smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000015731041 531567631 /nfs/dbraw/zinc/56/76/31/531567631.db2.gz MDAWDKQXWULXBD-UHFFFAOYSA-N 0 1 383.539 2.131 10 0 GEAEMN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000173884078 532040684 /nfs/dbraw/zinc/04/06/84/532040684.db2.gz JPRIMJZQKRNMLZ-AAEUAGOBSA-N 0 1 391.331 2.465 10 0 GEAEMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173903869 532042655 /nfs/dbraw/zinc/04/26/55/532042655.db2.gz QINPXCVTSKIUQZ-OAHLLOKOSA-N 0 1 386.323 2.358 10 0 GEAEMN Cc1nc([C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CCO2)n[nH]1 ZINC000174098240 532048928 /nfs/dbraw/zinc/04/89/28/532048928.db2.gz CJAUKOIPKDOVEQ-OAHLLOKOSA-N 0 1 395.257 2.220 10 0 GEAEMN CCc1nc([C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)n[nH]1 ZINC000174100575 532049430 /nfs/dbraw/zinc/04/94/30/532049430.db2.gz NUGSOYQGSXXKRX-CYBMUJFWSA-N 0 1 395.257 2.432 10 0 GEAEMN Cc1nc([C@@H]2CN(C(=O)NCc3sccc3Br)CCO2)n[nH]1 ZINC000175466493 532103818 /nfs/dbraw/zinc/10/38/18/532103818.db2.gz RWMOOODYDNGGAP-JTQLQIEISA-N 0 1 386.275 2.220 10 0 GEAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccc(F)cc3Br)CCO2)n[nH]1 ZINC000175439879 532104373 /nfs/dbraw/zinc/10/43/73/532104373.db2.gz UXDCYHOOEKBHEN-ZDUSSCGKSA-N 0 1 398.236 2.298 10 0 GEAEMN Cc1nc([C@@H]2CN(C(=O)Nc3nnc(-c4ccsc4)s3)CCO2)n[nH]1 ZINC000177043621 532160978 /nfs/dbraw/zinc/16/09/78/532160978.db2.gz SMKDTLVDCRPVLJ-JTQLQIEISA-N 0 1 377.455 2.299 10 0 GEAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000186663091 532341686 /nfs/dbraw/zinc/34/16/86/532341686.db2.gz UMWUSDZVZXONTN-AWEZNQCLSA-N 0 1 399.285 2.225 10 0 GEAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187088847 532343117 /nfs/dbraw/zinc/34/31/17/532343117.db2.gz IRIFAGANZMSOME-BBRMVZONSA-N 0 1 375.282 2.010 10 0 GEAEMN Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCO2)n[nH]1 ZINC000188062660 532346453 /nfs/dbraw/zinc/34/64/53/532346453.db2.gz HLLRJBSCYXWLLS-VIFPVBQESA-N 0 1 395.243 2.321 10 0 GEAEMN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)cc1Br ZINC000188570429 532348665 /nfs/dbraw/zinc/34/86/65/532348665.db2.gz QLKPRJZCATUDCF-CYBMUJFWSA-N 0 1 398.301 2.387 10 0 GEAEMN O=c1cc(CCn2cccn2)nc(-c2cccc(CN3CCSCC3)c2)[nH]1 ZINC000048130302 205112603 /nfs/dbraw/zinc/11/26/03/205112603.db2.gz SLMSXOIURQJXLA-UHFFFAOYSA-N 0 1 381.505 2.425 10 0 GEAEMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 ZINC000067446703 205247594 /nfs/dbraw/zinc/24/75/94/205247594.db2.gz YUCGUTYQMILTBY-CQSZACIVSA-N 0 1 390.509 2.029 10 0 GEAEMN Cc1nc2c(c(C)n1)C[C@@H](CN1CCC3(CC1)Nc1ccccc1NC3=O)O2 ZINC000082156176 205389160 /nfs/dbraw/zinc/38/91/60/205389160.db2.gz MAKMKUDVWPDJBU-HNNXBMFYSA-N 0 1 379.464 2.296 10 0 GEAEMN O=C1NC(=O)c2cc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc21 ZINC000005881822 206217802 /nfs/dbraw/zinc/21/78/02/206217802.db2.gz YARRHUPNPWCSOY-UHFFFAOYSA-N 0 1 393.380 2.090 10 0 GEAEMN