smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179617766 532238144 /nfs/dbraw/zinc/23/81/44/532238144.db2.gz WLVUFNVSTCPJQI-UHFFFAOYSA-N 0 1 385.873 2.157 20 10 GECDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000184680291 532334678 /nfs/dbraw/zinc/33/46/78/532334678.db2.gz YEEOGKKYKAWMSQ-CQSZACIVSA-N 0 1 376.906 2.348 20 10 GECDMN CCN(C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1)S(C)(=O)=O ZINC000184691746 532334683 /nfs/dbraw/zinc/33/46/83/532334683.db2.gz SKJXUFUPJSHFRL-UHFFFAOYSA-N 0 1 376.906 2.300 20 10 GECDMN CN(CC[N@@H+](C)Cc1cccc(Cl)c1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000295087534 532402038 /nfs/dbraw/zinc/40/20/38/532402038.db2.gz RCNGRSRKCUMMAZ-UHFFFAOYSA-N 0 1 383.901 2.261 20 10 GECDMN CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Br)ccc1[O-] ZINC000192753845 532409428 /nfs/dbraw/zinc/40/94/28/532409428.db2.gz KVHPZFIUPVVJNJ-HNNXBMFYSA-N 0 1 384.318 2.406 20 10 GECDMN NC(=O)CC1C[NH+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000297347596 532582826 /nfs/dbraw/zinc/58/28/26/532582826.db2.gz GDVSPUVJOOOTFC-UHFFFAOYSA-N 0 1 378.064 2.224 20 10 GECDMN CC(=O)NC1CN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000297410700 532588350 /nfs/dbraw/zinc/58/83/50/532588350.db2.gz LJNHECJLKGECPV-UHFFFAOYSA-N 0 1 378.064 2.238 20 10 GECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000378150006 532681935 /nfs/dbraw/zinc/68/19/35/532681935.db2.gz KXIRRGYVCNRSFT-QGZVFWFLSA-N 0 1 385.302 2.126 20 10 GECDMN COc1cc(Cl)cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289621479 532861093 /nfs/dbraw/zinc/86/10/93/532861093.db2.gz WJUIZLYLRCJZGA-GFCCVEGCSA-N 0 1 376.906 2.158 20 10 GECDMN CCN1CCN(c2ccc(CNc3ncccc3-c3nn[nH]n3)cc2F)CC1 ZINC000736570570 598389246 /nfs/dbraw/zinc/38/92/46/598389246.db2.gz ZDCDAMGOQZKXMT-UHFFFAOYSA-N 0 1 382.447 2.155 20 10 GECDMN C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737517102 600168416 /nfs/dbraw/zinc/16/84/16/600168416.db2.gz HQBOVGKQCCIVDP-DBWMJRBXSA-N 0 1 388.468 2.299 20 10 GECDMN Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000738911466 600214213 /nfs/dbraw/zinc/21/42/13/600214213.db2.gz RHMZEQCABKZMNX-FNORWQNLSA-N 0 1 399.451 2.365 20 10 GECDMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736942281 600226547 /nfs/dbraw/zinc/22/65/47/600226547.db2.gz APMAGLDNNIDBJI-UABRLCRWSA-N 0 1 399.451 2.490 20 10 GECDMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc(C(=O)[O-])c1 ZINC000737659876 600313316 /nfs/dbraw/zinc/31/33/16/600313316.db2.gz KMUAEWGYKALNQY-LBPRGKRZSA-N 0 1 386.404 2.336 20 10 GECDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000737514843 600389179 /nfs/dbraw/zinc/38/91/79/600389179.db2.gz NTVXILGGASVLOV-YXMMZVCTSA-N 0 1 388.468 2.297 20 10 GECDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000737514843 600389182 /nfs/dbraw/zinc/38/91/82/600389182.db2.gz NTVXILGGASVLOV-YXMMZVCTSA-N 0 1 388.468 2.297 20 10 GECDMN CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000830974647 601379247 /nfs/dbraw/zinc/37/92/47/601379247.db2.gz DJUGIXRVKWZBBE-ZDUSSCGKSA-N 0 1 385.464 2.289 20 10 GECDMN CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000830974647 601379249 /nfs/dbraw/zinc/37/92/49/601379249.db2.gz DJUGIXRVKWZBBE-ZDUSSCGKSA-N 0 1 385.464 2.289 20 10 GECDMN CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000829161598 604781444 /nfs/dbraw/zinc/78/14/44/604781444.db2.gz OKLBIAFMYWHCRP-CLUARGJDSA-N 0 1 375.425 2.240 20 10 GECDMN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)nn1 ZINC000761225708 652637255 /nfs/dbraw/zinc/63/72/55/652637255.db2.gz