dbraw/zinc/28/18/27/565281827.db2.gz QWMDRMQGNGOQBZ-LMWSTFAQSA-N 1 0 397.313 3.318 20 70 GGIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449412 565284806 /nfs/dbraw/zinc/28/48/06/565284806.db2.gz WBUOXMPIRKLSKJ-DOMZBBRYSA-N 1 0 379.551 3.342 20 70 GGIDRO C[NH+](C)Cc1ccc(C(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000161468865 565285296 /nfs/dbraw/zinc/28/52/96/565285296.db2.gz ZWSIMXHVVIQXRH-UHFFFAOYSA-N 1 0 377.282 3.320 20 70 GGIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449144 565285538 /nfs/dbraw/zinc/28/55/38/565285538.db2.gz WBUOXMPIRKLSKJ-WFASDCNBSA-N 1 0 379.551 3.342 20 70 GGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000161461220 565285643 /nfs/dbraw/zinc/28/56/43/565285643.db2.gz SSMSBZOJHDNJFZ-BQBZGAKWSA-N 1 0 382.121 3.273 20 70 GGIDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161487169 565286750 /nfs/dbraw/zinc/28/67/50/565286750.db2.gz KRCSHNDCHRKATI-UHFFFAOYSA-N 1 0 397.313 3.361 20 70 GGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630117 719112974 /nfs/dbraw/zinc/11/29/74/719112974.db2.gz VLSXKVJJLSOCHQ-HKUYNNGSSA-N 1 0 389.496 3.149 20 70 GGIDRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159372839 565203753 /nfs/dbraw/zinc/20/37/53/565203753.db2.gz QXAODFINRROUAP-CYBMUJFWSA-N 1 0 393.325 3.401 20 70 GGIDRO CC(C)OCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000159381565 565204581 /nfs/dbraw/zinc/20/45/81/565204581.db2.gz ATANBRTVWJMHBS-UHFFFAOYSA-N 1 0 384.318 3.310 20 70 GGIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159416236 565205662 /nfs/dbraw/zinc/20/56/62/565205662.db2.gz DKBQFYZYRMCYJU-AWEZNQCLSA-N 1 0 385.580 3.165 20 70 GGIDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000159456478 565206762 /nfs/dbraw/zinc/20/67/62/565206762.db2.gz ZKZXRZPOASYKAK-HOTGVXAUSA-N 1 0 386.323 3.073 20 70 GGIDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000159456377 565207114 /nfs/dbraw/zinc/20/71/14/565207114.db2.gz ZKZXRZPOASYKAK-CVEARBPZSA-N 1 0 386.323 3.073 20 70 GGIDRO O=C(Nc1ccc(Br)nc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159473667 565208212 /nfs/dbraw/zinc/20/82/12/565208212.db2.gz LOBLIURWRSIYTI-DOMZBBRYSA-N 1 0 379.302 3.325 20 70 GGIDRO CC[C@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC000159520271 565209285 /nfs/dbraw/zinc/20/92/85/565209285.db2.gz VREXWJUPYWBFRK-MRXNPFEDSA-N 1 0 379.302 3.167 20 70 GGIDRO CC[C@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+](C)C ZINC000159597684 565211455 /nfs/dbraw/zinc/21/14/55/565211455.db2.gz FRFSBHCYUQZVHN-ZWNOBZJWSA-N 1 0 381.274 3.017 20 70 GGIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CCSC2)CC1 ZINC000159665160 565214136 /nfs/dbraw/zinc/21/41/36/565214136.db2.gz MHTCZUWESUJUOD-HNNXBMFYSA-N 1 0 382.961 3.451 20 70 GGIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159657477 565214243 /nfs/dbraw/zinc/21/42/43/565214243.db2.gz HVPUMFWKCSMOGE-GWCFXTLKSA-N 1 0 377.373 3.126 20 70 GGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159812321 565219093 /nfs/dbraw/zinc/21/90/93/565219093.db2.gz KAWNTMUMSQUZMT-HUUCEWRRSA-N 1 0 377.330 3.071 20 70 GGIDRO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)N1CCc2ccccc2C1 ZINC000159812015 565219486 /nfs/dbraw/zinc/21/94/86/565219486.db2.gz KAWNTMUMSQUZMT-LSDHHAIUSA-N 1 0 377.330 3.071 20 70 GGIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000159846913 565220156 /nfs/dbraw/zinc/22/01/56/565220156.db2.gz OFFFVIQNMKXJJD-OAHLLOKOSA-N 1 0 388.339 3.229 20 70 GGIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000159847064 565220303 /nfs/dbraw/zinc/22/03/03/565220303.db2.gz OFFFVIQNMKXJJD-HNNXBMFYSA-N 1 0 388.339 3.229 20 70 GGIDRO C[N@@H+]1CCCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000159853261 565221339 /nfs/dbraw/zinc/22/13/39/565221339.db2.gz AHQOXUDTYUDEEM-UHFFFAOYSA-N 1 0 382.295 3.408 20 70 GGIDRO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000159881142 565222204 /nfs/dbraw/zinc/22/22/04/565222204.db2.gz TVGONHYLBXWPEZ-HUUCEWRRSA-N 1 0 378.563 3.249 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000159897330 565222213 /nfs/dbraw/zinc/22/22/13/565222213.db2.gz ZEKGJGXTXCODAT-UHFFFAOYSA-N 1 0 380.330 3.218 20 70 GGIDRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1CC[NH+](C)CC1 ZINC000159936207 565225548 /nfs/dbraw/zinc/22/55/48/565225548.db2.gz ZSUJVAHLRGVWKV-CXAGYDPISA-N 1 0 381.314 3.079 20 70 GGIDRO CCOCCC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000159969413 565226557 /nfs/dbraw/zinc/22/65/57/565226557.db2.gz KKGVUYRXHXLYDF-HNNXBMFYSA-N 1 0 387.293 3.301 20 70 GGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159998662 565226711 /nfs/dbraw/zinc/22/67/11/565226711.db2.gz VOCACOGDKJTQEY-LBPRGKRZSA-N 1 0 397.283 3.288 20 70 GGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000160116919 565231863 /nfs/dbraw/zinc/23/18/63/565231863.db2.gz FLPHGHAIOPAWDK-STQMWFEESA-N 1 0 378.485 3.072 20 70 GGIDRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160127980 565231867 /nfs/dbraw/zinc/23/18/67/565231867.db2.gz ZYRFHWHTGRJHDL-GFCCVEGCSA-N 1 0 393.372 3.150 20 70 GGIDRO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160175789 