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 565205023 /nfs/dbraw/zinc/20/50/23/565205023.db2.gz UIMGKOVXWPXJAB-ZDUSSCGKSA-N 1 1 386.323 3.334 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159467294 565206437 /nfs/dbraw/zinc/20/64/37/565206437.db2.gz KQNROKHPDWTEML-CYBMUJFWSA-N 1 1 396.887 3.235 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159467294 565206443 /nfs/dbraw/zinc/20/64/43/565206443.db2.gz KQNROKHPDWTEML-CYBMUJFWSA-N 1 1 396.887 3.235 20 70 GGIDMO O=C(NCCCCSc1ccccc1Br)[C@H]1CSC[NH2+]1 ZINC000159546456 565210635 /nfs/dbraw/zinc/21/06/35/565210635.db2.gz FTPVBHUTZLTUQF-GFCCVEGCSA-N 1 1 375.357 3.100 20 70 GGIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000159570834 565210653 /nfs/dbraw/zinc/21/06/53/565210653.db2.gz SBIKURNMTWJTOB-LLVKDONJSA-N 1 1 392.668 3.159 20 70 GGIDMO C[N@@H+](CC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700123 565215051 /nfs/dbraw/zinc/21/50/51/565215051.db2.gz KRZFDEBCEBXFDC-LSDHHAIUSA-N 1 1 379.595 3.165 20 70 GGIDMO C[C@H](CNC(=O)NCc1nc(C2CC2)cs1)[N@@H+]1CCc2sccc2C1 ZINC000159861875 565221709 /nfs/dbraw/zinc/22/17/09/565221709.db2.gz BWKYREJZVUKHRY-GFCCVEGCSA-N 1 1 376.551 3.328 20 70 GGIDMO C[C@H](CNC(=O)NCc1nc(C2CC2)cs1)[N@H+]1CCc2sccc2C1 ZINC000159861875 565221715 /nfs/dbraw/zinc/22/17/15/565221715.db2.gz BWKYREJZVUKHRY-GFCCVEGCSA-N 1 1 376.551 3.328 20 70 GGIDMO COc1ccc(Br)c(CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000160084141 565229955 /nfs/dbraw/zinc/22/99/55/565229955.db2.gz YTVWWMGKNQXKFW-AWEZNQCLSA-N 1 1 381.314 3.133 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Br)c(F)c1 ZINC000160322095 565239878 /nfs/dbraw/zinc/23/98/78/565239878.db2.gz YQMLGUIJTWJAQG-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160288227 565240323 /nfs/dbraw/zinc/24/03/23/565240323.db2.gz LBJDPUUVLRGXJA-GASCZTMLSA-N 1 1 399.377 3.297 20 70 GGIDMO COc1cccc(CCC[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000160343473 565241802 /nfs/dbraw/zinc/24/18/02/565241802.db2.gz WDRLHAJDZWTMIU-UHFFFAOYSA-N 1 1 392.297 3.356 20 70 GGIDMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841562 565262058 /nfs/dbraw/zinc/26/20/58/565262058.db2.gz NIQFRCXITWZAKD-FRRDWIJNSA-N 1 1 381.314 3.496 20 70 GGIDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841562 565262065 /nfs/dbraw/zinc/26/20/65/565262065.db2.gz NIQFRCXITWZAKD-FRRDWIJNSA-N 1 1 381.314 3.496 20 70 GGIDMO CCCN1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000161030364 565268732 /nfs/dbraw/zinc/26/87/32/565268732.db2.gz YBDIVHBCABVAGK-UHFFFAOYSA-N 1 1 396.373 3.262 20 70 GGIDMO COc1cc(OC)c(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Br ZINC000161087576 565272615 /nfs/dbraw/zinc/27/26/15/565272615.db2.gz PYJWJZCXNQERTL-LBPRGKRZSA-N 1 1 398.301 3.168 20 70 GGIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161101840 565272685 /nfs/dbraw/zinc/27/26/85/565272685.db2.gz DDTQSTRYZLQTIO-NSHDSACASA-N 1 1 388.306 3.318 20 70 GGIDMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161106462 565274205 /nfs/dbraw/zinc/27/42/05/565274205.db2.gz AFGZYIAQXBRLHV-NSHDSACASA-N 1 1 384.860 3.172 20 70 GGIDMO COc1ccc(Br)c(CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000161168470 565276216 /nfs/dbraw/zinc/27/62/16/565276216.db2.gz XFVUQNZHNQJIPC-CQSZACIVSA-N 1 1 383.330 3.094 20 70 GGIDMO C[C@H](CNC(=O)Nc1ccc(Br)c(Cl)c1)C[NH+]1CCOCC1 ZINC000161303204 565280020 /nfs/dbraw/zinc/28/00/20/565280020.db2.gz HACKHUXQQKNIHZ-LLVKDONJSA-N 1 1 390.709 3.192 20 70 GGIDMO O=C(NCc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217315434 565897532 /nfs/dbraw/zinc/89/75/32/565897532.db2.gz ZKMCZIGUARFLJC-UHFFFAOYSA-N 1 1 388.309 3.477 20 70 GGIDMO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)n2)cc1F ZINC000159372443 565204092 /nfs/dbraw/zinc/20/40/92/565204092.db2.gz QRKJPIZTYKEZCM-GFCCVEGCSA-N 1 1 381.498 3.334 20 70 GGIDMO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)n2)cc1F ZINC000159372443 565204096 /nfs/dbraw/zinc/20/40/96/565204096.db2.gz QRKJPIZTYKEZCM-GFCCVEGCSA-N 1 1 381.498 3.334 20 70 GGIDMO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159384564 565204729 /nfs/dbraw/zinc/20/47/29/565204729.db2.gz RWFHZCQXTYAPGS-CYBMUJFWSA-N 1 1 383.945 3.095 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159412564 565205448 /nfs/dbraw/zinc/20/54/48/565205448.db2.gz CMVKKEHNTLKMGZ-ZDUSSCGKSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159412564 565205452 /nfs/dbraw/zinc/20/54/52/565205452.db2.gz CMVKKEHNTLKMGZ-ZDUSSCGKSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159467163 565206505 /nfs/dbraw/zinc/20/65/05/565206505.db2.gz KQNROKHPDWTEML-ZDUSSCGKSA-N 1 1 396.887 3.235 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159467163 565206509 /nfs/dbraw/zinc/20/65/09/565206509.db2.gz KQNROKHPDWTEML-ZDUSSCGKSA-N 1 1 396.887 3.235 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159430749 565206742 /nfs/dbraw/zinc/20/67/42/565206742.db2.gz WEFUJNCROGOORI-CYBMUJFWSA-N 1 1 385.580 3.165 20 70 GGIDMO O=C(Nc1ccc(Br)nc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000159473926 565207723 /nfs/dbraw/zinc/20/77/23/565207723.db2.gz LOBLIURWRSIYTI-WFASDCNBSA-N 1 1 379.302 3.325 20 70 GGIDMO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C[C@@H]1CCC[C@@H]1O ZINC000159559811 565209987 /nfs/dbraw/zinc/20/99/87/565209987.db2.gz OGGIQNSEZSHQBY-ZFWWWQNUSA-N 1 1 380.286 3.016 20 70 GGIDMO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C[C@@H]1CCC[C@@H]1O ZINC000159559811 565209991 /nfs/dbraw/zinc/20/99/91/565209991.db2.gz OGGIQNSEZSHQBY-ZFWWWQNUSA-N 1 1 380.286 3.016 20 70 GGIDMO O=C(C[C@H]1CSCCS1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000159574146 565210134 /nfs/dbraw/zinc/21/01/34/565210134.db2.gz JPWMFXYSHRKWPO-HNNXBMFYSA-N 1 1 386.533 3.284 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(F)cc1Br ZINC000159585434 565211436 /nfs/dbraw/zinc/21/14/36/565211436.db2.gz LBVWPWHLVVPRNI-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO Cc1c(Br)cccc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159642542 565214393 /nfs/dbraw/zinc/21/43/93/565214393.db2.gz XOSVKBIQJZLQGE-UHFFFAOYSA-N 1 1 383.330 3.188 20 70 GGIDMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700256 565215471 /nfs/dbraw/zinc/21/54/71/565215471.db2.gz