CC(C)N1CC[NH+]([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957776 570470620 /nfs/dbraw/zinc/47/06/20/570470620.db2.gz FJIZNOKRRQTMLC-RTBURBONSA-N 0 1 389.496 2.124 10 0 GEAEMN COc1ccc(C(N)=O)cc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000006621672 570506260 /nfs/dbraw/zinc/50/62/60/570506260.db2.gz NCJBOYYRUWVAMD-UHFFFAOYSA-N 0 1 398.444 2.195 10 0 GEAEMN Cc1ccc2nc([C@H](NC(=O)C[C@H]3C(=O)NCCN3C(C)C)C(C)C)[nH]c2c1 ZINC000019641679 570536322 /nfs/dbraw/zinc/53/63/22/570536322.db2.gz BIXZSFOLKUYJHB-PKOBYXMFSA-N 0 1 385.512 2.284 10 0 GEAEMN O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012447558 570667374 /nfs/dbraw/zinc/66/73/74/570667374.db2.gz MYUPEQSJIQKAPA-KRWDZBQOSA-N 0 1 380.492 2.386 10 0 GEAEMN C[C@@H]1C[NH+]([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000675061017 570903531 /nfs/dbraw/zinc/90/35/31/570903531.db2.gz VQITYBUWJQXEON-JOCBIADPSA-N 0 1 376.453 2.208 10 0 GEAEMN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)sc1Br ZINC000063170971 642853386 /nfs/dbraw/zinc/85/33/86/642853386.db2.gz MRPBUBPSRGOGRW-RXMQYKEDSA-N 0 1 392.138 2.289 10 0 GEAEMN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1CC ZINC000106117713 643223981 /nfs/dbraw/zinc/22/39/81/643223981.db2.gz GSXIQZSNTFNHHX-HNNXBMFYSA-N 0 1 399.333 2.215 10 0 GEAEMN CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)c1ccccc1Cl ZINC000109344977 643293561 /nfs/dbraw/zinc/29/35/61/643293561.db2.gz CQWIBACWKKOVKV-UHFFFAOYSA-N 0 1 382.917 2.322 10 0 GEAEMN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(Br)sc1Br ZINC000111198099 643329522 /nfs/dbraw/zinc/32/95/22/643329522.db2.gz NJGVJFRAAXJUBV-YFKPBYRVSA-N 0 1 392.138 2.289 10 0 GEAEMN C[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)c1cccc(Br)c1 ZINC000125209439 643703750 /nfs/dbraw/zinc/70/37/50/643703750.db2.gz GKWILFBFCHYKIS-JTQLQIEISA-N 0 1 389.257 2.429 10 0 GEAEMN CC[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CCN1C[C@@H](C)O ZINC000157068878 644129251 /nfs/dbraw/zinc/12/92/51/644129251.db2.gz KWSPTOHGBRXRCL-OCCSQVGLSA-N 0 1 387.293 2.434 10 0 GEAEMN COc1cc(Cl)c(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl ZINC000158978501 644170565 /nfs/dbraw/zinc/17/05/65/644170565.db2.gz LSEIRGRGPCMNQL-LLVKDONJSA-N 0 1 397.324 2.127 10 0 GEAEMN O=S(=O)(c1cc(F)ccc1NC[C@@H](O)CN1CCCCC1)C(F)(F)F ZINC000171026321 644302129 /nfs/dbraw/zinc/30/21/29/644302129.db2.gz NVFVIZLPGXGZHS-GFCCVEGCSA-N 0 1 384.395 2.378 10 0 GEAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)n[nH]1 ZINC000173095216 644351163 /nfs/dbraw/zinc/35/11/63/644351163.db2.gz JMFJSKLMIKRHFI-ZDUSSCGKSA-N 0 1 397.248 2.411 10 0 GEAEMN O=Cc1ccc(OCC(=O)N2CCN3CCCC[C@H]3C2)c(Br)c1 ZINC000173888651 644362817 /nfs/dbraw/zinc/36/28/17/644362817.db2.gz YRSQKYYWWWNDFI-AWEZNQCLSA-N 0 1 381.270 2.337 10 0 GEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000183485211 644995700 /nfs/dbraw/zinc/99/57/00/644995700.db2.gz LIZKEPKLJBPKGD-LLVKDONJSA-N 0 1 375.803 2.480 10 0 GEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193071953 645238353 /nfs/dbraw/zinc/23/83/53/645238353.db2.gz FHMVIPRFVHMMGZ-CQSZACIVSA-N 0 1 394.313 2.477 10 0 GEAEMN Cc1nc(S(=O)(=O)[N-][C@H]2C[N@H+](C(C)C)C[C@H]2C)sc1Br ZINC000245534117 645459478 /nfs/dbraw/zinc/45/94/78/645459478.db2.gz JJFSYYDFPQOWMY-SCZZXKLOSA-N 0 1 382.349 2.221 10 0 GEAEMN Cc1nc(S(=O)(=O)[N-][C@H]2C[N@@H+](C(C)C)C[C@H]2C)sc1Br ZINC000245534117 645459482 /nfs/dbraw/zinc/45/94/82/645459482.db2.gz JJFSYYDFPQOWMY-SCZZXKLOSA-N 0 1 382.349 2.221 10 0 GEAEMN O=S(=O)(c1cc(F)c(Br)cc1F)N1CCN2CCC[C@H]2C1 ZINC000245691916 645467252 /nfs/dbraw/zinc/46/72/52/645467252.db2.gz UQTXULIKVKVAQZ-VIFPVBQESA-N 0 1 381.242 2.196 10 0 GEAEMN O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247227257 645508253 /nfs/dbraw/zinc/50/82/53/645508253.db2.gz WQBRMCPTGCUAQX-CABCVRRESA-N 0 1 375.296 2.140 10 0 GEAEMN Cc1nc([C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CCO2)n[nH]1 ZINC000247468616 645510135 /nfs/dbraw/zinc/51/01/35/645510135.db2.gz JASSEHJZOLAFSX-DOMZBBRYSA-N 0 1 387.267 2.233 10 0 GEAEMN O=S(=O)(c1cc(Br)c(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000247499831 645510834 /nfs/dbraw/zinc/51/08/34/645510834.db2.gz NHLYKGQENOFXIZ-VIFPVBQESA-N 0 1 381.242 2.196 10 0 GEAEMN CC[C@@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCN1C[C@@H](C)O ZINC000247653675 645515565 /nfs/dbraw/zinc/51/55/65/645515565.db2.gz NQCMEUVUVWJQDD-LYRGGWFBSA-N 0 1 375.296 2.330 10 0 GEAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2Br)CCN1C[C@H](C)O ZINC000247807522 645518990 /nfs/dbraw/zinc/51/89/90/645518990.db2.gz TVSMGPGAVZLKLV-KBPBESRZSA-N 0 1 384.318 2.165 10 0 GEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Cc2ccc(Br)cc2)C1 ZINC000262706166 645641641 /nfs/dbraw/zinc/64/16/41/645641641.db2.gz JQIFIMRTEVTEEQ-UHFFFAOYSA-N 0 1 395.297 2.435 10 0 GEAEMN COc1cc(Cl)c(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263485866 645666037 /nfs/dbraw/zinc/66/60/37/645666037.db2.gz HIVUSXZCSSEHJR-LBPRGKRZSA-N 0 1 377.268 2.219 10 0 GEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000263476413 645666086 /nfs/dbraw/zinc/66/60/86/645666086.db2.gz JILAQSQFAAJKFV-UHFFFAOYSA-N 0 1 378.903 2.007 10 0 GEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCc3ccc(Br)cc32)C1 ZINC000263479963 645666167 /nfs/dbraw/zinc/66/61/67/645666167.db2.gz NRHKJXROELOIDP-UHFFFAOYSA-N 0 1 396.285 2.459 10 0 GEAEMN CN1C[C@H](CNCc2ncc(Br)cc2Br)CC1=O ZINC000657696878 652192546 /nfs/dbraw/zinc/19/25/46/652192546.db2.gz XGMGAWIXSZKWJK-QMMMGPOBSA-N 0 1 377.080 2.175 10 0 GEAEMN Cc1nc([C@@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)n[nH]1 ZINC000173088827 531985987 /nfs/dbraw/zinc/98/59/87/531985987.db2.gz JLWPPPVWOZQDQU-LBPRGKRZSA-N 0 1 385.287 2.470 10 0 GEAEMN COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000121073208 532011587 /nfs/dbraw/zinc/01/15/87/532011587.db2.gz KLNOFHBLXYFFSV-KGLIPLIRSA-N 0 1 395.257 2.163 10 0 GEAEMN