565233775 /nfs/dbraw/zinc/23/37/75/565233775.db2.gz HMPCTGZSDAKCOR-AWEZNQCLSA-N 1 0 376.444 3.344 20 70 GGIDRO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160175929 565234162 /nfs/dbraw/zinc/23/41/62/565234162.db2.gz HMPCTGZSDAKCOR-CQSZACIVSA-N 1 0 376.444 3.344 20 70 GGIDRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160217350 565235866 /nfs/dbraw/zinc/23/58/66/565235866.db2.gz CBVKQPGIRVTNDX-ROUUACIJSA-N 1 0 395.341 3.255 20 70 GGIDRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160260247 565238783 /nfs/dbraw/zinc/23/87/83/565238783.db2.gz SDIIJYCEFJCEJK-KRWDZBQOSA-N 1 0 399.377 3.440 20 70 GGIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160288369 565239924 /nfs/dbraw/zinc/23/99/24/565239924.db2.gz LBJDPUUVLRGXJA-GJZGRUSLSA-N 1 0 399.377 3.297 20 70 GGIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000160305900 565240214 /nfs/dbraw/zinc/24/02/14/565240214.db2.gz OSVVCWQYGFJMDK-LLVKDONJSA-N 1 0 386.340 3.126 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1sccc1Br ZINC000160360557 565241793 /nfs/dbraw/zinc/24/17/93/565241793.db2.gz ILGWUNOCAYWIJV-ZIAGYGMSSA-N 1 0 387.343 3.008 20 70 GGIDRO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000160370600 565243138 /nfs/dbraw/zinc/24/31/38/565243138.db2.gz UZROCNQDRSLCQD-HNNXBMFYSA-N 1 0 380.261 3.324 20 70 GGIDRO C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000160406570 565244241 /nfs/dbraw/zinc/24/42/41/565244241.db2.gz XWHWVSOLLHJSPM-PBHICJAKSA-N 1 0 383.330 3.122 20 70 GGIDRO C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000160406814 565244427 /nfs/dbraw/zinc/24/44/27/565244427.db2.gz XWHWVSOLLHJSPM-RHSMWYFYSA-N 1 0 383.330 3.122 20 70 GGIDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@H+](C)C1CC1 ZINC000160464227 565247005 /nfs/dbraw/zinc/24/70/05/565247005.db2.gz ZZWOQOAHUSJSTN-QMMMGPOBSA-N 1 0 399.713 3.003 20 70 GGIDRO COCCC[NH+]1CCC(NC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000160468240 565247029 /nfs/dbraw/zinc/24/70/29/565247029.db2.gz UJHUGOMVLSIFOO-CQSZACIVSA-N 1 0 383.330 3.170 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3ccc(Br)cc31)CC2 ZINC000160460100 565247259 /nfs/dbraw/zinc/24/72/59/565247259.db2.gz VVRDEGAHKMGQRR-GXTWGEPZSA-N 1 0 379.327 3.491 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000160514347 565247900 /nfs/dbraw/zinc/24/79/00/565247900.db2.gz KXYILIAXRVQPBY-UKRRQHHQSA-N 1 0 377.286 3.167 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000160514461 565248086 /nfs/dbraw/zinc/24/80/86/565248086.db2.gz KXYILIAXRVQPBY-DZGCQCFKSA-N 1 0 377.286 3.167 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000160566995 565250315 /nfs/dbraw/zinc/25/03/15/565250315.db2.gz NBSZCCZSBAKWOC-HNNXBMFYSA-N 1 0 387.277 3.114 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000160563902 565250337 /nfs/dbraw/zinc/25/03/37/565250337.db2.gz QDWBOEJQIXDBGV-OLZOCXBDSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000160564038 565250692 /nfs/dbraw/zinc/25/06/92/565250692.db2.gz QDWBOEJQIXDBGV-STQMWFEESA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160559066 565250756 /nfs/dbraw/zinc/25/07/56/565250756.db2.gz SXFKUFGTWZHZBY-QZTJIDSGSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(Cc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160553876 565250821 /nfs/dbraw/zinc/25/08/21/565250821.db2.gz OGHGJSLHHIANBS-QZTJIDSGSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(C[NH2+][C@@H]1CCSc2ccc(Br)cc21)NCC(F)(F)F ZINC000160580810 565251435 /nfs/dbraw/zinc/25/14/35/565251435.db2.gz YRERNTCKOMRELI-SNVBAGLBSA-N 1 0 383.233 3.254 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000160576175 565251670 /nfs/dbraw/zinc/25/16/70/565251670.db2.gz ZJNTYRWCCKWAQA-DOMZBBRYSA-N 1 0 379.913 3.437 20 70 GGIDRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000160572765 565251822 /nfs/dbraw/zinc/25/18/22/565251822.db2.gz KUKCDQPENCDWFM-AWEZNQCLSA-N 1 0 381.314 3.260 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000160576048 565251836 /nfs/dbraw/zinc/25/18/36/565251836.db2.gz ZJNTYRWCCKWAQA-WFASDCNBSA-N 1 0 379.913 3.437 20 70 GGIDRO CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000160786385 565259302 /nfs/dbraw/zinc/25/93/02/565259302.db2.gz BXPLQIUQDIKPAG-GFCCVEGCSA-N 1 0 382.251 3.102 20 70 GGIDRO O=C(c1ccc(Br)cc1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160815909 565260811 /nfs/dbraw/zinc/26/08/11/565260811.db2.gz MZCITTYYRQAZQQ-UHFFFAOYSA-N 1 0 394.357 3.083 20 70 GGIDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160811358 565260827 /nfs/dbraw/zinc/26/08/27/565260827.db2.gz KNPWIGCJCYWXOS-AWEZNQCLSA-N 1 0 383.330 3.191 20 70 GGIDRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000160927344 565263920 /nfs/dbraw/zinc/26/39/20/565263920.db2.gz PQRMDIMKMDKKCN-UONOGXRCSA-N 1 0 399.329 3.175 20 70 GGIDRO CCOc1cc(Br)c(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000160927462 565264166 /nfs/dbraw/zinc/26/41/66/565264166.db2.gz PQRMDIMKMDKKCN-KBPBESRZSA-N 1 0 399.329 3.175 20 70 GGIDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160925922 565264239 /nfs/dbraw/zinc/26/42/39/565264239.db2.gz