KRZFDEBCEBXFDC-HUUCEWRRSA-N 1 1 379.595 3.165 20 70 GGIDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000159728579 565216355 /nfs/dbraw/zinc/21/63/55/565216355.db2.gz ORKFCXDYRBVAPJ-CQSZACIVSA-N 1 1 392.297 3.452 20 70 GGIDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000159728579 565216358 /nfs/dbraw/zinc/21/63/58/565216358.db2.gz ORKFCXDYRBVAPJ-CQSZACIVSA-N 1 1 392.297 3.452 20 70 GGIDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000159728456 565216773 /nfs/dbraw/zinc/21/67/73/565216773.db2.gz ORKFCXDYRBVAPJ-AWEZNQCLSA-N 1 1 392.297 3.452 20 70 GGIDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000159728456 565216777 /nfs/dbraw/zinc/21/67/77/565216777.db2.gz ORKFCXDYRBVAPJ-AWEZNQCLSA-N 1 1 392.297 3.452 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000159872249 565221423 /nfs/dbraw/zinc/22/14/23/565221423.db2.gz XLASQOSUGCVWKQ-UHFFFAOYSA-N 1 1 386.309 3.258 20 70 GGIDMO CC(C)CSCCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000160031171 565227705 /nfs/dbraw/zinc/22/77/05/565227705.db2.gz WBIYLUNZCWNMCU-AWEZNQCLSA-N 1 1 377.323 3.484 20 70 GGIDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000160090336 565230081 /nfs/dbraw/zinc/23/00/81/565230081.db2.gz RKXDEEWCSIGETO-DYVFJYSZSA-N 1 1 390.325 3.416 20 70 GGIDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160239296 565237750 /nfs/dbraw/zinc/23/77/50/565237750.db2.gz LRKHRATXPWGTPF-UHFFFAOYSA-N 1 1 394.317 3.156 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000160258282 565238852 /nfs/dbraw/zinc/23/88/52/565238852.db2.gz SQAJLNYPGXTGHO-UHFFFAOYSA-N 1 1 379.551 3.302 20 70 GGIDMO Cc1ccc(NCCCNC(=O)Cc2ccc(Br)c(F)c2)[nH+]c1 ZINC000160302710 565240024 /nfs/dbraw/zinc/24/00/24/565240024.db2.gz DZQXUXSSTMHUDV-UHFFFAOYSA-N 1 1 380.261 3.453 20 70 GGIDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160397716 565243689 /nfs/dbraw/zinc/24/36/89/565243689.db2.gz GOTLPNKFZJPNCX-OAHLLOKOSA-N 1 1 399.377 3.441 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000160428222 565245612 /nfs/dbraw/zinc/24/56/12/565245612.db2.gz IINSIECTUISNSS-OQPBUACISA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000160428222 565245617 /nfs/dbraw/zinc/24/56/17/565245617.db2.gz IINSIECTUISNSS-OQPBUACISA-N 1 1 394.672 3.082 20 70 GGIDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160817680 565261054 /nfs/dbraw/zinc/26/10/54/565261054.db2.gz OSZDNACENHAYNV-CQSZACIVSA-N 1 1 383.330 3.191 20 70 GGIDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841428 565261933 /nfs/dbraw/zinc/26/19/33/565261933.db2.gz NIQFRCXITWZAKD-AVGNSLFASA-N 1 1 381.314 3.496 20 70 GGIDMO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841428 565261936 /nfs/dbraw/zinc/26/19/36/565261936.db2.gz NIQFRCXITWZAKD-AVGNSLFASA-N 1 1 381.314 3.496 20 70 GGIDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)n1 ZINC000160916115 565264398 /nfs/dbraw/zinc/26/43/98/565264398.db2.gz XULHQIHRQYYWOE-XJKSGUPXSA-N 1 1 378.314 3.241 20 70 GGIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161101722 565272379 /nfs/dbraw/zinc/27/23/79/565272379.db2.gz DDTQSTRYZLQTIO-LLVKDONJSA-N 1 1 388.306 3.318 20 70 GGIDMO Cc1cc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000161118126 565273884 /nfs/dbraw/zinc/27/38/84/565273884.db2.gz WJJADMBGGOAACY-HLLBOEOZSA-N 1 1 395.341 3.471 20 70 GGIDMO Cc1cc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000161118126 565273888 /nfs/dbraw/zinc/27/38/88/565273888.db2.gz WJJADMBGGOAACY-HLLBOEOZSA-N 1 1 395.341 3.471 20 70 GGIDMO CC[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000161323314 565281550 /nfs/dbraw/zinc/28/15/50/565281550.db2.gz ACVSUXZYQNIAHL-OAHLLOKOSA-N 1 1 383.311 3.006 20 70 GGIDMO CC[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000161323314 565281555 /nfs/dbraw/zinc/28/15/55/565281555.db2.gz ACVSUXZYQNIAHL-OAHLLOKOSA-N 1 1 383.311 3.006 20 70 GGIDMO C[NH+]1CCC(N[C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000161478582 565284913 /nfs/dbraw/zinc/28/49/13/565284913.db2.gz PYOWIAVZONUZGG-HNNXBMFYSA-N 1 1 386.277 3.189 20 70 GGIDMO O=C(NCc1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217314271 565897620 /nfs/dbraw/zinc/89/76/20/565897620.db2.gz XXSTWVJNUNQVJE-UHFFFAOYSA-N 1 1 388.309 3.477 20 70 GGIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630120 719112766 /nfs/dbraw/zinc/11/27/66/719112766.db2.gz VLSXKVJJLSOCHQ-PKOBYXMFSA-N 1 1 389.496 3.149 20 70 GGIDMO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@H]3CCSC3)n2)cc1F ZINC000159372614 565203930 /nfs/dbraw/zinc/20/39/30/565203930.db2.gz QRKJPIZTYKEZCM-LBPRGKRZSA-N 1 1 381.498 3.334 20 70 GGIDMO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)n2)cc1F ZINC000159372614 565203932 /nfs/dbraw/zinc/20/39/32/565203932.db2.gz QRKJPIZTYKEZCM-LBPRGKRZSA-N 1 1 381.498 3.334 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159416347 565205812 /nfs/dbraw/zinc/20/58/12/565205812.db2.gz DKBQFYZYRMCYJU-CQSZACIVSA-N 1 1 385.580 3.165 20 70 GGIDMO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1Cl ZINC000159406255 565205979 /nfs/dbraw/zinc/20/59/79/565205979.db2.gz UIMGKOVXWPXJAB-CYBMUJFWSA-N 1 1 386.323 3.334 20 70 GGIDMO O=C(Nc1cccnc1Br)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000159504970 565207570 /nfs/dbraw/zinc/20/75/70/565207570.db2.gz BDMOUZSADRYCML-SWLSCSKDSA-N 1 1 379.302 3.325 20 70 GGIDMO O=C(Nc1cccnc1Br)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000159504836 565207580 /nfs/dbraw/zinc/20/75/80/565207580.db2.gz BDMOUZSADRYCML-DOMZBBRYSA-N 1 1 379.302 3.325 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000159566523 565210538 /nfs/dbraw/zinc/21/05/38/565210538.db2.gz JHACPWSHRZAIDI-UHFFFAOYSA-N 1 1 378.567 3.460 20 70 GGIDMO C[N@@H+](CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCSC1 ZINC000159599458 565211269 /nfs/dbraw/zinc/21/12/69/565211269.db2.gz ZGPABIJXSQVVCW-OAHLLOKOSA-N 1 1 383.355 3.034 20 70 GGIDMO C[N@H+](CC(=O)Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCSC1 ZINC000159603970 565212480 /nfs/dbraw/zinc/21/24/80/565212480.db2.gz HDQXREWHXRYBPO-CYBMUJFWSA-N 1 1 380.564 3.206 20 70 GGIDMO C[N@@H+](CC(=O)Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCSC1 ZINC000159603970 565212484 /nfs/dbraw/zinc/21/24/84/565212484.db2.gz HDQXREWHXRYBPO-CYBMUJFWSA-N 1 1 380.564 