HEKSTPHGQFEVKG-LBPRGKRZSA-N 0 1 395.257 2.288 20 10 GECDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000766047525 652863224 /nfs/dbraw/zinc/86/32/24/652863224.db2.gz KWAOCDAJHYQZQV-UHFFFAOYSA-N 0 1 383.447 2.108 20 10 GECDMN CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218876 653331355 /nfs/dbraw/zinc/33/13/55/653331355.db2.gz DYLLNPLRPQWYGI-ZDUSSCGKSA-N 0 1 381.416 2.391 20 10 GECDMN CCCS(=O)(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858097696 653347984 /nfs/dbraw/zinc/34/79/84/653347984.db2.gz WBBWLAKUXGEDPG-UHFFFAOYSA-N 0 1 391.331 2.449 20 10 GECDMN O=C(CCC(=O)N1CCC(O)CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683076 653610643 /nfs/dbraw/zinc/61/06/43/653610643.db2.gz SDWOYZZIAMBYPU-UHFFFAOYSA-N 0 1 375.252 2.079 20 10 GECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000878151476 653630241 /nfs/dbraw/zinc/63/02/41/653630241.db2.gz BGLVRFHYEOMEDA-OAHLLOKOSA-N 0 1 388.302 2.269 20 10 GECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000878151476 653630245 /nfs/dbraw/zinc/63/02/45/653630245.db2.gz BGLVRFHYEOMEDA-OAHLLOKOSA-N 0 1 388.302 2.269 20 10 GECDMN CN(C1CCN(Cc2c(O)cccc2Br)CC1)S(C)(=O)=O ZINC000862234743 653680601 /nfs/dbraw/zinc/68/06/01/653680601.db2.gz YWDFRNPWMDSAHB-UHFFFAOYSA-N 0 1 377.304 2.011 20 10 GECDMN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816591963 653688343 /nfs/dbraw/zinc/68/83/43/653688343.db2.gz SOIRKVLNYRVMJH-ZDUSSCGKSA-N 0 1 394.896 2.057 20 10 GECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000840908715 653700430 /nfs/dbraw/zinc/70/04/30/653700430.db2.gz YVVVYWCNXLJIRI-NSHDSACASA-N 0 1 375.899 2.340 20 10 GECDMN CC(=O)NCC[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000843427566 653786881 /nfs/dbraw/zinc/78/68/81/653786881.db2.gz HDLOLPGMPNKUEE-UHFFFAOYSA-N 0 1 380.080 2.485 20 10 GECDMN CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1cc(Br)ccc1[O-] ZINC000866441109 653795939 /nfs/dbraw/zinc/79/59/39/653795939.db2.gz WUURZEMEKJVEHS-OUJBWJOFSA-N 0 1 387.274 2.262 20 10 GECDMN CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1[O-] ZINC000866520939 653800392 /nfs/dbraw/zinc/80/03/92/653800392.db2.gz JALWYPQUUVQYHM-BBRMVZONSA-N 0 1 385.258 2.417 20 10 GECDMN CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1[O-] ZINC000866520942 653800457 /nfs/dbraw/zinc/80/04/57/653800457.db2.gz JALWYPQUUVQYHM-CJNGLKHVSA-N 0 1 385.258 2.417 20 10 GECDMN C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000895327847 653827891 /nfs/dbraw/zinc/82/78/91/653827891.db2.gz DNSMVGFLFDCXCQ-ZWNOBZJWSA-N 0 1 395.091 2.235 20 10 GECDMN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000895327847 653827894 /nfs/dbraw/zinc/82/78/94/653827894.db2.gz DNSMVGFLFDCXCQ-ZWNOBZJWSA-N 0 1 395.091 2.235 20 10 GECDMN O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1[O-])NCc1ccccc1 ZINC000825159457 653919248 /nfs/dbraw/zinc/91/92/48/653919248.db2.gz BUFUENPFZHKSHY-UHFFFAOYSA-N 0 1 399.310 2.364 20 10 GECDMN C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1c([O-])cccc1Cl ZINC000825284611 653923915 /nfs/dbraw/zinc/92/39/15/653923915.db2.gz SMDKOMPWUJMISZ-UHFFFAOYSA-N 0 1 388.848 2.343 20 10 GECDMN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1c([O-])cccc1Cl ZINC000825284611 653923921 /nfs/dbraw/zinc/92/39/21/653923921.db2.gz SMDKOMPWUJMISZ-UHFFFAOYSA-N 0 1 388.848 2.343 20 10 GECDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897605448 653930012 /nfs/dbraw/zinc/93/00/12/653930012.db2.gz DJCSCBWYJGSYGN-SCZZXKLOSA-N 0 1 397.722 2.165 20 10 GECDMN CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)n2nnnc2N1C