BUCKYYFRLXVVEQ-SNVBAGLBSA-N 1 0 390.119 3.283 20 70 GGIDRO C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000160932343 565265410 /nfs/dbraw/zinc/26/54/10/565265410.db2.gz MOJDDRGOEQMTTM-UWVGGRQHSA-N 1 0 390.119 3.330 20 70 GGIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3ccc(Cl)nc3)CC2)CC1 ZINC000160968702 565266341 /nfs/dbraw/zinc/26/63/41/565266341.db2.gz KDUPDRMEJXJAER-UHFFFAOYSA-N 1 0 385.961 3.198 20 70 GGIDRO CC(C)NC(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160978767 565266421 /nfs/dbraw/zinc/26/64/21/565266421.db2.gz FCEBVSMUKWPFNB-SNVBAGLBSA-N 1 0 379.810 3.190 20 70 GGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160978651 565266603 /nfs/dbraw/zinc/26/66/03/565266603.db2.gz FCEBVSMUKWPFNB-JTQLQIEISA-N 1 0 379.810 3.190 20 70 GGIDRO COc1cccc(OCCC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000160991736 565267305 /nfs/dbraw/zinc/26/73/05/565267305.db2.gz KTMBZGFBOZPEKM-QGZVFWFLSA-N 1 0 393.281 3.043 20 70 GGIDRO CC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1[NH3+] ZINC000160986210 565267473 /nfs/dbraw/zinc/26/74/73/565267473.db2.gz LISVPAVQGLVPAW-NOZJJQNGSA-N 1 0 390.119 3.411 20 70 GGIDRO COc1cccc(OCCC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000160991599 565267639 /nfs/dbraw/zinc/26/76/39/565267639.db2.gz KTMBZGFBOZPEKM-KRWDZBQOSA-N 1 0 393.281 3.043 20 70 GGIDRO CC[NH2+]CC1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000161027269 565269009 /nfs/dbraw/zinc/26/90/09/565269009.db2.gz ZKGJOUPZXAUUKN-UHFFFAOYSA-N 1 0 391.313 3.097 20 70 GGIDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CN1C1CC1 ZINC000161039700 565269863 /nfs/dbraw/zinc/26/98/63/565269863.db2.gz BHHXODIOMMFDMF-GOEBONIOSA-N 1 0 394.357 3.012 20 70 GGIDRO CC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCOC1 ZINC000161038935 565269964 /nfs/dbraw/zinc/26/99/64/565269964.db2.gz PIUSIIUDAGGRMT-NVXWUHKLSA-N 1 0 383.330 3.202 20 70 GGIDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CCOCC1 ZINC000161042966 565270488 /nfs/dbraw/zinc/27/04/88/565270488.db2.gz GFWYCSMLSLLENT-CQSZACIVSA-N 1 0 383.330 3.202 20 70 GGIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(OC)ccc1Br ZINC000161058873 565270955 /nfs/dbraw/zinc/27/09/55/565270955.db2.gz UOKPMQMLWFEOPF-CABCVRRESA-N 1 0 381.314 3.085 20 70 GGIDRO COc1cc(OC)c(NC(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000161099769 565272546 /nfs/dbraw/zinc/27/25/46/565272546.db2.gz KZZXULJLYKGYPK-UHFFFAOYSA-N 1 0 386.290 3.074 20 70 GGIDRO COc1ccc(COCCC[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000161080019 565272584 /nfs/dbraw/zinc/27/25/84/565272584.db2.gz UCIAQSGCFMKKDD-AWEZNQCLSA-N 1 0 382.302 3.239 20 70 GGIDRO COc1ccc(COCCC[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000161080143 565272780 /nfs/dbraw/zinc/27/27/80/565272780.db2.gz UCIAQSGCFMKKDD-CQSZACIVSA-N 1 0 382.302 3.239 20 70 GGIDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)C(C)C ZINC000161096831 565272982 /nfs/dbraw/zinc/27/29/82/565272982.db2.gz BWVUEKUMXCLTET-HNNXBMFYSA-N 1 0 386.583 3.269 20 70 GGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000161115416 565273699 /nfs/dbraw/zinc/27/36/99/565273699.db2.gz BYGAJWKEMKXIIA-HOTGVXAUSA-N 1 0 377.282 3.367 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000161110632 565273959 /nfs/dbraw/zinc/27/39/59/565273959.db2.gz BGTOQZBVBHAIBO-UHFFFAOYSA-N 1 0 398.301 3.026 20 70 GGIDRO CCC(CC)(C[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000161208338 565277423 /nfs/dbraw/zinc/27/74/23/565277423.db2.gz ZDCOKQMKXRPOOQ-UHFFFAOYSA-N 1 0 397.357 3.379 20 70 GGIDRO CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1OC ZINC000161244243 565277822 /nfs/dbraw/zinc/27/78/22/565277822.db2.gz DJFLIJYTJSPVEK-CYBMUJFWSA-N 1 0 385.302 3.071 20 70 GGIDRO CCC(CC)(C[NH3+])C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000161258523 565279274 /nfs/dbraw/zinc/27/92/74/565279274.db2.gz HRRXKNFJXHYJEE-UHFFFAOYSA-N 1 0 379.302 3.398 20 70 GGIDRO COC1CC[NH+](CCNC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161315810 565280136 /nfs/dbraw/zinc/28/01/36/565280136.db2.gz SYKUYAPRLJYZRO-UHFFFAOYSA-N 1 0 390.709 3.335 20 70 GGIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000161344804 565281524 /nfs/dbraw/zinc/28/15/24/565281524.db2.gz AFEQJVWNSVQPRE-FAEJEUNOSA-N 1 0 394.357 3.312 20 70 GGIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000161344676 565282121 /nfs/dbraw/zinc/28/21/21/565282121.db2.gz AFEQJVWNSVQPRE-ZLPCBKJTSA-N 1 0 394.357 3.312 20 70 GGIDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161375904 565282393 /nfs/dbraw/zinc/28/23/93/565282393.db2.gz CRBPUNDGDGPIJB-UHFFFAOYSA-N 1 0 378.698 3.192 20 70 GGIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000161359638 565282547 /nfs/dbraw/zinc/28/25/47/565282547.db2.gz PMKHQHVENLNHNV-FAEJEUNOSA-N 1 0 394.357 3.312 20 70 GGIDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449271 565284997 /nfs/dbraw/zinc/28/49/97/565284997.db2.gz WBUOXMPIRKLSKJ-IUODEOHRSA-N 1 0 379.551 3.342 20 70 GGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000161461360 565285355 /nfs/dbraw/zinc/28/53/55/565285355.db2.gz SSMSBZOJHDNJFZ-RNFRBKRXSA-N 1 0 382.121 3.273 20 70 GGIDRO CC(=O)NC1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000161487053 565286239 /nfs/dbraw/zinc/28/62/39/565286239.db2.gz FFAIVTJIQPEEFU-UHFFFAOYSA-N 1 0 396.329 3.123 20 70 GGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630119 719113345 /nfs/dbraw/zinc/11/33/45/719113345.db2.gz VLSXKVJJLSOCHQ-MJGOQNOKSA-N 1 0 389.496 3.149 20 70 GGIDRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159384712 565204285 /nfs/dbraw/zinc/20/42/85/565204285.db2.gz RWFHZCQXTYAPGS-ZDUSSCGKSA-N 1 0 383.945 3.095 20 70 GGIDRO CC(C)OCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380705 565204310 /nfs/dbraw/zinc/20/43/10/565204310.db2.gz DJRGWDYPBRXUTQ-CQSZACIVSA-N 1 0 384.318 3.310 20 70 GGIDRO Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455102 565206622 /nfs/dbraw/zinc/20/66/22/565206622.db2.gz HHPWCKHGFXKZFR-CQSZACIVSA-N 1 0 383.539 3.005 20 70 GGIDRO Cc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1Cl ZINC000159456110 565206944 /nfs/dbraw/zinc/20/69/44/565206944.db2.gz CBPVRPIOMJNRCG-HUUCEWRRSA-N 1 0 386.323 3.195 20 70 GGIDRO O=C(Nc1ccc(Br)nc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159473550 565207956 /nfs/dbraw/zinc/20/79/56/565207956.db2.gz LOBLIURWRSIYTI-IUODEOHRSA-N 1 0 379.302 3.325 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000159551204 565210029 /nfs/dbraw/zinc/21/00/29/565210029.db2.gz HIRONYVZDGZUMY-CQSZACIVSA-N 1 0 383.330 3.237 20 70 GGIDRO C[N@H+](CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1CCSC1 ZINC000159599618 565211815 /nfs/dbraw/zinc/21/18/15/565211815.db2.gz ZGPABIJXSQVVCW-HNNXBMFYSA-N 1 0 383.355 3.034 20 70 GGIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000159620985 565212846 /nfs/dbraw/zinc/21/28/46/565212846.db2.gz OTHDRMITODQJKH-KBXCAEBGSA-N 1 0 395.341 3.345 20 70 GGIDRO COc1ccc(Br)c(CC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000159640780 565214456 /nfs/dbraw/zinc/21/44/56/565214456.db2.gz QBHLKTDMDSRPSZ-UHFFFAOYSA-N 1 0 391.309 3.378 20 70 GGIDRO CCCC[NH+]1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000159689658 565215285 /nfs/dbraw/zinc/21/52/85/565215285.db2.gz VWSBIQXOLRYYJU-UHFFFAOYSA-N 1 0 383.330 3.381 20 70 GGIDRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C1CC[NH+](C)CC1 ZINC000159936573 565224576 /nfs/dbraw/zinc/22/45/76/565224576.db2.gz ZSUJVAHLRGVWKV-GUYCJALGSA-N 1 0 381.314 3.079 20 70 GGIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C2SCCCS2)cc1 ZINC000159999986 565225958 /nfs/dbraw/zinc/22/59/58/565225958.db2.gz YLWAYHMRJMZSKB-QGZVFWFLSA-N 1 0 380.579 3.132 20 70 GGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159998779 565226708 /nfs/dbraw/zinc/22/67/08/565226708.db2.gz VOCACOGDKJTQEY-GFCCVEGCSA-N 1 0 397.283 3.288 20 70 GGIDRO CCOCCC1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000159969555 565226656 /nfs/dbraw/zinc/22/66/56/565226656.db2.gz KKGVUYRXHXLYDF-OAHLLOKOSA-N 1 0 387.293 3.301 20 70 GGIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(O)c2)[C@H](C)C1 ZINC000160048302 565229136 /nfs/dbraw/zinc/22/91/36/565229136.db2.gz HADAKBJJQBPITA-CJNGLKHVSA-N 1 0 399.329 3.022 20 70 GGIDRO COc1ccc(Br)c(CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000160084053 565230153 /nfs/dbraw/zinc/23/01/53/565230153.db2.gz YTVWWMGKNQXKFW-CQSZACIVSA-N 1 0 381.314 3.133 20 70 GGIDRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160127847 565231597 /nfs/dbraw/zinc/23/15/97/565231597.db2.gz ZYRFHWHTGRJHDL-LBPRGKRZSA-N 1 0 393.372 3.150 20 70 GGIDRO COc1c(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)c(C)nn1C ZINC000160160453 565234292 /nfs/dbraw/zinc/23/42/92/565234292.db2.gz QBEKMQZHPBVOGH-UHFFFAOYSA-N 1 0 378.270 3.065 20 70 GGIDRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160217572 565235844 /nfs/dbraw/zinc/23/58/44/565235844.db2.gz CBVKQPGIRVTNDX-ZWKOTPCHSA-N 1 0 395.341 3.255 20 70 GGIDRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160217233 565235986 /nfs/dbraw/zinc/23/59/86/565235986.db2.gz CBVKQPGIRVTNDX-MSOLQXFVSA-N 1 0 395.341 3.255 20 70 GGIDRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160217476 565236254 /nfs/dbraw/zinc/23/62/54/565236254.db2.gz CBVKQPGIRVTNDX-QZTJIDSGSA-N 1 0 395.341 3.255 20 70 GGIDRO C[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000160269386 565238883 /nfs/dbraw/zinc/23/88/83/565238883.db2.gz NIQCMFCSEOFLAZ-KBPBESRZSA-N 1 0 385.350 3.049 20 70 GGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000160280307 565239158 /nfs/dbraw/zinc/23/91/58/565239158.db2.gz ZXHPZLHNSNHWOI-ZDUSSCGKSA-N 1 0 379.254 3.184 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1sccc1Br ZINC000160360301 565241299 /nfs/dbraw/zinc/24/12/99/565241299.db2.gz ILGWUNOCAYWIJV-KGLIPLIRSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1sccc1Br ZINC000160360679 565241606 /nfs/dbraw/zinc/24/16/06/565241606.db2.gz ILGWUNOCAYWIJV-UONOGXRCSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(COc1ccccc1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160394953 565244203 /nfs/dbraw/zinc/24/42/03/565244203.db2.gz