3.206 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCc1ccc(Br)cc1 ZINC000159623220 565212899 /nfs/dbraw/zinc/21/28/99/565212899.db2.gz DZOJXLAHHKKTOF-UHFFFAOYSA-N 1 1 397.357 3.199 20 70 GGIDMO Cc1ccc(Br)c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159755774 565217503 /nfs/dbraw/zinc/21/75/03/565217503.db2.gz KELHEKSQUIGWCK-UHFFFAOYSA-N 1 1 383.330 3.188 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000159866161 565221408 /nfs/dbraw/zinc/22/14/08/565221408.db2.gz UIFINQHJELZMHG-UHFFFAOYSA-N 1 1 380.330 3.218 20 70 GGIDMO Brc1ccc(-c2nccc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159850521 565221453 /nfs/dbraw/zinc/22/14/53/565221453.db2.gz FUEJSOUKTMCXRA-UHFFFAOYSA-N 1 1 394.338 3.472 20 70 GGIDMO Cc1cc(I)cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1C ZINC000159916013 565223448 /nfs/dbraw/zinc/22/34/48/565223448.db2.gz QWKVLUNUZIOBDC-AWEZNQCLSA-N 1 1 386.277 3.074 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000159925721 565223931 /nfs/dbraw/zinc/22/39/31/565223931.db2.gz NGWWTGUSVDUMJT-MFKMUULPSA-N 1 1 377.432 3.024 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000159925721 565223937 /nfs/dbraw/zinc/22/39/37/565223937.db2.gz NGWWTGUSVDUMJT-MFKMUULPSA-N 1 1 377.432 3.024 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000159925861 565224303 /nfs/dbraw/zinc/22/43/03/565224303.db2.gz NGWWTGUSVDUMJT-GXFFZTMASA-N 1 1 377.432 3.024 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000159925861 565224304 /nfs/dbraw/zinc/22/43/04/565224304.db2.gz NGWWTGUSVDUMJT-GXFFZTMASA-N 1 1 377.432 3.024 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000160003787 565227647 /nfs/dbraw/zinc/22/76/47/565227647.db2.gz HWNSCUDMRNCDIG-ZDUSSCGKSA-N 1 1 386.309 3.256 20 70 GGIDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000160047449 565228727 /nfs/dbraw/zinc/22/87/27/565228727.db2.gz DYQPUNOTVNLXIW-WBMJQRKESA-N 1 1 388.339 3.442 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000160428496 565245575 /nfs/dbraw/zinc/24/55/75/565245575.db2.gz IINSIECTUISNSS-AMIZOPFISA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000160428496 565245577 /nfs/dbraw/zinc/24/55/77/565245577.db2.gz IINSIECTUISNSS-AMIZOPFISA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000160428087 565245688 /nfs/dbraw/zinc/24/56/88/565245688.db2.gz IINSIECTUISNSS-SDBXPKJASA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000160428087 565245690 /nfs/dbraw/zinc/24/56/90/565245690.db2.gz IINSIECTUISNSS-SDBXPKJASA-N 1 1 394.672 3.082 20 70 GGIDMO CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160547424 565249109 /nfs/dbraw/zinc/24/91/09/565249109.db2.gz BHUQAMUPVMJAQL-QGZVFWFLSA-N 1 1 380.535 3.040 20 70 GGIDMO CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160547424 565249113 /nfs/dbraw/zinc/24/91/13/565249113.db2.gz BHUQAMUPVMJAQL-QGZVFWFLSA-N 1 1 380.535 3.040 20 70 GGIDMO O=C(Cc1ccc(Br)c(F)c1)NCC[N@@H+]1CCc2sccc2C1 ZINC000160632568 565253922 /nfs/dbraw/zinc/25/39/22/565253922.db2.gz JNOGYQQSMDSICC-UHFFFAOYSA-N 1 1 397.313 3.367 20 70 GGIDMO O=C(Cc1ccc(Br)c(F)c1)NCC[N@H+]1CCc2sccc2C1 ZINC000160632568 565253927 /nfs/dbraw/zinc/25/39/27/565253927.db2.gz JNOGYQQSMDSICC-UHFFFAOYSA-N 1 1 397.313 3.367 20 70 GGIDMO C[C@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923241 565264144 /nfs/dbraw/zinc/26/41/44/565264144.db2.gz QHKSNUXMSWUDJN-GJZGRUSLSA-N 1 1 395.341 3.264 20 70 GGIDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161029559 565268611 /nfs/dbraw/zinc/26/86/11/565268611.db2.gz HLSZZLCCVXPNMD-UHFFFAOYSA-N 1 1 388.306 3.320 20 70 GGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161034853 565270048 /nfs/dbraw/zinc/27/00/48/565270048.db2.gz SMZJUFIXSNOEIM-IIDMSEBBSA-N 1 1 396.373 3.116 20 70 GGIDMO Cc1cccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000161117356 565274148 /nfs/dbraw/zinc/27/41/48/565274148.db2.gz SMIWBTACWYMHOV-XHSDSOJGSA-N 1 1 395.341 3.471 20 70 GGIDMO Cc1cccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000161117356 565274153 /nfs/dbraw/zinc/27/41/53/565274153.db2.gz SMIWBTACWYMHOV-XHSDSOJGSA-N 1 1 395.341 3.471 20 70 GGIDMO COc1ccc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000161168608 565276909 /nfs/dbraw/zinc/27/69/09/565276909.db2.gz XFVUQNZHNQJIPC-AWEZNQCLSA-N 1 1 383.330 3.094 20 70 GGIDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000161284837 565280052 /nfs/dbraw/zinc/28/00/52/565280052.db2.gz GLTZDLKMMSTIQJ-PXAZEXFGSA-N 1 1 380.897 3.423 20 70 GGIDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000161284729 565280280 /nfs/dbraw/zinc/28/02/80/565280280.db2.gz GLTZDLKMMSTIQJ-SJCJKPOMSA-N 1 1 380.897 3.423 20 70 GGIDMO CC[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000161323442 565282042 /nfs/dbraw/zinc/28/20/42/565282042.db2.gz ACVSUXZYQNIAHL-HNNXBMFYSA-N 1 1 383.311 3.006 20 70 GGIDMO CC[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000161323442 565282046 /nfs/dbraw/zinc/28/20/46/565282046.db2.gz ACVSUXZYQNIAHL-HNNXBMFYSA-N 1 1 383.311 3.006 20 70 GGIDMO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3ccc(Br)cc13)CC2 ZINC000161365751 565283228 /nfs/dbraw/zinc/28/32/28/565283228.db2.gz HICLEODQXLYZLK-LBPRGKRZSA-N 1 1 388.269 3.162 20 70 GGIDMO CC(C)OCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380564 565204669 /nfs/dbraw/zinc/20/46/69/565204669.db2.gz DJRGWDYPBRXUTQ-AWEZNQCLSA-N 1 1 384.318 3.310 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159413725 565205284 /nfs/dbraw/zinc/20/52/84/565205284.db2.gz AEOXKQJKVNIMSZ-MRXNPFEDSA-N 1 1 379.551 3.104 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159413725 565205292 /nfs/dbraw/zinc/20/52/92/565205292.db2.gz AEOXKQJKVNIMSZ-MRXNPFEDSA-N 1 1 379.551 3.104 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159412698 565205356 /nfs/dbraw/zinc/20/53/56/565205356.db2.gz CMVKKEHNTLKMGZ-CYBMUJFWSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159412698 565205360 /nfs/dbraw/zinc/20/53/60/565205360.db2.gz CMVKKEHNTLKMGZ-CYBMUJFWSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159413597 565205838 /nfs/dbraw/zinc/20/58/38/565205838.db2.gz AEOXKQJKVNIMSZ-INIZCTEOSA-N 1 1 379.551 3.104 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159413597 565205842 /nfs/dbraw/zinc/20/58/42/565205842.db2.gz AEOXKQJKVNIMSZ-INIZCTEOSA-N 