ZINC000848079999 653958432 /nfs/dbraw/zinc/95/84/32/653958432.db2.gz UEGVPSSOTDHMMN-MRVPVSSYSA-N 0 1 383.239 2.287 20 10 GECDMN CN1CCN(c2ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000918912099 654165817 /nfs/dbraw/zinc/16/58/17/654165817.db2.gz BZZKVSOPHRNUPW-AWEZNQCLSA-N 0 1 394.730 2.176 20 10 GECDMN C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(N2CCCCC2)cc1 ZINC000903229540 654229641 /nfs/dbraw/zinc/22/96/41/654229641.db2.gz ITQMFSNCCOHVKF-OAHLLOKOSA-N 0 1 387.571 2.385 20 10 GECDMN CC(C)(C)n1cc(C[NH2+]Cc2c([O-])cccc2Br)c(=O)[nH]c1=O ZINC000922495736 654397771 /nfs/dbraw/zinc/39/77/71/654397771.db2.gz AFVBDSFLDLYKGL-UHFFFAOYSA-N 0 1 382.258 2.462 20 10 GECDMN CC(C)(C)n1cc(CNCc2c(O)cccc2Br)c(=O)[nH]c1=O ZINC000922495736 654397773 /nfs/dbraw/zinc/39/77/73/654397773.db2.gz AFVBDSFLDLYKGL-UHFFFAOYSA-N 0 1 382.258 2.462 20 10 GECDMN CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000922523631 654399791 /nfs/dbraw/zinc/39/97/91/654399791.db2.gz APTDITMNZWZBRG-PBHICJAKSA-N 0 1 393.285 2.481 20 10 GECDMN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(F)c1O ZINC000894415399 654473520 /nfs/dbraw/zinc/47/35/20/654473520.db2.gz LNYQDYHFIGTLCV-AAEUAGOBSA-N 0 1 376.222 2.446 20 10 GECDMN CC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000925789971 654550068 /nfs/dbraw/zinc/55/00/68/654550068.db2.gz ZDLKVGLSVAUNPV-JSGCOSHPSA-N 0 1 380.432 2.228 20 10 GECDMN C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186019733 532339566 /nfs/dbraw/zinc/33/95/66/532339566.db2.gz ZTJOGQMODURUKS-JSGCOSHPSA-N 0 1 376.906 2.185 20 10 GECDMN C[NH+](C)CCn1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000297567959 532597331 /nfs/dbraw/zinc/59/73/31/532597331.db2.gz XXMAMHVNNVISND-UHFFFAOYSA-N 0 1 382.262 2.235 20 10 GECDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000275164705 532866850 /nfs/dbraw/zinc/86/68/50/532866850.db2.gz ZXJZHXYMOGYNNA-QMMMGPOBSA-N 0 1 381.738 2.454 20 10 GECDMN CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000367971424 532928936 /nfs/dbraw/zinc/92/89/36/532928936.db2.gz ARSICSVBJRFCEK-UHFFFAOYSA-N 0 1 382.313 2.013 20 10 GECDMN CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000367971424 532928937 /nfs/dbraw/zinc/92/89/37/532928937.db2.gz ARSICSVBJRFCEK-UHFFFAOYSA-N 0 1 382.313 2.013 20 10 GECDMN C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000368316109 532931436 /nfs/dbraw/zinc/93/14/36/532931436.db2.gz FBVLRHQVZBBBSL-GXFFZTMASA-N 0 1 379.258 2.344 20 10 GECDMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000822761350 599456946 /nfs/dbraw/zinc/45/69/46/599456946.db2.gz JSUZEYNZHIEVFO-UHFFFAOYSA-N 0 1 386.406 2.271 20 10 GECDMN O=C([O-])/C=C\c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000739623881 600240266 /nfs/dbraw/zinc/24/02/66/600240266.db2.gz GYAPTECWFOHULK-GMNBZTITSA-N 0 1 375.425 2.384 20 10 GECDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000737514840 600388912 /nfs/dbraw/zinc/38/89/12/600388912.db2.gz NTVXILGGASVLOV-XQDHMALISA-N 0 1 388.468 2.297 20 10 GECDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000737514840 600388916 /nfs/dbraw/zinc/38/89/16/600388916.db2.gz NTVXILGGASVLOV-XQDHMALISA-N 0 1 388.468 2.297 20 10 GECDMN CN(C)c1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)NC(=O)[O-])cc1 ZINC000828056681 603030799 /nfs/dbraw/zinc/03/07/99/603030799.db2.gz UPKNJTRBGSQTGW-MOPGFXCFSA-N 0 1 384.480 2.480 20 10 GECDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000825254710 604168601 /nfs/dbraw/zinc/16/86/01/604168601.db2.gz OEVTZJMDUQCYAI-NVXWUHKLSA-N 0 1 