APRGKKWRZPJDTR-OAHLLOKOSA-N 1 0 393.281 3.374 20 70 GGIDRO C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000160415276 565244288 /nfs/dbraw/zinc/24/42/88/565244288.db2.gz HQCQJSVQLIRUCQ-GUYCJALGSA-N 1 0 394.357 3.140 20 70 GGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3c(Br)cccc31)CC2 ZINC000160408867 565244696 /nfs/dbraw/zinc/24/46/96/565244696.db2.gz UWYNORLCFMXAGK-SWLSCSKDSA-N 1 0 377.286 3.167 20 70 GGIDRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160435095 565245437 /nfs/dbraw/zinc/24/54/37/565245437.db2.gz FDGXXJPOTBXQGB-MRXNPFEDSA-N 1 0 383.989 3.353 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000160475969 565246454 /nfs/dbraw/zinc/24/64/54/565246454.db2.gz RNBNBFZEHQSZAH-AWEZNQCLSA-N 1 0 376.254 3.070 20 70 GGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](CCOC)Cc1cccc(Br)c1 ZINC000160521187 565247754 /nfs/dbraw/zinc/24/77/54/565247754.db2.gz ONWNCTMZBWJIIC-OAHLLOKOSA-N 1 0 385.346 3.278 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)C1 ZINC000160568828 565250736 /nfs/dbraw/zinc/25/07/36/565250736.db2.gz KGMMVFCAAWGHJO-INIZCTEOSA-N 1 0 389.293 3.462 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)C1 ZINC000160587435 565251366 /nfs/dbraw/zinc/25/13/66/565251366.db2.gz IGWYATPIDVUTQF-ZDUSSCGKSA-N 1 0 392.322 3.429 20 70 GGIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160603182 565252636 /nfs/dbraw/zinc/25/26/36/565252636.db2.gz TWDIRSNYAWTRLB-QZTJIDSGSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160603299 565252734 /nfs/dbraw/zinc/25/27/34/565252734.db2.gz TWDIRSNYAWTRLB-ZWKOTPCHSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1F ZINC000160629837 565253804 /nfs/dbraw/zinc/25/38/04/565253804.db2.gz YMZSSNLPQVNTMK-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1F ZINC000160629495 565254604 /nfs/dbraw/zinc/25/46/04/565254604.db2.gz YMZSSNLPQVNTMK-SJORKVTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000160677658 565255165 /nfs/dbraw/zinc/25/51/65/565255165.db2.gz NQBZQBMOLAPBQX-IRXDYDNUSA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(CSc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160682612 565255655 /nfs/dbraw/zinc/25/56/55/565255655.db2.gz BBKAQCHTRSLVDB-IRXDYDNUSA-N 1 0 382.957 3.316 20 70 GGIDRO O=C(Cc1cc(Cl)ccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160654918 565255689 /nfs/dbraw/zinc/25/56/89/565255689.db2.gz ZTQDIMBOXHBRPB-ROUUACIJSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160745075 565257680 /nfs/dbraw/zinc/25/76/80/565257680.db2.gz FAPWTYMDMIBVMQ-CABCVRRESA-N 1 0 379.287 3.359 20 70 GGIDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160781599 565259665 /nfs/dbraw/zinc/25/96/65/565259665.db2.gz SXXGOJWXBRIICA-MYODQAERSA-N 1 0 395.322 3.476 20 70 GGIDRO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841300 565261480 /nfs/dbraw/zinc/26/14/80/565261480.db2.gz NIQFRCXITWZAKD-AGIUHOORSA-N 1 0 381.314 3.496 20 70 GGIDRO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841694 565262256 /nfs/dbraw/zinc/26/22/56/565262256.db2.gz NIQFRCXITWZAKD-RWMBFGLXSA-N 1 0 381.314 3.496 20 70 GGIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCc1ccc(Br)cc1F ZINC000160883891 565263094 /nfs/dbraw/zinc/26/30/94/565263094.db2.gz DVCRWOGXEUUGFZ-KRWDZBQOSA-N 1 0 379.273 3.207 20 70 GGIDRO C[NH2+]CC1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000160939207 565265256 /nfs/dbraw/zinc/26/52/56/565265256.db2.gz ZWHMIXWQPKQNPV-UHFFFAOYSA-N 1 0 390.119 3.283 20 70 GGIDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160957051 565265376 /nfs/dbraw/zinc/26/53/76/565265376.db2.gz YVVWJTASPMWRHX-ZJUUUORDSA-N 1 0 390.119 3.411 20 70 GGIDRO C[C@@H](NC(=O)c1cc(Br)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000160932442 565265428 /nfs/dbraw/zinc/26/54/28/565265428.db2.gz MOJDDRGOEQMTTM-ZJUUUORDSA-N 1 0 390.119 3.330 20 70 GGIDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160956670 565265594 /nfs/dbraw/zinc/26/55/94/565265594.db2.gz YVVWJTASPMWRHX-VHSXEESVSA-N 1 0 390.119 3.411 20 70 GGIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCc3cc(Br)ccc32)cc1 ZINC000160961024 565266388 /nfs/dbraw/zinc/26/63/88/565266388.db2.gz UYDWFUWBMOYYLF-SFHVURJKSA-N 1 0 389.293 3.351 20 70 GGIDRO C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CN1C1CC1 ZINC000161039447 565269769 /nfs/dbraw/zinc/26/97/69/565269769.db2.gz BHHXODIOMMFDMF-HOCLYGCPSA-N 1 0 394.357 3.012 20 70 GGIDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CN1C1CC1 ZINC000161039572 565270290 /nfs/dbraw/zinc/27/02/90/565270290.db2.gz BHHXODIOMMFDMF-GDBMZVCRSA-N 1 0 394.357 3.012 20 70 GGIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000161040303 565270522 /nfs/dbraw/zinc/27/05/22/565270522.db2.gz HMDDFTCJBOVNJM-UHFFFAOYSA-N 1 0 383.330 3.238 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1Br ZINC000161069431 565271746 /nfs/dbraw/zinc/27/17/46/565271746.db2.gz ZKRGIWWBNAIMJK-NWDGAFQWSA-N 1 0 398.301 3.167 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000161072844 565271793 /nfs/dbraw/zinc/27/17/93/565271793.db2.gz XDNKUOWOJDTINB-GFCCVEGCSA-N 1 0 398.301 3.168 20 70 GGIDRO COc1cc(OC)c(NC(=O)N(C)CC[NH+]2CCCC2)cc1Br