1 1 379.551 3.104 20 70 GGIDMO Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455248 565207125 /nfs/dbraw/zinc/20/71/25/565207125.db2.gz HHPWCKHGFXKZFR-AWEZNQCLSA-N 1 1 383.539 3.005 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000159469584 565207610 /nfs/dbraw/zinc/20/76/10/565207610.db2.gz WISLGWIYQODXQL-AWEZNQCLSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000159469584 565207612 /nfs/dbraw/zinc/20/76/12/565207612.db2.gz WISLGWIYQODXQL-AWEZNQCLSA-N 1 1 382.423 3.138 20 70 GGIDMO O=C(Nc1cccnc1Br)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000159504706 565208078 /nfs/dbraw/zinc/20/80/78/565208078.db2.gz BDMOUZSADRYCML-IUODEOHRSA-N 1 1 379.302 3.325 20 70 GGIDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000159570962 565210191 /nfs/dbraw/zinc/21/01/91/565210191.db2.gz SBIKURNMTWJTOB-NSHDSACASA-N 1 1 392.668 3.159 20 70 GGIDMO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159604041 565212539 /nfs/dbraw/zinc/21/25/39/565212539.db2.gz GBNZFZRQFBRSGO-PBHICJAKSA-N 1 1 376.298 3.499 20 70 GGIDMO C[C@H](c1ccccc1Br)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159757109 565217472 /nfs/dbraw/zinc/21/74/72/565217472.db2.gz WPNVRTMVRVYQIK-CYBMUJFWSA-N 1 1 394.313 3.307 20 70 GGIDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159757109 565217475 /nfs/dbraw/zinc/21/74/75/565217475.db2.gz WPNVRTMVRVYQIK-CYBMUJFWSA-N 1 1 394.313 3.307 20 70 GGIDMO CC(C)[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000159888776 565223008 /nfs/dbraw/zinc/22/30/08/565223008.db2.gz LUHSXLDOFUCCGJ-UHFFFAOYSA-N 1 1 395.341 3.050 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(F)ccc1Br ZINC000160244128 565237404 /nfs/dbraw/zinc/23/74/04/565237404.db2.gz OMMHQFGCCWYZDK-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000160428359 565245275 /nfs/dbraw/zinc/24/52/75/565245275.db2.gz IINSIECTUISNSS-ISVAXAHUSA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000160428359 565245282 /nfs/dbraw/zinc/24/52/82/565245282.db2.gz IINSIECTUISNSS-ISVAXAHUSA-N 1 1 394.672 3.082 20 70 GGIDMO C[C@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@@H+](C)C1CC1 ZINC000160464365 565246431 /nfs/dbraw/zinc/24/64/31/565246431.db2.gz ZZWOQOAHUSJSTN-MRVPVSSYSA-N 1 1 399.713 3.003 20 70 GGIDMO C[C@@H](CNC(=O)NC(c1cccs1)c1cccs1)C[NH+]1CCOCC1 ZINC000160532153 565249440 /nfs/dbraw/zinc/24/94/40/565249440.db2.gz LNARZBYGLCZGKA-AWEZNQCLSA-N 1 1 379.551 3.167 20 70 GGIDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)n1 ZINC000160915920 565264360 /nfs/dbraw/zinc/26/43/60/565264360.db2.gz XULHQIHRQYYWOE-CZUORRHYSA-N 1 1 378.314 3.241 20 70 GGIDMO C[C@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923110 565264523 /nfs/dbraw/zinc/26/45/23/565264523.db2.gz QHKSNUXMSWUDJN-CABCVRRESA-N 1 1 395.341 3.264 20 70 GGIDMO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)sc1Cl ZINC000160985295 565267993 /nfs/dbraw/zinc/26/79/93/565267993.db2.gz BZIAXCZIRZYFKK-SECBINFHSA-N 1 1 386.304 3.121 20 70 GGIDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161043810 565270423 /nfs/dbraw/zinc/27/04/23/565270423.db2.gz AJNJAVDSPOTGOZ-UHFFFAOYSA-N 1 1 388.306 3.320 20 70 GGIDMO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3cc(Br)ccc13)CC2 ZINC000161347931 565281222 /nfs/dbraw/zinc/28/12/22/565281222.db2.gz HDIYLLLGKRLSAT-LBPRGKRZSA-N 1 1 388.269 3.162 20 70 GGIDMO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c3cc(Br)ccc13)CC2 ZINC000161347785 565282089 /nfs/dbraw/zinc/28/20/89/565282089.db2.gz HDIYLLLGKRLSAT-GFCCVEGCSA-N 1 1 388.269 3.162 20 70 GGIDMO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3c(Br)cccc13)CC2 ZINC000161359542 565282937 /nfs/dbraw/zinc/28/29/37/565282937.db2.gz FKLPPWDFBUZYEI-NSHDSACASA-N 1 1 388.269 3.162 20 70 GGIDMO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c3c(Br)cccc13)CC2 ZINC000161359410 565283094 /nfs/dbraw/zinc/28/30/94/565283094.db2.gz FKLPPWDFBUZYEI-LLVKDONJSA-N 1 1 388.269 3.162 20 70 GGIDMO C[NH+]1CCC(N[C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000161478468 565285201 /nfs/dbraw/zinc/28/52/01/565285201.db2.gz PYOWIAVZONUZGG-OAHLLOKOSA-N 1 1 386.277 3.189 20 70 GGIDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)sc1Br ZINC000159415349 565205736 /nfs/dbraw/zinc/20/57/36/565205736.db2.gz LFWNPYLOQGFVGK-GFCCVEGCSA-N 1 1 395.388 3.113 20 70 GGIDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)sc1Br ZINC000159415349 565205740 /nfs/dbraw/zinc/20/57/40/565205740.db2.gz LFWNPYLOQGFVGK-GFCCVEGCSA-N 1 1 395.388 3.113 20 70 GGIDMO O=C(Nc1cccnc1Br)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000159505108 565207635 /nfs/dbraw/zinc/20/76/35/565207635.db2.gz BDMOUZSADRYCML-WFASDCNBSA-N 1 1 379.302 3.325 20 70 GGIDMO O=C(Nc1ccc(Br)nc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000159473789 565208270 /nfs/dbraw/zinc/20/82/70/565208270.db2.gz LOBLIURWRSIYTI-SWLSCSKDSA-N 1 1 379.302 3.325 20 70 GGIDMO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C[C@H]1CCC[C@@H]1O ZINC000159559972 565209932 /nfs/dbraw/zinc/20/99/32/565209932.db2.gz OGGIQNSEZSHQBY-HIFRSBDPSA-N 1 1 380.286 3.016 20 70 GGIDMO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C[C@H]1CCC[C@@H]1O ZINC000159559972 565209935 /nfs/dbraw/zinc/20/99/35/565209935.db2.gz OGGIQNSEZSHQBY-HIFRSBDPSA-N 1 1 380.286 3.016 20 70 GGIDMO O=C(C[C@@H]1CSCCS1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000159574040 565210072 /nfs/dbraw/zinc/21/00/72/565210072.db2.gz JPWMFXYSHRKWPO-OAHLLOKOSA-N 1 1 386.533 3.284 20 70 GGIDMO COc1ccc(Br)c(CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000159551388 565210414 /nfs/dbraw/zinc/21/04/14/565210414.db2.gz HIRONYVZDGZUMY-AWEZNQCLSA-N 1 1 383.330 3.237 20 70 GGIDMO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159606883 565212974 /nfs/dbraw/zinc/21/29/74/565212974.db2.gz MICXWPHFFIQEIU-HZMBPMFUSA-N 1 1 375.694 3.134 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCc1cccc(Br)c1 ZINC000159647856 565214072 /nfs/dbraw/zinc/21/40/72/565214072.db2.gz RFCRONPPYSMGEH-UHFFFAOYSA-N 1 1 397.357 3.199 20 70 GGIDMO Cc1cc(Br)ccc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159641828 565214315 /nfs/dbraw/zinc/21/43/15/565214315.db2.gz QKAKWMQUNMWNBA-UHFFFAOYSA-N 1 1 383.330 3.188 20 70 GGIDMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)[C@H]1CCSC1 