376.501 2.079 20 10 GECDMN O=C([O-])N1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000831591690 605522475 /nfs/dbraw/zinc/52/24/75/605522475.db2.gz MDGHWPQNUTYRFA-SWLSCSKDSA-N 0 1 381.860 2.126 20 10 GECDMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000834027682 605593448 /nfs/dbraw/zinc/59/34/48/605593448.db2.gz PCMQGRAEKXNHRF-BBRMVZONSA-N 0 1 379.432 2.002 20 10 GECDMN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1=S=C(c2nn[nH]n2)C=C1 ZINC000823299487 606512419 /nfs/dbraw/zinc/51/24/19/606512419.db2.gz ZITMGGYMQKFENP-UHFFFAOYSA-N 0 1 391.460 2.034 20 10 GECDMN CCN1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C[C@@H]1C ZINC000825460051 607825771 /nfs/dbraw/zinc/82/57/71/607825771.db2.gz QZZRQVPQDMMYLW-HNNXBMFYSA-N 0 1 393.495 2.440 20 10 GECDMN CCN(CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000185088068 645034430 /nfs/dbraw/zinc/03/44/30/645034430.db2.gz ZSAIQAORKOXYNJ-LLVKDONJSA-N 0 1 379.320 2.477 20 10 GECDMN NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271998101 646247464 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C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000903291310 654232909 /nfs/dbraw/zinc/23/29/09/654232909.db2.gz WADUZEUEILLXDR-LLVKDONJSA-N 0 1 377.304 2.231 20 10 GECDMN O=C([C@H]1CCCO1)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893892350 654429441 /nfs/dbraw/zinc/42/94/41/654429441.db2.gz OANCCLKLHXBRJE-CQSZACIVSA-N 0 1 387.249 2.117 20 10 GECDMN C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893901500 654429857 /nfs/dbraw/zinc/42/98/57/654429857.db2.gz PBPQPSVKTWFCKQ-UHFFFAOYSA-N 0 1 377.666 2.099 20 10 GECDMN CC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000925789970 654550146 /nfs/dbraw/zinc/55/01/46/654550146.db2.gz ZDLKVGLSVAUNPV-GXTWGEPZSA-N 0 1 380.432 2.228 20 10 GECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174425806 532064853 /nfs/dbraw/zinc/06/48/53/532064853.db2.gz OUBIOJZOSKKKQY-CQSZACIVSA-N 0 1 399.245 2.142 20 10 GECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174425806 532064856 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MERIMLUVFHYIHU-HNNXBMFYSA-N 0 1 398.345 2.041 20 10 GECDMN O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1)N1CCOCC1 ZINC000824548209 653901385 /nfs/dbraw/zinc/90/13/85/653901385.db2.gz JWVQOQVBYYIMKE-CQSZACIVSA-N 0 1 383.286 2.226 20 10 GECDMN O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1)N1CCOCC1 ZINC000824548209 653901388 /nfs/dbraw/zinc/90/13/88/653901388.db2.gz JWVQOQVBYYIMKE-CQSZACIVSA-N 0 1 383.286 2.226 20 10 GECDMN O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825346797 653925968 /nfs/dbraw/zinc/92/59/68/653925968.db2.gz GODPQFXURQWKPK-UHFFFAOYSA-N 0 1 389.315 2.201 20 10 GECDMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)NCc1cccc(Br)c1O ZINC000847402946 653927127 /nfs/dbraw/zinc/92/71/27/653927127.db2.gz WKJLIFUTYJWBSS-LLVKDONJSA-N 0 1 396.245 2.124 20 10 GECDMN C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000903291114 654232402 /nfs/dbraw/zinc/23/24/02/654232402.db2.gz PDGKQKHTIHPIKA-NSHDSACASA-N 0 1 377.304 2.231 20 10 GECDMN CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCS(=O)(=O)C1 ZINC000903364919 654235856 /nfs/dbraw/zinc/23/58/56/654235856.db2.gz DYWRBAICSYGXMT-YGRLFVJLSA-N 0 1 378.288 2.009 20 10 GECDMN CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCS(=O)(=O)C1 ZINC000903364918 654235692 /nfs/dbraw/zinc/23/56/92/654235692.db2.gz DYWRBAICSYGXMT-QMTHXVAHSA-N 0 1 378.288 2.009 20 10 GECDMN CN(C)c1ccc(/C=C/CNC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000835041367 