ZINC000161112678 565273781 /nfs/dbraw/zinc/27/37/81/565273781.db2.gz AQLVOUSSNBSQHZ-UHFFFAOYSA-N 1 0 386.290 3.026 20 70 GGIDRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000161141382 565275211 /nfs/dbraw/zinc/27/52/11/565275211.db2.gz KBBPWQODPMDDEZ-UHFFFAOYSA-N 1 0 393.329 3.261 20 70 GGIDRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161265074 565278937 /nfs/dbraw/zinc/27/89/37/565278937.db2.gz QXFAGGDNRVTTQM-LRDDRELGSA-N 1 0 398.322 3.146 20 70 GGIDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449022 565285343 /nfs/dbraw/zinc/28/53/43/565285343.db2.gz WBUOXMPIRKLSKJ-SWLSCSKDSA-N 1 0 379.551 3.342 20 70 GGIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159430628 565206324 /nfs/dbraw/zinc/20/63/24/565206324.db2.gz WEFUJNCROGOORI-ZDUSSCGKSA-N 1 0 385.580 3.165 20 70 GGIDRO CC[C@@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC000159520147 565209026 /nfs/dbraw/zinc/20/90/26/565209026.db2.gz VREXWJUPYWBFRK-INIZCTEOSA-N 1 0 379.302 3.167 20 70 GGIDRO CC(C)[C@@H](CNc1ncc(Cl)cc1Br)N1CC[NH+](C)CC1 ZINC000159562811 565210760 /nfs/dbraw/zinc/21/07/60/565210760.db2.gz NPLVHUOXVMVNMN-CQSZACIVSA-N 1 0 375.742 3.181 20 70 GGIDRO CC[C@@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+](C)C ZINC000159597531 565211590 /nfs/dbraw/zinc/21/15/90/565211590.db2.gz FRFSBHCYUQZVHN-MFKMUULPSA-N 1 0 381.274 3.017 20 70 GGIDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cncs2)c1 ZINC000159602088 565211830 /nfs/dbraw/zinc/21/18/30/565211830.db2.gz JPESYWCLWJBQPM-LLVKDONJSA-N 1 0 398.326 3.385 20 70 GGIDRO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159603914 565212790 /nfs/dbraw/zinc/21/27/90/565212790.db2.gz GBNZFZRQFBRSGO-YOEHRIQHSA-N 1 0 376.298 3.499 20 70 GGIDRO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159607031 565212933 /nfs/dbraw/zinc/21/29/33/565212933.db2.gz MICXWPHFFIQEIU-YGRLFVJLSA-N 1 0 375.694 3.134 20 70 GGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000159632702 565213885 /nfs/dbraw/zinc/21/38/85/565213885.db2.gz GPNGUJNEKKACOU-HOCLYGCPSA-N 1 0 380.535 3.304 20 70 GGIDRO [NH3+]CC(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000159743856 565216534 /nfs/dbraw/zinc/21/65/34/565216534.db2.gz WUIWJZRLVPKQPQ-UHFFFAOYSA-N 1 0 383.275 3.416 20 70 GGIDRO CCc1c(NC(=O)[C@@H]2CCC[NH2+]C2)n[nH]c1-c1ccc(Br)cc1 ZINC000159784882 565218292 /nfs/dbraw/zinc/21/82/92/565218292.db2.gz CSIYKFYLYXELTL-GFCCVEGCSA-N 1 0 377.286 3.340 20 70 GGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159812154 565219495 /nfs/dbraw/zinc/21/94/95/565219495.db2.gz KAWNTMUMSQUZMT-CABCVRRESA-N 1 0 377.330 3.071 20 70 GGIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159838419 565220638 /nfs/dbraw/zinc/22/06/38/565220638.db2.gz WYHGLHWZWXWNST-CYBMUJFWSA-N 1 0 381.314 3.207 20 70 GGIDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000159880741 565222382 /nfs/dbraw/zinc/22/23/82/565222382.db2.gz TVGONHYLBXWPEZ-GJZGRUSLSA-N 1 0 378.563 3.249 20 70 GGIDRO O=S(=O)(c1ccccc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160110905 565231789 /nfs/dbraw/zinc/23/17/89/565231789.db2.gz KJKZEPZGIQCVMF-AWEZNQCLSA-N 1 0 387.343 3.088 20 70 GGIDRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160125664 565231878 /nfs/dbraw/zinc/23/18/78/565231878.db2.gz YXETZIYCHDZBHM-GFCCVEGCSA-N 1 0 378.325 3.027 20 70 GGIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]([NH3+])CCSC)s2)cc1 ZINC000160131473 565233106 /nfs/dbraw/zinc/23/31/06/565233106.db2.gz KASSEQQMVWZXGU-NHYWBVRUSA-N 1 0 379.551 3.385 20 70 GGIDRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160173175 565234345 /nfs/dbraw/zinc/23/43/45/565234345.db2.gz VQBSAGDQKKTKII-LBPRGKRZSA-N 1 0 393.372 3.150 20 70 GGIDRO C[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000160269280 565238373 /nfs/dbraw/zinc/23/83/73/565238373.db2.gz NIQCMFCSEOFLAZ-KGLIPLIRSA-N 1 0 385.350 3.049 20 70 GGIDRO O=C(COc1ccccc1Br)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160394821 565242472 /nfs/dbraw/zinc/24/24/72/565242472.db2.gz APRGKKWRZPJDTR-HNNXBMFYSA-N 1 0 393.281 3.374 20 70 GGIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000160369729 565242997 /nfs/dbraw/zinc/24/29/97/565242997.db2.gz BYDFULNWYIMSRL-JTQLQIEISA-N 1 0 379.220 3.492 20 70 GGIDRO COc1cccc([C@@H](CNC(=O)c2ccc(C)nc2Br)[NH+](C)C)c1 ZINC000160374154 565243023 /nfs/dbraw/zinc/24/30/23/565243023.db2.gz WACRERRANQHGPV-MRXNPFEDSA-N 1 0 392.297 3.194 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3c(Br)cccc31)CC2 ZINC000160408997 565244014 /nfs/dbraw/zinc/24/40/14/565244014.db2.gz UWYNORLCFMXAGK-DOMZBBRYSA-N 1 0 377.286 3.167 20 70 GGIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160397856 565244023 /nfs/dbraw/zinc/24/40/23/565244023.db2.gz GOTLPNKFZJPNCX-HNNXBMFYSA-N 1 0 399.377 3.441 20 70 GGIDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000160415394 565244367 /nfs/dbraw/zinc/24/43/67/565244367.db2.gz HQCQJSVQLIRUCQ-CXAGYDPISA-N 1 0 394.357 3.140 20 70 GGIDRO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000160428098 565245230 /nfs/dbraw/zinc/24/52/30/565245230.db2.gz FHZVIRBGWQJFGJ-KRWDZBQOSA-N 1 0 