CC[C@@H](O)CN1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000173453179 532012394 /nfs/dbraw/zinc/01/23/94/532012394.db2.gz HHIABPPTFUECIX-CYBMUJFWSA-N 0 1 380.539 2.199 10 0 GEAEMN Cc1nc([C@H]2CN(CC(=O)Nc3ccc(Br)c(C)c3)CCO2)n[nH]1 ZINC000173713846 532027535 /nfs/dbraw/zinc/02/75/35/532027535.db2.gz QUTZQVAOTOSPOH-CQSZACIVSA-N 0 1 394.273 2.196 10 0 GEAEMN CCc1nc([C@@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)n[nH]1 ZINC000122179993 532061663 /nfs/dbraw/zinc/06/16/63/532061663.db2.gz GFFTUXBGRNKXHY-LBPRGKRZSA-N 0 1 388.852 2.230 10 0 GEAEMN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(Cl)cc1Cl ZINC000175267177 532096582 /nfs/dbraw/zinc/09/65/82/532096582.db2.gz IMNCKMMZKSGMAZ-VIFPVBQESA-N 0 1 381.281 2.105 10 0 GEAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000176288814 532133535 /nfs/dbraw/zinc/13/35/35/532133535.db2.gz YPBBMJVNDHXJOJ-LBPRGKRZSA-N 0 1 375.230 2.490 10 0 GEAEMN O[C@H](COc1cccc(Br)c1)CN1CCCN(CC(F)F)CC1 ZINC000180584796 532275604 /nfs/dbraw/zinc/27/56/04/532275604.db2.gz PEMOWXYGEYKQII-AWEZNQCLSA-N 0 1 393.272 2.462 10 0 GEAEMN C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000180734393 532278282 /nfs/dbraw/zinc/27/82/82/532278282.db2.gz GIDVYDGUJMBIJF-SNVBAGLBSA-N 0 1 385.848 2.416 10 0 GEAEMN CC[C@H]1CN(C(=O)Nc2ccc(C)nc2Br)CCN1C[C@@H](C)O ZINC000181245820 532293576 /nfs/dbraw/zinc/29/35/76/532293576.db2.gz RXVXHVNMIQPIKF-OLZOCXBDSA-N 0 1 385.306 2.461 10 0 GEAEMN CC[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182362756 532312283 /nfs/dbraw/zinc/31/22/83/532312283.db2.gz BFCNCVPAFRFWNT-HNNXBMFYSA-N 0 1 399.329 2.499 10 0 GEAEMN Cc1noc([C@@H]2COCCN2C(=O)c2[nH]nc3ccc(Br)cc32)n1 ZINC000186612774 532341516 /nfs/dbraw/zinc/34/15/16/532341516.db2.gz JNVQHQSBWYVPCO-LBPRGKRZSA-N 0 1 392.213 2.231 10 0 GEAEMN O=C(NC1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1)C1CC1 ZINC000189502655 532352471 /nfs/dbraw/zinc/35/24/71/532352471.db2.gz YMZUJRMRAJXHDC-UHFFFAOYSA-N 0 1 389.253 2.190 10 0 GEAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)Nc3cccc(Br)c3)CCO2)n[nH]1 ZINC000246225922 532533193 /nfs/dbraw/zinc/53/31/93/532533193.db2.gz RDTBDRLSSGDGHL-QMTHXVAHSA-N 0 1 394.273 2.276 10 0 GEAEMN C[C@H](O)CN1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1C ZINC000249070981 532558851 /nfs/dbraw/zinc/55/88/51/532558851.db2.gz 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O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)CN1CCCCC1 ZINC000158968924 644169949 /nfs/dbraw/zinc/16/99/49/644169949.db2.gz XPGKCQUUSUBMBT-CYBMUJFWSA-N 0 1 381.325 2.260 10 0 GEAEMN CC[C@H](O)CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000174086579 644369185 /nfs/dbraw/zinc/36/91/85/644369185.db2.gz UUSWBCIKRZJUAG-GJZGRUSLSA-N 0 1 377.312 2.122 10 0 GEAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000186647318 645070847 /nfs/dbraw/zinc/07/08/47/645070847.db2.gz BUYFIOOFSSUJAY-HNNXBMFYSA-N 0 1 383.286 2.389 10 0 GEAEMN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000187077694 