ZINC000159634019 565214413 /nfs/dbraw/zinc/21/44/13/565214413.db2.gz FXSLTAHNVMKRCC-LBPRGKRZSA-N 1 1 383.489 3.388 20 70 GGIDMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)[C@H]1CCSC1 ZINC000159634019 565214419 /nfs/dbraw/zinc/21/44/19/565214419.db2.gz FXSLTAHNVMKRCC-LBPRGKRZSA-N 1 1 383.489 3.388 20 70 GGIDMO CCc1c(NC(=O)[C@H]2CCC[NH2+]C2)[nH]nc1-c1ccc(Br)cc1 ZINC000159785010 565218162 /nfs/dbraw/zinc/21/81/62/565218162.db2.gz CSIYKFYLYXELTL-LBPRGKRZSA-N 1 1 377.286 3.340 20 70 GGIDMO C[C@@H](c1ccccc1Br)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159756985 565218223 /nfs/dbraw/zinc/21/82/23/565218223.db2.gz WPNVRTMVRVYQIK-ZDUSSCGKSA-N 1 1 394.313 3.307 20 70 GGIDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159756985 565218229 /nfs/dbraw/zinc/21/82/29/565218229.db2.gz WPNVRTMVRVYQIK-ZDUSSCGKSA-N 1 1 394.313 3.307 20 70 GGIDMO CC(=O)NC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000159870218 565220948 /nfs/dbraw/zinc/22/09/48/565220948.db2.gz PHZLDKNQCKVTRK-UHFFFAOYSA-N 1 1 378.270 3.205 20 70 GGIDMO Cc1cc(I)cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000159915881 565223736 /nfs/dbraw/zinc/22/37/36/565223736.db2.gz QWKVLUNUZIOBDC-CQSZACIVSA-N 1 1 386.277 3.074 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000159925597 565223766 /nfs/dbraw/zinc/22/37/66/565223766.db2.gz NGWWTGUSVDUMJT-GWCFXTLKSA-N 1 1 377.432 3.024 20 70 GGIDMO C[C@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000159925597 565223772 /nfs/dbraw/zinc/22/37/72/565223772.db2.gz NGWWTGUSVDUMJT-GWCFXTLKSA-N 1 1 377.432 3.024 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000160003929 565228028 /nfs/dbraw/zinc/22/80/28/565228028.db2.gz HWNSCUDMRNCDIG-CYBMUJFWSA-N 1 1 386.309 3.256 20 70 GGIDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000160047609 565228593 /nfs/dbraw/zinc/22/85/93/565228593.db2.gz DYQPUNOTVNLXIW-MLGOLLRUSA-N 1 1 388.339 3.442 20 70 GGIDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(O)c2)[C@H](C)C1 ZINC000160048445 565228837 /nfs/dbraw/zinc/22/88/37/565228837.db2.gz HADAKBJJQBPITA-CZUORRHYSA-N 1 1 399.329 3.022 20 70 GGIDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000160090206 565230415 /nfs/dbraw/zinc/23/04/15/565230415.db2.gz RKXDEEWCSIGETO-GUYCJALGSA-N 1 1 390.325 3.416 20 70 GGIDMO Cc1cc(OC(F)F)c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC000160163288 565234227 /nfs/dbraw/zinc/23/42/27/565234227.db2.gz XTZAIYOLMIEDDO-UHFFFAOYSA-N 1 1 376.469 3.088 20 70 GGIDMO CCCOC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000160225051 565236157 /nfs/dbraw/zinc/23/61/57/565236157.db2.gz GXYYOCJVVCETAC-ZDUSSCGKSA-N 1 1 397.313 3.441 20 70 GGIDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C)nc3Br)sc2C1 ZINC000160436147 565245766 /nfs/dbraw/zinc/24/57/66/565245766.db2.gz CIVBHGYTEZIFEW-UHFFFAOYSA-N 1 1 381.299 3.239 20 70 GGIDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(C)nc3Br)sc2C1 ZINC000160436147 565245770 /nfs/dbraw/zinc/24/57/70/565245770.db2.gz CIVBHGYTEZIFEW-UHFFFAOYSA-N 1 1 381.299 3.239 20 70 GGIDMO CC[N@@H+](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000160442107 565245815 /nfs/dbraw/zinc/24/58/15/565245815.db2.gz JMEHGWSEJVHEKW-UHFFFAOYSA-N 1 1 399.713 3.004 20 70 GGIDMO CCCC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160775221 565259226 /nfs/dbraw/zinc/25/92/26/565259226.db2.gz QBKLNFSFQICNIQ-AWEZNQCLSA-N 1 1 377.453 3.086 20 70 GGIDMO CCCC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160775221 565259232 /nfs/dbraw/zinc/25/92/32/565259232.db2.gz QBKLNFSFQICNIQ-AWEZNQCLSA-N 1 1 377.453 3.086 20 70 GGIDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000160771859 565259630 /nfs/dbraw/zinc/25/96/30/565259630.db2.gz SDUVYDURKJFKQC-DYVFJYSZSA-N 1 1 390.325 3.416 20 70 GGIDMO CCCC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160775101 565259647 /nfs/dbraw/zinc/25/96/47/565259647.db2.gz QBKLNFSFQICNIQ-CQSZACIVSA-N 1 1 377.453 3.086 20 70 GGIDMO CCCC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160775101 565259652 /nfs/dbraw/zinc/25/96/52/565259652.db2.gz QBKLNFSFQICNIQ-CQSZACIVSA-N 1 1 377.453 3.086 20 70 GGIDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160817571 565260520 /nfs/dbraw/zinc/26/05/20/565260520.db2.gz OSZDNACENHAYNV-AWEZNQCLSA-N 1 1 383.330 3.191 20 70 GGIDMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)n1 ZINC000160916248 565263866 /nfs/dbraw/zinc/26/38/66/565263866.db2.gz XULHQIHRQYYWOE-BBRMVZONSA-N 1 1 378.314 3.241 20 70 GGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161034959 565269908 /nfs/dbraw/zinc/26/99/08/565269908.db2.gz SMZJUFIXSNOEIM-RVKKMQEKSA-N 1 1 396.373 3.116 20 70 GGIDMO COc1cc(OC)c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1Br ZINC000161087413 565272913 /nfs/dbraw/zinc/27/29/13/565272913.db2.gz PYJWJZCXNQERTL-GFCCVEGCSA-N 1 1 398.301 3.168 20 70 GGIDMO CC[N@@H+](CCNC(=O)Nc1cc(Br)c(OC)cc1OC)C1CC1 ZINC000161123803 565273553 /nfs/dbraw/zinc/27/35/53/565273553.db2.gz RHERQYLXOGEBBC-UHFFFAOYSA-N 1 1 386.290 3.072 20 70 GGIDMO COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Br ZINC000161114127 565273683 /nfs/dbraw/zinc/27/36/83/565273683.db2.gz UBUZKGYBTORUEK-VXGBXAGGSA-N 1 1 398.301 3.167 20 70 GGIDMO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000161118368 565273900 /nfs/dbraw/zinc/27/39/00/565273900.db2.gz WJJADMBGGOAACY-BFYDXBDKSA-N 1 1 395.341 3.471 20 70 GGIDMO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000161134405 565275542 /nfs/dbraw/zinc/27/55/42/565275542.db2.gz REJQGUAAHCOJAQ-CQSZACIVSA-N 1 1 393.325 3.212 20 70 GGIDMO C[C@@H](CNC(=O)Nc1ccc(Br)c(Cl)c1)C[NH+]1CCOCC1 ZINC000161303072 565280830 /nfs/dbraw/zinc/28/08/30/565280830.db2.gz HACKHUXQQKNIHZ-NSHDSACASA-N 1 1 390.709 3.192 20 70 GGIDMO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000216738052 565896208 /nfs/dbraw/zinc/89/62/08/565896208.db2.gz SDIQWGIQKQUWJI-QGZVFWFLSA-N 1 1 377.941 3.349 20 70 GGIDMO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000216738052 565896211 /nfs/dbraw/zinc/89/62/11/565896211.db2.gz SDIQWGIQKQUWJI-QGZVFWFLSA-N 1 1 377.941 3.349 20 70 GGIDMO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000216842039 565897668 /nfs/dbraw/zinc/89/76/68/565897668.db2.gz OYBGWVKCIVXSNH-INIZCTEOSA-N 