382.346 3.042 20 70 GGIDRO Cc1nc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Br ZINC000160436780 565245863 /nfs/dbraw/zinc/24/58/63/565245863.db2.gz VAAXWPPQVSQKQW-CQSZACIVSA-N 1 0 381.318 3.492 20 70 GGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3ccc(Br)cc31)CC2 ZINC000160459997 565246560 /nfs/dbraw/zinc/24/65/60/565246560.db2.gz VVRDEGAHKMGQRR-TZMCWYRMSA-N 1 0 379.327 3.491 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000160475848 565246587 /nfs/dbraw/zinc/24/65/87/565246587.db2.gz RNBNBFZEHQSZAH-CQSZACIVSA-N 1 0 376.254 3.070 20 70 GGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160492088 565247652 /nfs/dbraw/zinc/24/76/52/565247652.db2.gz GSLVHHYARSJNOA-HNNXBMFYSA-N 1 0 392.345 3.455 20 70 GGIDRO Cc1c(Br)cccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160525969 565249295 /nfs/dbraw/zinc/24/92/95/565249295.db2.gz WYNWSSFQZGRYQX-ZWKOTPCHSA-N 1 0 395.341 3.255 20 70 GGIDRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160547012 565249767 /nfs/dbraw/zinc/24/97/67/565249767.db2.gz SOUKHLGXQJVKLO-GFCCVEGCSA-N 1 0 399.969 3.410 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)C1 ZINC000160542300 565249783 /nfs/dbraw/zinc/24/97/83/565249783.db2.gz KCOFWGOYGGQAEL-LBPRGKRZSA-N 1 0 379.291 3.102 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000160566884 565250322 /nfs/dbraw/zinc/25/03/22/565250322.db2.gz NBSZCCZSBAKWOC-OAHLLOKOSA-N 1 0 387.277 3.114 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Br ZINC000160594580 565251605 /nfs/dbraw/zinc/25/16/05/565251605.db2.gz NFPKMLINJRYJSC-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000160576286 565251938 /nfs/dbraw/zinc/25/19/38/565251938.db2.gz ZJNTYRWCCKWAQA-SWLSCSKDSA-N 1 0 379.913 3.437 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1F ZINC000160605115 565252542 /nfs/dbraw/zinc/25/25/42/565252542.db2.gz LRJYBOFIQJZTFZ-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160603060 565252676 /nfs/dbraw/zinc/25/26/76/565252676.db2.gz TWDIRSNYAWTRLB-ROUUACIJSA-N 1 0 385.335 3.420 20 70 GGIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160602946 565253104 /nfs/dbraw/zinc/25/31/04/565253104.db2.gz TWDIRSNYAWTRLB-MSOLQXFVSA-N 1 0 385.335 3.420 20 70 GGIDRO CN(Cc1cc(Br)cn1C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000160638528 565254023 /nfs/dbraw/zinc/25/40/23/565254023.db2.gz DYCHTZKSPCOKKL-UHFFFAOYSA-N 1 0 393.329 3.191 20 70 GGIDRO O=C(CSc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160682861 565255283 /nfs/dbraw/zinc/25/52/83/565255283.db2.gz BBKAQCHTRSLVDB-DLBZAZTESA-N 1 0 382.957 3.316 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)C1 ZINC000160663898 565255679 /nfs/dbraw/zinc/25/56/79/565255679.db2.gz YVPRPWGJZIUZON-MAUKXSAKSA-N 1 0 389.293 3.390 20 70 GGIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(Br)c1 ZINC000160672214 565255706 /nfs/dbraw/zinc/25/57/06/565255706.db2.gz HCJGHKOZSVZDQS-DLBZAZTESA-N 1 0 399.304 3.086 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000160673917 565255902 /nfs/dbraw/zinc/25/59/02/565255902.db2.gz JIERZQMRZCKKSG-KGLIPLIRSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000160674224 565256058 /nfs/dbraw/zinc/25/60/58/565256058.db2.gz JIERZQMRZCKKSG-ZIAGYGMSSA-N 1 0 387.343 3.008 20 70 GGIDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160744937 565257743 /nfs/dbraw/zinc/25/77/43/565257743.db2.gz FAPWTYMDMIBVMQ-HUUCEWRRSA-N 1 0 379.287 3.359 20 70 GGIDRO COc1ccc(Br)c(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000160731211 565257818 /nfs/dbraw/zinc/25/78/18/565257818.db2.gz FYWVBHWOJUGOPS-OAHLLOKOSA-N 1 0 395.341 3.335 20 70 GGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000160753126 565258300 /nfs/dbraw/zinc/25/83/00/565258300.db2.gz GKXZUBMQQXTGQE-ZDUSSCGKSA-N 1 0 379.254 3.055 20 70 GGIDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000160782781 565258937 /nfs/dbraw/zinc/25/89/37/565258937.db2.gz CMRCVWLLSMWGCO-NSHDSACASA-N 1 0 377.238 3.467 20 70 GGIDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000160782918 565259514 /nfs/dbraw/zinc/25/95/14/565259514.db2.gz CMRCVWLLSMWGCO-LLVKDONJSA-N 1 0 377.238 3.467 20 70 GGIDRO O=C(C[NH2+]C1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 ZINC000160780764 565259750 /nfs/dbraw/zinc/25/97/50/565259750.db2.gz SFJSWORUJILZBV-UHFFFAOYSA-N 1 0 389.297 3.041 20 70 GGIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000160771742 565259808 /nfs/dbraw/zinc/25/98/08/565259808.db2.gz SDUVYDURKJFKQC-CXAGYDPISA-N 1 0 390.325 3.416 20 70 GGIDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160811488 565260529 /nfs/dbraw/zinc/26/05/29/565260529.db2.gz KNPWIGCJCYWXOS-CQSZACIVSA-N 1 0 383.330 3.191 20 70 GGIDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(Br)cc2)c1C ZINC000160799716 565260787 /nfs/dbraw/zinc/26/07/87/565260787.db2.gz ZXQYCWAUUMXQRD-UHFFFAOYSA-N 1 0 394.313 3.458 20 70 GGIDRO O=C(c1ccccc1Sc1ccc(Br)cn1)N1CCC[NH2+]CC1 ZINC000160852872 565261580 /nfs/dbraw/zinc/26/15/80/565261580.db2.gz DCRROFQJJHMXBE-UHFFFAOYSA-N 1 0 392.322 3.431 20 70 GGIDRO CS(=O)(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cs1 ZINC000160849708 