654359174 /nfs/dbraw/zinc/35/91/74/654359174.db2.gz KKFTTYDOQGYPML-NJELEJDNSA-N 0 1 380.535 2.252 20 10 GECDMN COCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893958965 654433362 /nfs/dbraw/zinc/43/33/62/654433362.db2.gz GOVNYFHIUWVWEA-UHFFFAOYSA-N 0 1 379.682 2.345 20 10 GECDMN COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893958965 654433368 /nfs/dbraw/zinc/43/33/68/654433368.db2.gz GOVNYFHIUWVWEA-UHFFFAOYSA-N 0 1 379.682 2.345 20 10 GECDMN O=C(CNCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134268318 532253263 /nfs/dbraw/zinc/25/32/63/532253263.db2.gz OEHQSLYTRNOIDG-ZDUSSCGKSA-N 0 1 379.810 2.278 20 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/nfs/dbraw/zinc/38/40/65/608384065.db2.gz NQAISFMKYDGDHN-UHFFFAOYSA-N 0 1 382.443 2.474 20 10 GECDMN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000092473163 643071707 /nfs/dbraw/zinc/07/17/07/643071707.db2.gz MQIOOPIFDWQWLO-OAHLLOKOSA-N 0 1 376.291 2.389 20 10 GECDMN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000092473163 643071713 /nfs/dbraw/zinc/07/17/13/643071713.db2.gz MQIOOPIFDWQWLO-OAHLLOKOSA-N 0 1 376.291 2.389 20 10 GECDMN CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000156661689 644110919 /nfs/dbraw/zinc/11/09/19/644110919.db2.gz PXEJLLZFJBQACU-ZDUSSCGKSA-N 0 1 380.304 2.257 20 10 GECDMN CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000156890110 644123215 /nfs/dbraw/zinc/12/32/15/644123215.db2.gz DGIOQWGYRQXEFW-FZMZJTMJSA-N 0 1 391.331 2.477 20 10 GECDMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)c1C ZINC000266090425 645822629 /nfs/dbraw/zinc/82/26/29/645822629.db2.gz PUMSIJKFQVFHCW-UHFFFAOYSA-N 0 1 386.499 2.082 20 10 GECDMN C[NH+](C)[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCSC1 ZINC000277473500 646427255 /nfs/dbraw/zinc/42/72/55/646427255.db2.gz PCANDWNXVQWWKB-HNNXBMFYSA-N 0 1 388.331 2.391 20 10 GECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000278094834 646492617 /nfs/dbraw/zinc/49/26/17/646492617.db2.gz PWASQHAQWWRTAN-WFASDCNBSA-N 0 1 376.291 2.389 20 10 GECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000278094834 646492620 /nfs/dbraw/zinc/49/26/20/646492620.db2.gz PWASQHAQWWRTAN-WFASDCNBSA-N 0 1 376.291 2.389 20 10 GECDMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCCSc1nccs1 ZINC000746692039 652123674 /nfs/dbraw/zinc/12/36/74/652123674.db2.gz NMNFMRMNCXFJFI-UHFFFAOYSA-N 0 1 392.531 2.440 20 10 GECDMN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000756565197 652501078 /nfs/dbraw/zinc/50/10/78/652501078.db2.gz WPPMUHDCSULQJW-GFCCVEGCSA-N 0 1 384.318 2.358 20 10 GECDMN COCCO[C@H]1COCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805311952 653110127 /nfs/dbraw/zinc/11/01/27/653110127.db2.gz GUSWDUBPZHSVTF-KGLIPLIRSA-N 0 1 393.267 2.319 20 10 GECDMN CS(=O)(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805411840 653115462 /nfs/dbraw/zinc/11/54/62/653115462.db2.gz ZCVHJTHXQLNELZ-UHFFFAOYSA-N 0 1 381.281 2.466 20 10 GECDMN CN(C)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807512792 653197209 /nfs/dbraw/zinc/19/72/09/653197209.db2.gz JTOFVHAMCOHBBJ-UHFFFAOYSA-N 0 1 383.235 2.415 20 10 GECDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000775744472 653328832 /nfs/dbraw/zinc/32/88/32/653328832.db2.gz MPIPAARSXAXNEX-JTQLQIEISA-N 0 1 378.064 2.238 20 10 GECDMN O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1c([O-])cccc1Br ZINC000858090533 653348041 /nfs/dbraw/zinc/34/80/41/653348041.db2.gz QPYNBBQUDIHZMS-UHFFFAOYSA-N 0 1 396.285 2.499 20 10 GECDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000858108234 