1 1 397.338 3.339 20 70 GGIDMO O[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000218751721 565900937 /nfs/dbraw/zinc/90/09/37/565900937.db2.gz ORGVUSRRXRNQDJ-MRXNPFEDSA-N 1 1 395.366 3.232 20 70 GGIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630117 719112978 /nfs/dbraw/zinc/11/29/78/719112978.db2.gz VLSXKVJJLSOCHQ-HKUYNNGSSA-N 1 1 389.496 3.149 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159416236 565205672 /nfs/dbraw/zinc/20/56/72/565205672.db2.gz DKBQFYZYRMCYJU-AWEZNQCLSA-N 1 1 385.580 3.165 20 70 GGIDMO O=C(Nc1ccc(Br)nc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000159473667 565208215 /nfs/dbraw/zinc/20/82/15/565208215.db2.gz LOBLIURWRSIYTI-DOMZBBRYSA-N 1 1 379.302 3.325 20 70 GGIDMO O=C(NCCCCSc1ccccc1Br)[C@@H]1CSC[NH2+]1 ZINC000159546303 565210591 /nfs/dbraw/zinc/21/05/91/565210591.db2.gz FTPVBHUTZLTUQF-LBPRGKRZSA-N 1 1 375.357 3.100 20 70 GGIDMO C[N@H+](CC(=O)Nc1nnc(SCc2ccccc2)s1)[C@H]1CCSC1 ZINC000159604125 565212754 /nfs/dbraw/zinc/21/27/54/565212754.db2.gz HDQXREWHXRYBPO-ZDUSSCGKSA-N 1 1 380.564 3.206 20 70 GGIDMO C[N@@H+](CC(=O)Nc1nnc(SCc2ccccc2)s1)[C@H]1CCSC1 ZINC000159604125 565212758 /nfs/dbraw/zinc/21/27/58/565212758.db2.gz HDQXREWHXRYBPO-ZDUSSCGKSA-N 1 1 380.564 3.206 20 70 GGIDMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)[C@@H]1CCSC1 ZINC000159633885 565214214 /nfs/dbraw/zinc/21/42/14/565214214.db2.gz FXSLTAHNVMKRCC-GFCCVEGCSA-N 1 1 383.489 3.388 20 70 GGIDMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)[C@@H]1CCSC1 ZINC000159633885 565214217 /nfs/dbraw/zinc/21/42/17/565214217.db2.gz FXSLTAHNVMKRCC-GFCCVEGCSA-N 1 1 383.489 3.388 20 70 GGIDMO CCC[N@H+]1CC[C@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000159846913 565220169 /nfs/dbraw/zinc/22/01/69/565220169.db2.gz OFFFVIQNMKXJJD-OAHLLOKOSA-N 1 1 388.339 3.229 20 70 GGIDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000159847064 565220312 /nfs/dbraw/zinc/22/03/12/565220312.db2.gz OFFFVIQNMKXJJD-HNNXBMFYSA-N 1 1 388.339 3.229 20 70 GGIDMO C[N@H+]1CCCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000159853261 565221344 /nfs/dbraw/zinc/22/13/44/565221344.db2.gz AHQOXUDTYUDEEM-UHFFFAOYSA-N 1 1 382.295 3.408 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000159897330 565222219 /nfs/dbraw/zinc/22/22/19/565222219.db2.gz ZEKGJGXTXCODAT-UHFFFAOYSA-N 1 1 380.330 3.218 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(Br)ccc1F ZINC000159933507 565225087 /nfs/dbraw/zinc/22/50/87/565225087.db2.gz SCHNUCCBIOSFEC-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO CCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000160224914 565236692 /nfs/dbraw/zinc/23/66/92/565236692.db2.gz GXYYOCJVVCETAC-CYBMUJFWSA-N 1 1 397.313 3.441 20 70 GGIDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@@H+](C)C1CC1 ZINC000160464227 565247012 /nfs/dbraw/zinc/24/70/12/565247012.db2.gz ZZWOQOAHUSJSTN-QMMMGPOBSA-N 1 1 399.713 3.003 20 70 GGIDMO C[C@H](CNC(=O)NC(c1cccs1)c1cccs1)C[NH+]1CCOCC1 ZINC000160532298 565249009 /nfs/dbraw/zinc/24/90/09/565249009.db2.gz LNARZBYGLCZGKA-CQSZACIVSA-N 1 1 379.551 3.167 20 70 GGIDMO CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160547552 565249172 /nfs/dbraw/zinc/24/91/72/565249172.db2.gz BHUQAMUPVMJAQL-KRWDZBQOSA-N 1 1 380.535 3.040 20 70 GGIDMO CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160547552 565249176 /nfs/dbraw/zinc/24/91/76/565249176.db2.gz BHUQAMUPVMJAQL-KRWDZBQOSA-N 1 1 380.535 3.040 20 70 GGIDMO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)sc1Cl ZINC000160985179 565267385 /nfs/dbraw/zinc/26/73/85/565267385.db2.gz BZIAXCZIRZYFKK-VIFPVBQESA-N 1 1 386.304 3.121 20 70 GGIDMO CCN1CC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000161033198 565270019 /nfs/dbraw/zinc/27/00/19/565270019.db2.gz ZWVMJQAVYRKUTI-QAPCUYQASA-N 1 1 396.373 3.118 20 70 GGIDMO CCN1CC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000161033361 565270316 /nfs/dbraw/zinc/27/03/16/565270316.db2.gz ZWVMJQAVYRKUTI-CRAIPNDOSA-N 1 1 396.373 3.118 20 70 GGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161034729 565270560 /nfs/dbraw/zinc/27/05/60/565270560.db2.gz SMZJUFIXSNOEIM-VKJFTORMSA-N 1 1 396.373 3.116 20 70 GGIDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(OC)ccc1Br ZINC000161058873 565270965 /nfs/dbraw/zinc/27/09/65/565270965.db2.gz UOKPMQMLWFEOPF-CABCVRRESA-N 1 1 381.314 3.085 20 70 GGIDMO Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000161117476 565274014 /nfs/dbraw/zinc/27/40/14/565274014.db2.gz SMIWBTACWYMHOV-BZUAXINKSA-N 1 1 395.341 3.471 20 70 GGIDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161265991 565278954 /nfs/dbraw/zinc/27/89/54/565278954.db2.gz CRGGLGXLEVNUHY-UHFFFAOYSA-N 1 1 390.709 3.289 20 70 GGIDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161375904 565282404 /nfs/dbraw/zinc/28/24/04/565282404.db2.gz CRBPUNDGDGPIJB-UHFFFAOYSA-N 1 1 378.698 3.192 20 70 GGIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630119 719113355 /nfs/dbraw/zinc/11/33/55/719113355.db2.gz VLSXKVJJLSOCHQ-MJGOQNOKSA-N 1 1 389.496 3.149 20 70 GGIDMO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159384712 565204293 /nfs/dbraw/zinc/20/42/93/565204293.db2.gz RWFHZCQXTYAPGS-ZDUSSCGKSA-N 1 1 383.945 3.095 20 70 GGIDMO CC(C)OCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380705 565204322 /nfs/dbraw/zinc/20/43/22/565204322.db2.gz DJRGWDYPBRXUTQ-CQSZACIVSA-N 1 1 384.318 3.310 20 70 GGIDMO Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455102 565206628 /nfs/dbraw/zinc/20/66/28/565206628.db2.gz HHPWCKHGFXKZFR-CQSZACIVSA-N 1 1 383.539 3.005 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159431517 565207177 /nfs/dbraw/zinc/20/71/77/565207177.db2.gz YURKHICPBOAWAF-HNNXBMFYSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159431517 565207179 /nfs/dbraw/zinc/20/71/79/565207179.db2.gz YURKHICPBOAWAF-HNNXBMFYSA-N 1 1 382.423 3.138 20 70 GGIDMO O=C(Nc1ccc(Br)nc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000159473550 565207964 /nfs/dbraw/zinc/20/79/64/565207964.db2.gz LOBLIURWRSIYTI-IUODEOHRSA-N 1 1 379.302 3.325 20 70 GGIDMO COc1ccc(Br)c(CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000159551204 565210034 /nfs/dbraw/zinc/21/00/34/565210034.db2.gz HIRONYVZDGZUMY-CQSZACIVSA-N 1 1 383.330 3.237 20 70 GGIDMO