645083030 /nfs/dbraw/zinc/08/30/30/645083030.db2.gz YSGSWJKTGKJTAA-CQSZACIVSA-N 0 1 384.889 2.134 10 0 GEAEMN CCN(CC)[C@@H](C)CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000195024445 645355212 /nfs/dbraw/zinc/35/52/12/645355212.db2.gz JTQQJZMEPMRVCC-NSHDSACASA-N 0 1 391.331 2.313 10 0 GEAEMN COc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1Br ZINC000247513242 645511707 /nfs/dbraw/zinc/51/17/07/645511707.db2.gz WBBKPBIZQZXAPV-RYUDHWBXSA-N 0 1 389.315 2.315 10 0 GEAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000247532518 645512487 /nfs/dbraw/zinc/51/24/87/645512487.db2.gz XQEPERIPTKJXHY-PWSUYJOCSA-N 0 1 377.279 2.445 10 0 GEAEMN CC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CCN1C[C@H](C)O ZINC000247583849 645514248 /nfs/dbraw/zinc/51/42/48/645514248.db2.gz IUIGXGQCJIVVML-BBRMVZONSA-N 0 1 384.318 2.165 10 0 GEAEMN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000247806207 645518952 /nfs/dbraw/zinc/51/89/52/645518952.db2.gz SRXRUBLKHXQXDQ-KGLIPLIRSA-N 0 1 388.339 2.339 10 0 GEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000262254554 645622478 /nfs/dbraw/zinc/62/24/78/645622478.db2.gz DZJHRDZMMMNDTD-UHFFFAOYSA-N 0 1 391.212 2.395 10 0 GEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cc(Br)ccc2OC)C1 ZINC000262854816 645646784 /nfs/dbraw/zinc/64/67/84/645646784.db2.gz XVGVRVMPPQMYEJ-UHFFFAOYSA-N 0 1 399.285 2.054 10 0 GEAEMN C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)c([O-])c3)C[C@H]2C1 ZINC000312929808 647282760 /nfs/dbraw/zinc/28/27/60/647282760.db2.gz DWIFCMVFVHFNMV-VXGBXAGGSA-N 0 1 386.233 2.021 10 0 GEAEMN C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)c([O-])c3)C[C@H]2C1 ZINC000312929808 647282764 /nfs/dbraw/zinc/28/27/64/647282764.db2.gz DWIFCMVFVHFNMV-VXGBXAGGSA-N 0 1 386.233 2.021 10 0 GEAEMN CCOCCN1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1CC ZINC000157002774 531729093 /nfs/dbraw/zinc/72/90/93/531729093.db2.gz WTTUSXUYJOTJKI-SJORKVTESA-N 0 1 398.345 2.408 10 0 GEAEMN Cc1nc([C@@H]2CN(c3ccnc4cc(Br)cnc43)CCO2)n[nH]1 ZINC000157901303 531757359 /nfs/dbraw/zinc/75/73/59/531757359.db2.gz UUDJLLUYPMNGIR-ZDUSSCGKSA-N 0 1 375.230 2.397 10 0 GEAEMN CC(C)c1nnc2n1C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000171758947 531914982 /nfs/dbraw/zinc/91/49/82/531914982.db2.gz XYYLMWAMJHEGKS-UKRRQHHQSA-N 0 1 392.301 2.295 10 0 GEAEMN CC[N@@H+]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000173056811 531982799 /nfs/dbraw/zinc/98/27/99/531982799.db2.gz VZKSHJRREJFIAU-JTQLQIEISA-N 0 1 395.859 2.339 10 0 GEAEMN CC[N@H+]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000173056811 531982806 /nfs/dbraw/zinc/98/28/06/531982806.db2.gz VZKSHJRREJFIAU-JTQLQIEISA-N 0 1 395.859 2.339 10 0 GEAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccccc3Br)CCO2)n[nH]1 ZINC000173543498 532017952 /nfs/dbraw/zinc/01/79/52/532017952.db2.gz UYENNCNLJWJJGY-AWEZNQCLSA-N 0 1 379.258 2.408 10 0 GEAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)n[nH]1 ZINC000122371684 532067407 /nfs/dbraw/zinc/06/74/07/532067407.db2.gz QEPGIHRDFDCMPD-GFCCVEGCSA-N 0 1 381.230 2.049 10 0 GEAEMN CCc1nc([C@@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)CCO2)n[nH]1 ZINC000124359205 532119803 /nfs/dbraw/zinc/11/98/03/532119803.db2.gz IXKCYIFTTKHPLS-ZDUSSCGKSA-N 0 1 388.852 2.063 10 0 GEAEMN CCN1CCC[C@H]1CN(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000176322010 532134082 /nfs/dbraw/zinc/13/40/82/532134082.db2.gz LQXGCRSMKVJHJA-HNNXBMFYSA-N 0 1 387.933 2.239 10 0 GEAEMN CC[C@@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CCN1CCOC ZINC000129170880 532174128 /nfs/dbraw/zinc/17/41/28/532174128.db2.gz SOEQBYVYRCATAX-GFCCVEGCSA-N 0 1 388.281 2.234 10 0 GEAEMN O[C@@H](COc1cccc(Br)c1)CN1CCOC2(CCOCC2)C1 ZINC000178594854 532206189 /nfs/dbraw/zinc/20/61/89/532206189.db2.gz OXXOQAZWZHVONY-OAHLLOKOSA-N 0 1 386.286 2.070 10 0 GEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181741436 532305778 /nfs/dbraw/zinc/30/57/78/532305778.db2.gz YCVBQGNPNBQGGT-LLVKDONJSA-N 0 1 375.803 2.480 10 0 GEAEMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC(C)C)CN(C)C ZINC000188220925 532347363 /nfs/dbraw/zinc/34/73/63/532347363.db2.gz JWKZLNANGIMWDL-ZDUSSCGKSA-N 0 1 376.906 2.381 10 0 GEAEMN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCOC[C@H]1c1nnc[nH]1 ZINC000375192327 532541446 /nfs/dbraw/zinc/54/14/46/532541446.db2.gz MOTIGFJMROTAJT-JTQLQIEISA-N 0 1 396.778 2.239 10 0 GEAEMN CC[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCN1C[C@H](C)O ZINC000246905005 532544390 /nfs/dbraw/zinc/54/43/90/532544390.db2.gz PUAZCIGSPBSAMW-GXTWGEPZSA-N 0 1 387.293 2.434 10 0 GEAEMN CC[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CCN1CCOC ZINC000245913602 532526433 /nfs/dbraw/zinc/52/64/33/532526433.db2.gz VWJVEZAARYVRAP-HZPDHXFCSA-N 0 1 384.318 2.018 10 0 GEAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000248896547 532556809 /nfs/dbraw/zinc/55/68/09/532556809.db2.gz VJGIOYGGDNTLNP-UWVGGRQHSA-N 0 1 376.837 2.035 10 0 GEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Nc2ccncc2Br)C1 ZINC000263068151 532614117 /nfs/dbraw/zinc/61/41/17/532614117.db2.gz PMPYTDUDVNCJCC-UHFFFAOYSA-N 0 1 397.273 2.293 10 0 GEAEMN C[N@@H+](CC(=O)[O-])C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262889847 532605388 /nfs/dbraw/zinc/60/53/88/532605388.db2.gz GSLWVDQOUJZFAW-UHFFFAOYSA-N 0 1 385.258 2.159 10 0 GEAEMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262899856 532606429 /nfs/dbraw/zinc/60/64/29/532606429.db2.gz HZVYMSWDHFVRLA-OCCSQVGLSA-N 0 1 386.901 2.064 10 0 GEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(SC)c(Cl)c2)C1 ZINC000263469562 532626315 /nfs/dbraw/zinc/62/63/15/532626315.db2.gz HHNJJSKCLGLQDN-UHFFFAOYSA-N 0 1 392.930 2.278 10 0 GEAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000263474905 532626721 /nfs/dbraw/zinc/62/67/21/532626721.db2.gz FDQGTIVCLAOPEX-LBPRGKRZSA-N 0 1 378.803 2.159 10 0 