653348497 /nfs/dbraw/zinc/34/84/97/653348497.db2.gz YKGIYLNNWAAGKE-LLVKDONJSA-N 0 1 396.237 2.413 20 10 GECDMN O=C(CNCc1ccc(N2CCCCC2)c(Br)c1)N1CCOCC1 ZINC000838985068 653638936 /nfs/dbraw/zinc/63/89/36/653638936.db2.gz CLHABLRUBQRGRR-UHFFFAOYSA-N 0 1 396.329 2.388 20 10 GECDMN CC(C)OCCOC[C@H](O)CN(C)Cc1c(O)cccc1Br ZINC000862233219 653680606 /nfs/dbraw/zinc/68/06/06/653680606.db2.gz TTWYZBZFFJKHAU-CYBMUJFWSA-N 0 1 376.291 2.389 20 10 GECDMN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1c([O-])cccc1Br ZINC000862233219 653680608 /nfs/dbraw/zinc/68/06/08/653680608.db2.gz TTWYZBZFFJKHAU-CYBMUJFWSA-N 0 1 376.291 2.389 20 10 GECDMN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862233219 653680610 /nfs/dbraw/zinc/68/06/10/653680610.db2.gz TTWYZBZFFJKHAU-CYBMUJFWSA-N 0 1 376.291 2.389 20 10 GECDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000862254324 653682350 /nfs/dbraw/zinc/68/23/50/653682350.db2.gz XWRPAHJUAHZKTG-UHFFFAOYSA-N 0 1 377.304 2.011 20 10 GECDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000862254324 653682351 /nfs/dbraw/zinc/68/23/51/653682351.db2.gz XWRPAHJUAHZKTG-UHFFFAOYSA-N 0 1 377.304 2.011 20 10 GECDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000862484950 653687388 /nfs/dbraw/zinc/68/73/88/653687388.db2.gz DHWDJPBXPVGATI-CHWSQXEVSA-N 0 1 377.304 2.105 20 10 GECDMN O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)C1CC1 ZINC000816613412 653688601 /nfs/dbraw/zinc/68/86/01/653688601.db2.gz SYWWWBVVKLRCCH-LLVKDONJSA-N 0 1 376.881 2.479 20 10 GECDMN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1c([O-])ccc(Cl)c1F ZINC000816625269 653688938 /nfs/dbraw/zinc/68/89/38/653688938.db2.gz ZDHBKSIYAWTVFW-UHFFFAOYSA-N 0 1 388.848 2.343 20 10 GECDMN CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1O ZINC000840977337 653704398 /nfs/dbraw/zinc/70/43/98/653704398.db2.gz JVBWRLLPKZHKOL-ZDUSSCGKSA-N 0 1 393.864 2.125 20 10 GECDMN O=S1(=O)C[C@@H]2CCN(Cc3cc(Br)cc(F)c3O)C[C@@H]2C1 ZINC000895470263 653836979 /nfs/dbraw/zinc/83/69/79/653836979.db2.gz HSOHDAXWYZTASN-GXSJLCMTSA-N 0 1 378.263 2.160 20 10 GECDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371488 653837713 /nfs/dbraw/zinc/83/77/13/653837713.db2.gz MERIMLUVFHYIHU-OAHLLOKOSA-N 0 1 398.345 2.041 20 10 GECDMN COC1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000845936688 653871341 /nfs/dbraw/zinc/87/13/41/653871341.db2.gz XWLQDCZANYTICB-UHFFFAOYSA-N 0 1 384.281 2.314 20 10 GECDMN CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC12COC2 ZINC000824490178 653897235 /nfs/dbraw/zinc/89/72/35/653897235.db2.gz YYRZZDHAAJZYQT-ZDUSSCGKSA-N 0 1 384.270 2.475 20 10 GECDMN CN(CC[N@H+](C)Cc1cc(Cl)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000824649003 653904414 /nfs/dbraw/zinc/90/44/14/653904414.db2.gz AKOUPWYKSAUNTN-UHFFFAOYSA-N 0 1 383.901 2.261 20 10 GECDMN CN(CC[N@@H+](C)Cc1cc(Cl)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000824649003 653904416 /nfs/dbraw/zinc/90/44/16/653904416.db2.gz AKOUPWYKSAUNTN-UHFFFAOYSA-N 0 1 383.901 2.261 20 10 GECDMN CN1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC[N@@H+](C)CC1 ZINC000897859689 653940696 /nfs/dbraw/zinc/94/06/96/653940696.db2.gz KLCKFGCALGLPDE-UHFFFAOYSA-N 0 1 376.726 2.487 20 10 GECDMN Oc1ccccc1CN1CCC(n2nncc2I)CC1 ZINC000827282939 653984501 /nfs/dbraw/zinc/98/45/01/653984501.db2.gz NYBRSWHPCTXVNG-UHFFFAOYSA-N 0 1 384.221 2.425 20 10 GECDMN COc1cc(Br)cc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000848561987 653987541 /nfs/dbraw/zinc/98/75/41/653987541.db2.gz GLWKXVFYCWULTJ-NSHDSACASA-N 0 1 383.246 2.423 20 10 