565261809 /nfs/dbraw/zinc/26/18/09/565261809.db2.gz SDBYGWBCQQQAEV-UHFFFAOYSA-N 1 0 378.519 3.042 20 70 GGIDRO Cc1nc(CCC(=O)N2CCC[NH2+]CC2)oc1-c1ccc(Br)cc1 ZINC000160849401 565262270 /nfs/dbraw/zinc/26/22/70/565262270.db2.gz MKRHNVHREOWUNH-UHFFFAOYSA-N 1 0 392.297 3.167 20 70 GGIDRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000160916018 565263871 /nfs/dbraw/zinc/26/38/71/565263871.db2.gz XULHQIHRQYYWOE-CJNGLKHVSA-N 1 0 378.314 3.241 20 70 GGIDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160956911 565265481 /nfs/dbraw/zinc/26/54/81/565265481.db2.gz YVVWJTASPMWRHX-UWVGGRQHSA-N 1 0 390.119 3.411 20 70 GGIDRO C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000160932096 565265759 /nfs/dbraw/zinc/26/57/59/565265759.db2.gz MOJDDRGOEQMTTM-VHSXEESVSA-N 1 0 390.119 3.330 20 70 GGIDRO CC1(CNC(=O)c2cc(Br)ccc2Br)CC[NH2+]CC1 ZINC000161001101 565267333 /nfs/dbraw/zinc/26/73/33/565267333.db2.gz WKXJUCAPWUQHBX-UHFFFAOYSA-N 1 0 390.119 3.331 20 70 GGIDRO CC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1[NH3+] ZINC000160985961 565267720 /nfs/dbraw/zinc/26/77/20/565267720.db2.gz LISVPAVQGLVPAW-RNCFNFMXSA-N 1 0 390.119 3.411 20 70 GGIDRO CC[N@@H+]1CCCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000161046227 565269704 /nfs/dbraw/zinc/26/97/04/565269704.db2.gz MNPVRASNTVZBJW-UHFFFAOYSA-N 1 0 386.290 3.026 20 70 GGIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)ccc1Cl ZINC000161034041 565269971 /nfs/dbraw/zinc/26/99/71/565269971.db2.gz TWNGBQXYYLCCHN-NSHDSACASA-N 1 0 380.275 3.059 20 70 GGIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)ccc1Cl ZINC000161034154 565270230 /nfs/dbraw/zinc/27/02/30/565270230.db2.gz TWNGBQXYYLCCHN-LLVKDONJSA-N 1 0 380.275 3.059 20 70 GGIDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CN1C1CC1 ZINC000161039318 565270503 /nfs/dbraw/zinc/27/05/03/565270503.db2.gz BHHXODIOMMFDMF-ZBFHGGJFSA-N 1 0 394.357 3.012 20 70 GGIDRO CCC[NH+]1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000161057745 565271443 /nfs/dbraw/zinc/27/14/43/565271443.db2.gz ZFINDHDZWJUHPD-UHFFFAOYSA-N 1 0 386.290 3.026 20 70 GGIDRO COc1cc(OC)c(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000161099361 565272815 /nfs/dbraw/zinc/27/28/15/565272815.db2.gz ZFRXUAHMCJPXCB-UHFFFAOYSA-N 1 0 398.301 3.215 20 70 GGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000161092020 565272987 /nfs/dbraw/zinc/27/29/87/565272987.db2.gz LFNUOSWPNUPPQI-UONOGXRCSA-N 1 0 393.329 3.352 20 70 GGIDRO COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000161114237 565273932 /nfs/dbraw/zinc/27/39/32/565273932.db2.gz UBUZKGYBTORUEK-NWDGAFQWSA-N 1 0 398.301 3.167 20 70 GGIDRO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O ZINC000161129002 565275140 /nfs/dbraw/zinc/27/51/40/565275140.db2.gz BSHOBSXYIKQREQ-UHFFFAOYSA-N 1 0 383.275 3.498 20 70 GGIDRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140043 565275232 /nfs/dbraw/zinc/27/52/32/565275232.db2.gz BMHGARYCKSXYHC-DNVCBOLYSA-N 1 0 385.335 3.279 20 70 GGIDRO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140172 565275335 /nfs/dbraw/zinc/27/53/35/565275335.db2.gz BMHGARYCKSXYHC-BEFAXECRSA-N 1 0 385.335 3.279 20 70 GGIDRO COCCC[NH+]1CCC(NC(=O)CCCc2ccccc2Br)CC1 ZINC000161184982 565276661 /nfs/dbraw/zinc/27/66/61/565276661.db2.gz YBKBZDZZCCMPBH-UHFFFAOYSA-N 1 0 397.357 3.389 20 70 GGIDRO O=C(CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000161216243 565278023 /nfs/dbraw/zinc/27/80/23/565278023.db2.gz UODZBXOMRUZGKT-HNNXBMFYSA-N 1 0 382.785 3.443 20 70 GGIDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161252689 565278869 /nfs/dbraw/zinc/27/88/69/565278869.db2.gz SDDRLNIFZPTBGO-UHFFFAOYSA-N 1 0 378.698 3.192 20 70 GGIDRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161336069 565281320 /nfs/dbraw/zinc/28/13/20/565281320.db2.gz XTWUJBCALKBFNH-ZFWWWQNUSA-N 1 0 383.305 3.464 20 70 GGIDRO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161332374 565282054 /nfs/dbraw/zinc/28/20/54/565282054.db2.gz RDMLULUQEYMYAE-HNNXBMFYSA-N 1 0 376.298 3.170 20 70 GGIDRO Cc1cc(I)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000161339472 565282126 /nfs/dbraw/zinc/28/21/26/565282126.db2.gz SHTVNFZIZUWQHG-HNNXBMFYSA-N 1 0 398.288 3.218 20 70 GGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000161461090 565285099 /nfs/dbraw/zinc/28/50/99/565285099.db2.gz SSMSBZOJHDNJFZ-NKWVEPMBSA-N 1 0 382.121 3.273 20 70 GGIDRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC000216749166 565897186 /nfs/dbraw/zinc/89/71/86/565897186.db2.gz JLGRFDFAWHAYNK-ZBFHGGJFSA-N 1 0 385.346 3.465 20 70 GGIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1O ZINC000218391775 565899843 /nfs/dbraw/zinc/89/98/43/565899843.db2.gz SMXFMLRGWYXTQO-UHFFFAOYSA-N 1 0 377.282 3.359 20 70 GGIDRO [NH3+][C@@H]1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC000160190682 570985193 /nfs/dbraw/zinc/98/51/93/570985193.db2.gz CICBKIGTQNOGFQ-LLVKDONJSA-N 1 0 398.816 3.206 20 70 GGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630118 719112817 /nfs/dbraw/zinc/11/28/17/719112817.db2.gz VLSXKVJJLSOCHQ-IEBWSBKVSA-N 1 0 389.496 3.149 20 70 GGIDRO