GEAEMN CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000263470988 532626760 /nfs/dbraw/zinc/62/67/60/532626760.db2.gz HSCYSBYNDVIIKC-UHFFFAOYSA-N 0 1 381.281 2.209 10 0 GEAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000263495215 532628014 /nfs/dbraw/zinc/62/80/14/532628014.db2.gz QMHXYROUXINXDU-UHFFFAOYSA-N 0 1 386.901 2.087 10 0 GEAEMN CN(C)c1cc(Cl)cc(Cl)c1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263517443 532628708 /nfs/dbraw/zinc/62/87/08/532628708.db2.gz PGYSSVVZZALHDU-ZDUSSCGKSA-N 0 1 390.311 2.277 10 0 GEAEMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCc1cccc(OC(F)(F)F)c1 ZINC000012300276 204390744 /nfs/dbraw/zinc/39/07/44/204390744.db2.gz AZGCOHUAMBULIC-MRXNPFEDSA-N 0 1 399.413 2.335 10 0 GEAEMN CN1CCN(CCNC(=O)CCc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000065061279 205208589 /nfs/dbraw/zinc/20/85/89/205208589.db2.gz UBWWVPIOALVXLL-UHFFFAOYSA-N 0 1 391.519 2.298 10 0 GEAEMN NC(=O)c1cccc(C[C@@H]2CCN(CC(=O)N3CCOc4ccccc43)C2)c1 ZINC000072120908 205304256 /nfs/dbraw/zinc/30/42/56/205304256.db2.gz PISDRUNSUPFLCJ-KRWDZBQOSA-N 0 1 379.460 2.076 10 0 GEAEMN Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000224304533 136206678 /nfs/dbraw/zinc/20/66/78/136206678.db2.gz ZXAMHYQWSOBVGF-UHFFFAOYSA-N 0 1 384.408 2.009 10 0 GEAEMN CC(C)N1CC[NH+]([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957773 570470536 /nfs/dbraw/zinc/47/05/36/570470536.db2.gz FJIZNOKRRQTMLC-RBUKOAKNSA-N 0 1 389.496 2.124 10 0 GEAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000118859321 643525042 /nfs/dbraw/zinc/52/50/42/643525042.db2.gz NNUBDXFVIBRDHG-HNNXBMFYSA-N 0 1 384.318 2.085 10 0 GEAEMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000122770164 643660882 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/nfs/dbraw/zinc/40/19/16/645401916.db2.gz OBVJGERHXTXYTK-ZYHUDNBSSA-N 0 1 386.233 2.306 10 0 GEAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)c([O-])c1 ZINC000230894624 645401921 /nfs/dbraw/zinc/40/19/21/645401921.db2.gz OBVJGERHXTXYTK-ZYHUDNBSSA-N 0 1 386.233 2.306 10 0 GEAEMN COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000245413966 645452844 /nfs/dbraw/zinc/45/28/44/645452844.db2.gz CKVZHTDWIUOSQZ-RYUDHWBXSA-N 0 1 389.315 2.315 10 0 GEAEMN COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000245413966 645452846 /nfs/dbraw/zinc/45/28/46/645452846.db2.gz CKVZHTDWIUOSQZ-RYUDHWBXSA-N 0 1 389.315 2.315 10 0 GEAEMN COc1cc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1Br ZINC000245426448 645454252 /nfs/dbraw/zinc/45/42/52/645454252.db2.gz UZSJDGZHKJPDJD-RYUDHWBXSA-N 0 1 389.315 2.315 10 0 GEAEMN C[C@@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1N1CCOCC1 ZINC000248539829 645530896 /nfs/dbraw/zinc/53/08/96/645530896.db2.gz AZUHVCMWIZVHNA-MLGOLLRUSA-N 0 1 379.302 2.478 10 0 GEAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000248908017 645542823 /nfs/dbraw/zinc/54/28/23/645542823.db2.gz ZEJABYIOPURBNC-UWVGGRQHSA-N 0 1 