C[N@@H+](CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1CCSC1 ZINC000159599618 565211819 /nfs/dbraw/zinc/21/18/19/565211819.db2.gz ZGPABIJXSQVVCW-HNNXBMFYSA-N 1 1 383.355 3.034 20 70 GGIDMO CCCOc1c(Br)cc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159823341 565220702 /nfs/dbraw/zinc/22/07/02/565220702.db2.gz KAZPLCBYKIKXIK-UHFFFAOYSA-N 1 1 399.329 3.334 20 70 GGIDMO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(Br)c1 ZINC000160016592 565227387 /nfs/dbraw/zinc/22/73/87/565227387.db2.gz KUFJWPZJDCDHSV-UHFFFAOYSA-N 1 1 397.338 3.298 20 70 GGIDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Br)c(O)c2)[C@H](C)C1 ZINC000160048302 565229140 /nfs/dbraw/zinc/22/91/40/565229140.db2.gz HADAKBJJQBPITA-CJNGLKHVSA-N 1 1 399.329 3.022 20 70 GGIDMO COc1ccc(Br)c(CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000160084053 565230160 /nfs/dbraw/zinc/23/01/60/565230160.db2.gz YTVWWMGKNQXKFW-CQSZACIVSA-N 1 1 381.314 3.133 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(F)cc(Br)c1 ZINC000160218366 565235895 /nfs/dbraw/zinc/23/58/95/565235895.db2.gz VNJPMDQKYGANDV-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1F ZINC000160285585 565238446 /nfs/dbraw/zinc/23/84/46/565238446.db2.gz RQYQEKWIENFZLO-UHFFFAOYSA-N 1 1 387.293 3.019 20 70 GGIDMO C[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[N@H+]1CCC[C@H](C)C1 ZINC000160269386 565238899 /nfs/dbraw/zinc/23/88/99/565238899.db2.gz NIQCMFCSEOFLAZ-KBPBESRZSA-N 1 1 385.350 3.049 20 70 GGIDMO Cc1ccc(NCCCNC(=O)N(C)Cc2cc(Br)cn2C)[nH+]c1 ZINC000160507985 565247884 /nfs/dbraw/zinc/24/78/84/565247884.db2.gz CTONSNZYQIATNG-UHFFFAOYSA-N 1 1 394.317 3.135 20 70 GGIDMO COc1ccc(Br)c(CC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000160664169 565255007 /nfs/dbraw/zinc/25/50/07/565255007.db2.gz IRTSOVUTRJKGKQ-UHFFFAOYSA-N 1 1 380.286 3.102 20 70 GGIDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160745075 565257684 /nfs/dbraw/zinc/25/76/84/565257684.db2.gz FAPWTYMDMIBVMQ-CABCVRRESA-N 1 1 379.287 3.359 20 70 GGIDMO COc1cc(C[N@H+](C)Cc2ccccc2Cl)cc(Cl)c1OCC(N)=O ZINC000160817669 565260451 /nfs/dbraw/zinc/26/04/51/565260451.db2.gz LNSZOFDRLOXUGH-UHFFFAOYSA-N 1 1 383.275 3.498 20 70 GGIDMO COc1cc(C[N@@H+](C)Cc2ccccc2Cl)cc(Cl)c1OCC(N)=O ZINC000160817669 565260456 /nfs/dbraw/zinc/26/04/56/565260456.db2.gz LNSZOFDRLOXUGH-UHFFFAOYSA-N 1 1 383.275 3.498 20 70 GGIDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841300 565261489 /nfs/dbraw/zinc/26/14/89/565261489.db2.gz NIQFRCXITWZAKD-AGIUHOORSA-N 1 1 381.314 3.496 20 70 GGIDMO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841300 565261493 /nfs/dbraw/zinc/26/14/93/565261493.db2.gz NIQFRCXITWZAKD-AGIUHOORSA-N 1 1 381.314 3.496 20 70 GGIDMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841694 565262260 /nfs/dbraw/zinc/26/22/60/565262260.db2.gz NIQFRCXITWZAKD-RWMBFGLXSA-N 1 1 381.314 3.496 20 70 GGIDMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000160841694 565262263 /nfs/dbraw/zinc/26/22/63/565262263.db2.gz NIQFRCXITWZAKD-RWMBFGLXSA-N 1 1 381.314 3.496 20 70 GGIDMO CCc1cc(=O)[nH]c(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)n1 ZINC000160984310 565267678 /nfs/dbraw/zinc/26/76/78/565267678.db2.gz IJSCMMCQYPENQS-UHFFFAOYSA-N 1 1 392.297 3.303 20 70 GGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161034588 565270127 /nfs/dbraw/zinc/27/01/27/565270127.db2.gz SMZJUFIXSNOEIM-RKVPGOIHSA-N 1 1 396.373 3.116 20 70 GGIDMO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1Br ZINC000161069431 565271750 /nfs/dbraw/zinc/27/17/50/565271750.db2.gz ZKRGIWWBNAIMJK-NWDGAFQWSA-N 1 1 398.301 3.167 20 70 GGIDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161106587 565273714 /nfs/dbraw/zinc/27/37/14/565273714.db2.gz AFGZYIAQXBRLHV-LLVKDONJSA-N 1 1 384.860 3.172 20 70 GGIDMO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000161134285 565275402 /nfs/dbraw/zinc/27/54/02/565275402.db2.gz REJQGUAAHCOJAQ-AWEZNQCLSA-N 1 1 393.325 3.212 20 70 GGIDMO CC(=O)Nc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1 ZINC000161171898 565276915 /nfs/dbraw/zinc/27/69/15/565276915.db2.gz DLQARLSPSKEISP-UHFFFAOYSA-N 1 1 390.281 3.478 20 70 GGIDMO CC(=O)Nc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1 ZINC000161171898 565276918 /nfs/dbraw/zinc/27/69/18/565276918.db2.gz DLQARLSPSKEISP-UHFFFAOYSA-N 1 1 390.281 3.478 20 70 GGIDMO Cc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)sc1Br ZINC000159415502 565205053 /nfs/dbraw/zinc/20/50/53/565205053.db2.gz LFWNPYLOQGFVGK-LBPRGKRZSA-N 1 1 395.388 3.113 20 70 GGIDMO Cc1cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)sc1Br ZINC000159415502 565205056 /nfs/dbraw/zinc/20/50/56/565205056.db2.gz LFWNPYLOQGFVGK-LBPRGKRZSA-N 1 1 395.388 3.113 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159431623 565206305 /nfs/dbraw/zinc/20/63/05/565206305.db2.gz YURKHICPBOAWAF-OAHLLOKOSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159431623 565206310 /nfs/dbraw/zinc/20/63/10/565206310.db2.gz YURKHICPBOAWAF-OAHLLOKOSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159430628 565206328 /nfs/dbraw/zinc/20/63/28/565206328.db2.gz WEFUJNCROGOORI-ZDUSSCGKSA-N 1 1 385.580 3.165 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000159469737 565208058 /nfs/dbraw/zinc/20/80/58/565208058.db2.gz WISLGWIYQODXQL-CQSZACIVSA-N 1 1 382.423 3.138 20 70 GGIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000159469737 565208062 /nfs/dbraw/zinc/20/80/62/565208062.db2.gz WISLGWIYQODXQL-CQSZACIVSA-N 1 1 382.423 3.138 20 70 GGIDMO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159603914 565212794 /nfs/dbraw/zinc/21/27/94/565212794.db2.gz GBNZFZRQFBRSGO-YOEHRIQHSA-N 1 1 376.298 3.499 20 70 GGIDMO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159607031 565212943 /nfs/dbraw/zinc/21/29/43/565212943.db2.gz MICXWPHFFIQEIU-YGRLFVJLSA-N 1 1 375.694 3.134 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCc1ccccc1Br ZINC000159641265 565214450 /nfs/dbraw/zinc/21/44/50/565214450.db2.gz AEMNYGXUWONCBJ-UHFFFAOYSA-N 1 1 397.357 3.199 20 70 GGIDMO CCc1c(NC(=O)[C@@H]2CCC[NH2+]C2)[nH]nc1-c1ccc(Br)cc1 ZINC000159784882 565218298 /nfs/dbraw/zinc/21/82/98/565218298.db2.gz CSIYKFYLYXELTL-GFCCVEGCSA-N 1 1 377.286 3.340 20 70 GGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1csc(-c2cccs2)n1 