GECDMN CN(C)S(=O)(=O)C[C@@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000796456935 653998370 /nfs/dbraw/zinc/99/83/70/653998370.db2.gz AMMVQFWXIJBBPL-SNVBAGLBSA-N 0 1 378.775 2.097 20 10 GECDMN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000796509505 653999477 /nfs/dbraw/zinc/99/94/77/653999477.db2.gz GUBLTFDAEWTQIR-CYBMUJFWSA-N 0 1 377.304 2.058 20 10 GECDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000797432776 654031486 /nfs/dbraw/zinc/03/14/86/654031486.db2.gz RUKOAVZQVDASFM-UHFFFAOYSA-N 0 1 393.849 2.156 20 10 GECDMN O=S(=O)(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(F)cc1F ZINC000799345849 654093122 /nfs/dbraw/zinc/09/31/22/654093122.db2.gz 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GECDMN Cc1cc(Br)c([O-])c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148717 653919304 /nfs/dbraw/zinc/91/93/04/653919304.db2.gz ZRPAQGFENAXEAE-HNNXBMFYSA-N 0 1 396.329 2.249 20 10 GECDMN C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000886736963 653996699 /nfs/dbraw/zinc/99/66/99/653996699.db2.gz OMTLBDBVPOOXBR-JTQLQIEISA-N 0 1 377.304 2.229 20 10 GECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792594 654178426 /nfs/dbraw/zinc/17/84/26/654178426.db2.gz MRXXFRAYSOPNBI-SFHVURJKSA-N 0 1 393.281 2.350 20 10 GECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792594 654178440 /nfs/dbraw/zinc/17/84/40/654178440.db2.gz MRXXFRAYSOPNBI-SFHVURJKSA-N 0 1 393.281 2.350 20 10 GECDMN CC(C)(C)n1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(=O)[nH]c1=O ZINC000922498076 654397994 /nfs/dbraw/zinc/39/79/94/654397994.db2.gz LKJNNQYCWGDJCN-UHFFFAOYSA-N 0 1 382.258 2.462 20 10 GECDMN CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894020149 654439830 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GECDMN C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2[O-])NC(=O)NC1=O ZINC000289188620 532849256 /nfs/dbraw/zinc/84/92/56/532849256.db2.gz AQPLEGKPWOHYKB-MLGOLLRUSA-N 0 1 382.258 2.107 20 10 GECDMN CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)S(C)(=O)=O ZINC000289369273 532853609 /nfs/dbraw/zinc/85/36/09/532853609.db2.gz LEIXGCCTSUUDCU-NSHDSACASA-N 0 1 391.877 2.057 20 10 GECDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000276824778 532901544 /nfs/dbraw/zinc/90/15/44/532901544.db2.gz GWSUWNBKCZBEMM-UHFFFAOYSA-N 0 1 385.463 2.304 20 10 GECDMN CCN1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cn3)cc2F)CC1 ZINC000736567895 598389661 /nfs/dbraw/zinc/38/96/61/598389661.db2.gz GSHWORWYSDYAHB-UHFFFAOYSA-N 0 1 382.447 2.155 20 10 GECDMN CCN(CC)c1ccc(CNC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)cc1F ZINC000827051708 605711659 /nfs/dbraw/zinc/71/16/59/605711659.db2.gz GDPPDLQCLSDZSY-UHFFFAOYSA-N 0 1 380.464 2.020 20 10 GECDMN COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000826210655 608500274 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O=C(NCCc1ccc(O)c(O)c1)c1cccc(I)c1O ZINC000755531074 652468327 /nfs/dbraw/zinc/46/83/27/652468327.db2.gz NZUCBGUDOIMYDT-UHFFFAOYSA-N 0 1 399.184 2.381 20 10 GECDMN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000762795426 652719182 /nfs/dbraw/zinc/71/91/82/652719182.db2.gz WKPRPAIZSYJTPO-LBPRGKRZSA-N 0 1 395.257 2.370 20 10 GECDMN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764783904 652812534 /nfs/dbraw/zinc/81/25/34/652812534.db2.gz MNVQYRWVZZUNAT-ZDUSSCGKSA-N 0 1 386.290 2.065 20 10 GECDMN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764783904 652812535 /nfs/dbraw/zinc/81/25/35/652812535.db2.gz MNVQYRWVZZUNAT-ZDUSSCGKSA-N 0 1 386.290 2.065 20 10 GECDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1 ZINC000765059217 652821528 /nfs/dbraw/zinc/82/15/28/652821528.db2.gz AYWVFNPMNDMETR-UHFFFAOYSA-N 0 1 392.890 2.026 20 10 GECDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134496 653099887 /nfs/dbraw/zinc/09/98/87/653099887.db2.gz BAAHWKXGWHHRKG-UHFFFAOYSA-N 0 1 378.193 2.481 20 10 GECDMN COC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1C ZINC000805135136 653099929 /nfs/dbraw/zinc/09/99/29/653099929.db2.gz GVXFBYNKRAPHBR-UHFFFAOYSA-N 0 1 393.248 2.303 20 10 GECDMN O=C(NCCS(=O)(=O)CC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805218423 653105151 /nfs/dbraw/zinc/10/51/51/653105151.db2.gz XYCPWTRGRUJEBT-UHFFFAOYSA-N 0 1 381.281 2.323 20 10 GECDMN COc1cc(Br)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000769468772 653158596 /nfs/dbraw/zinc/15/85/96/653158596.db2.gz OJUUQWPQILTTFK-SNVBAGLBSA-N 0 1 378.288 2.030 20 10 GECDMN CCn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1=O ZINC000807513067 653197086 /nfs/dbraw/zinc/19/70/86/653197086.db2.gz RUYKKLPFQKJXTK-UHFFFAOYSA-N 0 1 384.219 2.136 20 10 GECDMN CN1CCN(c2cc(NCc3cc(Cl)cc(Cl)c3O)ncn2)CC1=O ZINC000808089197 653217588 /nfs/dbraw/zinc/21/75/88/653217588.db2.gz JDDSZXAHSBYWAU-UHFFFAOYSA-N 0 1 382.251 2.380 20 10 GECDMN Cn1nnnc1-c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808114574 653219036 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O=C(NCCCSc1nccs1)NCc1n[nH]c(-c2ccncc2)n1 ZINC000840324980 653682528 /nfs/dbraw/zinc/68/25/28/653682528.db2.gz KZXOEIJWBVSMGF-UHFFFAOYSA-N 0 1 375.483 2.305 20 10 GECDMN CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Br)ccc1[O-] ZINC000840897923 653699736 /nfs/dbraw/zinc/69/97/36/653699736.db2.gz VDVJAIBYZDHVDR-CYBMUJFWSA-N 0 1 396.289 2.366 20 10 GECDMN CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(F)c1O ZINC000840977334 653704375 /nfs/dbraw/zinc/70/43/75/653704375.db2.gz JVBWRLLPKZHKOL-CYBMUJFWSA-N 0 1 393.864 2.125 20 10 GECDMN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1n[nH]c(COC)n1 ZINC000821170752 653792105 /nfs/dbraw/zinc/79/21/05/653792105.db2.gz NONHELFUPVHXRQ-UHFFFAOYSA-N 0 1 398.261 2.151 20 10 GECDMN COc1ccc(N2CC[C@H](CNCc3nc(Br)nn3C)C2)cc1 ZINC000895051689 653814175 /nfs/dbraw/zinc/81/41/75/653814175.db2.gz RIKOVQBBQUMCGC-GFCCVEGCSA-N 0 1 380.290 2.202 20 10 GECDMN C[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CS1(=O)=O ZINC000821986696 653814549 /nfs/dbraw/zinc/81/45/49/653814549.db2.gz 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1 387.885 2.034 20 10 GECDMN C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000886736964 653996757 /nfs/dbraw/zinc/99/67/57/653996757.db2.gz OMTLBDBVPOOXBR-SNVBAGLBSA-N 0 1 377.304 2.229 20 10 GECDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000796482067 653998800 /nfs/dbraw/zinc/99/88/00/653998800.db2.gz JCHDSBILVIJGKQ-SMDDNHRTSA-N 0 1 391.331 2.352 20 10 GECDMN Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(Cl)n1 ZINC000800833258 654159816 /nfs/dbraw/zinc/15/98/16/654159816.db2.gz ZXWFQRCGELKQSX-UHFFFAOYSA-N 0 1 375.859 2.216 20 10 GECDMN CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000922528552 654399662 /nfs/dbraw/zinc/39/96/62/654399662.db2.gz OEJLIXQHOOGMCU-PBHICJAKSA-N 0 1 393.285 2.481 20 10 GECDMN Cc1nc(CN2CCN(Cc3cc(Br)cc(F)c3O)CC2)no1 ZINC000894014588 654438609 /nfs/dbraw/zinc/43/86/09/654438609.db2.gz MYCFHRRKPAZSBR-UHFFFAOYSA-N 0 1 385.237 2.303 20 10 GECDMN CN(C)C(=O)COC1CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894975685 654508429 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