ZINC000159813808 565219067 /nfs/dbraw/zinc/21/90/67/565219067.db2.gz FZGPUIUKXAHXRS-UHFFFAOYSA-N 1 1 379.551 3.302 20 70 GGIDMO COc1ccc(CSCC[NH+]2CCOCC2)c(Br)c1OC ZINC000159810861 565219308 /nfs/dbraw/zinc/21/93/08/565219308.db2.gz BJPMEVQQYOGDBD-UHFFFAOYSA-N 1 1 376.316 3.032 20 70 GGIDMO C[C@]([NH2+]Cc1cc(Br)cc2cccnc21)(C(N)=O)c1ccccc1 ZINC000159832638 565220069 /nfs/dbraw/zinc/22/00/69/565220069.db2.gz KVAGCFFBADUNAO-LJQANCHMSA-N 1 1 384.277 3.488 20 70 GGIDMO C[C@@]([NH2+]Cc1cc(Br)cc2cccnc21)(C(N)=O)c1ccccc1 ZINC000159832782 565220719 /nfs/dbraw/zinc/22/07/19/565220719.db2.gz KVAGCFFBADUNAO-IBGZPJMESA-N 1 1 384.277 3.488 20 70 GGIDMO C[C@@H](CNC(=O)NCc1nc(C2CC2)cs1)[N@@H+]1CCc2sccc2C1 ZINC000159861735 565221778 /nfs/dbraw/zinc/22/17/78/565221778.db2.gz BWKYREJZVUKHRY-LBPRGKRZSA-N 1 1 376.551 3.328 20 70 GGIDMO C[C@@H](CNC(=O)NCc1nc(C2CC2)cs1)[N@H+]1CCc2sccc2C1 ZINC000159861735 565221782 /nfs/dbraw/zinc/22/17/82/565221782.db2.gz BWKYREJZVUKHRY-LBPRGKRZSA-N 1 1 376.551 3.328 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000159926010 565225247 /nfs/dbraw/zinc/22/52/47/565225247.db2.gz NGWWTGUSVDUMJT-ZWNOBZJWSA-N 1 1 377.432 3.024 20 70 GGIDMO C[C@@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000159926010 565225251 /nfs/dbraw/zinc/22/52/51/565225251.db2.gz NGWWTGUSVDUMJT-ZWNOBZJWSA-N 1 1 377.432 3.024 20 70 GGIDMO CC(C)CSCCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000160031297 565227695 /nfs/dbraw/zinc/22/76/95/565227695.db2.gz WBIYLUNZCWNMCU-CQSZACIVSA-N 1 1 377.323 3.484 20 70 GGIDMO C[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000160269280 565238384 /nfs/dbraw/zinc/23/83/84/565238384.db2.gz NIQCMFCSEOFLAZ-KGLIPLIRSA-N 1 1 385.350 3.049 20 70 GGIDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160397856 565244026 /nfs/dbraw/zinc/24/40/26/565244026.db2.gz GOTLPNKFZJPNCX-HNNXBMFYSA-N 1 1 399.377 3.441 20 70 GGIDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160744937 565257746 /nfs/dbraw/zinc/25/77/46/565257746.db2.gz FAPWTYMDMIBVMQ-HUUCEWRRSA-N 1 1 379.287 3.359 20 70 GGIDMO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(Br)cc1 ZINC000160797400 565258987 /nfs/dbraw/zinc/25/89/87/565258987.db2.gz YFSCKNHCVNAMAN-UHFFFAOYSA-N 1 1 382.327 3.374 20 70 GGIDMO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(Br)cc1 ZINC000160797400 565258990 /nfs/dbraw/zinc/25/89/90/565258990.db2.gz YFSCKNHCVNAMAN-UHFFFAOYSA-N 1 1 382.327 3.374 20 70 GGIDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000160771742 565259811 /nfs/dbraw/zinc/25/98/11/565259811.db2.gz SDUVYDURKJFKQC-CXAGYDPISA-N 1 1 390.325 3.416 20 70 GGIDMO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccc(Br)cc2)c1C ZINC000160799716 565260796 /nfs/dbraw/zinc/26/07/96/565260796.db2.gz ZXQYCWAUUMXQRD-UHFFFAOYSA-N 1 1 394.313 3.458 20 70 GGIDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)n1 ZINC000160916018 565263877 /nfs/dbraw/zinc/26/38/77/565263877.db2.gz XULHQIHRQYYWOE-CJNGLKHVSA-N 1 1 378.314 3.241 20 70 GGIDMO CC[N@H+]1CCCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000161046227 565269710 /nfs/dbraw/zinc/26/97/10/565269710.db2.gz MNPVRASNTVZBJW-UHFFFAOYSA-N 1 1 386.290 3.026 20 70 GGIDMO CC(C)N1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000161041426 565270449 /nfs/dbraw/zinc/27/04/49/565270449.db2.gz MICMEFMKSIULGT-UHFFFAOYSA-N 1 1 396.373 3.260 20 70 GGIDMO Cc1cccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000161117226 565273845 /nfs/dbraw/zinc/27/38/45/565273845.db2.gz SMIWBTACWYMHOV-OWCLPIDISA-N 1 1 395.341 3.471 20 70 GGIDMO Cc1cccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000161117226 565273848 /nfs/dbraw/zinc/27/38/48/565273848.db2.gz SMIWBTACWYMHOV-OWCLPIDISA-N 1 1 395.341 3.471 20 70 GGIDMO COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000161114237 565273937 /nfs/dbraw/zinc/27/39/37/565273937.db2.gz UBUZKGYBTORUEK-NWDGAFQWSA-N 1 1 398.301 3.167 20 70 GGIDMO Cc1cc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000161118248 565274099 /nfs/dbraw/zinc/27/40/99/565274099.db2.gz WJJADMBGGOAACY-UXLLHSPISA-N 1 1 395.341 3.471 20 70 GGIDMO Cc1cc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000161118248 565274102 /nfs/dbraw/zinc/27/41/02/565274102.db2.gz WJJADMBGGOAACY-UXLLHSPISA-N 1 1 395.341 3.471 20 70 GGIDMO COc1cc(C[N@@H+](C)Cc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O ZINC000161129002 565275145 /nfs/dbraw/zinc/27/51/45/565275145.db2.gz BSHOBSXYIKQREQ-UHFFFAOYSA-N 1 1 383.275 3.498 20 70 GGIDMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140043 565275238 /nfs/dbraw/zinc/27/52/38/565275238.db2.gz BMHGARYCKSXYHC-DNVCBOLYSA-N 1 1 385.335 3.279 20 70 GGIDMO CN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000161139567 565275319 /nfs/dbraw/zinc/27/53/19/565275319.db2.gz ARPWCLYQTYLLNW-UHFFFAOYSA-N 1 1 380.323 3.167 20 70 GGIDMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140172 565275338 /nfs/dbraw/zinc/27/53/38/565275338.db2.gz BMHGARYCKSXYHC-BEFAXECRSA-N 1 1 385.335 3.279 20 70 GGIDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161252689 565278873 /nfs/dbraw/zinc/27/88/73/565278873.db2.gz SDDRLNIFZPTBGO-UHFFFAOYSA-N 1 1 378.698 3.192 20 70 GGIDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000161284451 565279239 /nfs/dbraw/zinc/27/92/39/565279239.db2.gz GLTZDLKMMSTIQJ-YVEFUNNKSA-N 1 1 380.897 3.423 20 70 GGIDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000161284592 565279292 /nfs/dbraw/zinc/27/92/92/565279292.db2.gz GLTZDLKMMSTIQJ-SJKOYZFVSA-N 1 1 380.897 3.423 20 70 GGIDMO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c3ccc(Br)cc13)CC2 ZINC000161365610 565283251 /nfs/dbraw/zinc/28/32/51/565283251.db2.gz HICLEODQXLYZLK-GFCCVEGCSA-N 1 1 388.269 3.162 20 70 GGIDMO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000216842072 565897297 /nfs/dbraw/zinc/89/72/97/565897297.db2.gz OYBGWVKCIVXSNH-MRXNPFEDSA-N 1 1 397.338 3.339 20 70 GGIDMO O[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000218751674 565901010 /nfs/dbraw/zinc/90/10/10/565901010.db2.gz ORGVUSRRXRNQDJ-INIZCTEOSA-N 1 1 395.366 3.232 20 70 GGIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630118 719112821 /nfs/dbraw/zinc/11/28/21/719112821.db2.gz VLSXKVJJLSOCHQ-IEBWSBKVSA-N 1 1 389.496 3.149 20 70 GGIDMO