376.837 2.035 10 0 GEAEMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](N)COC)CC1 ZINC000262320776 645626914 /nfs/dbraw/zinc/62/69/14/645626914.db2.gz QHGPECAQIXNPKF-CVEARBPZSA-N 0 1 384.318 2.018 10 0 GEAEMN CC[C@@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263221054 645657507 /nfs/dbraw/zinc/65/75/07/645657507.db2.gz KQJBDSCHDJSPSK-NWDGAFQWSA-N 0 1 389.905 2.279 10 0 GEAEMN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Br ZINC000701867405 653319605 /nfs/dbraw/zinc/31/96/05/653319605.db2.gz LMNHNGBXWBOECZ-RXMQYKEDSA-N 0 1 392.138 2.159 10 0 GEAEMN COCCN1CCN([C@H](C(=O)OC)c2cccc(Br)c2)C[C@@H]1C ZINC000120864239 532000659 /nfs/dbraw/zinc/00/06/59/532000659.db2.gz PRXUNZUQBZECAI-BBRMVZONSA-N 0 1 385.302 2.316 10 0 GEAEMN Cc1nc([C@@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000174099345 532048510 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CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181741413 532305880 /nfs/dbraw/zinc/30/58/80/532305880.db2.gz YCVBQGNPNBQGGT-NSHDSACASA-N 0 1 375.803 2.480 10 0 GEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000187127695 532343243 /nfs/dbraw/zinc/34/32/43/532343243.db2.gz BQOLFTKHISBGFR-LLVKDONJSA-N 0 1 386.265 2.436 10 0 GEAEMN CCc1nc([C@@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)n[nH]1 ZINC000188062718 532346497 /nfs/dbraw/zinc/34/64/97/532346497.db2.gz KGSKTELLRQEWJN-VIFPVBQESA-N 0 1 376.891 2.153 10 0 GEAEMN CN(C)S(=O)(=O)c1cccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188123116 532346767 /nfs/dbraw/zinc/34/67/67/532346767.db2.gz TXYYTQJGZFPEGN-WMZOPIPTSA-N 0 1 380.535 2.206 10 0 GEAEMN C[C@H]1C(=O)NCCCN1CCCOc1cccc(I)c1 ZINC000189102679 532350946 /nfs/dbraw/zinc/35/09/46/532350946.db2.gz VGJUMFFSNCELMA-LBPRGKRZSA-N 0 1 388.249 2.271 10 0 GEAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000194150904 532441968 /nfs/dbraw/zinc/44/19/68/532441968.db2.gz WODCQSYHJYKXDF-LLVKDONJSA-N 0 1 375.803 2.480 10 0 GEAEMN C[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000246488960 532540038 /nfs/dbraw/zinc/54/00/38/532540038.db2.gz IFZLYPGSNVAERH-ZFWWWQNUSA-N 0 1 387.343 2.391 10 0 GEAEMN COc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000262999338 532610720 /nfs/dbraw/zinc/61/07/20/532610720.db2.gz WXKPVEBIXJSGAH-CYBMUJFWSA-N 0 1 399.285 2.469 10 0 GEAEMN CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)CC1 ZINC000263013230 532611352 /nfs/dbraw/zinc/61/13/52/532611352.db2.gz ZAQNINRPBXWMBT-OAHLLOKOSA-N 0 1 384.274 2.132 10 0 GEAEMN CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)CC1 ZINC000263013230 532611357 /nfs/dbraw/zinc/61/13/57/532611357.db2.gz ZAQNINRPBXWMBT-OAHLLOKOSA-N 0 1 384.274 2.132 10 0 GEAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)c(Br)c2)CCO1 ZINC000263529593 532629751 /nfs/dbraw/zinc/62/97/51/532629751.db2.gz VTQAYRXKBJHTBX-LBPRGKRZSA-N 0 1 391.693 2.320 10 0 GEAEMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c([O-])c1 ZINC000300416434 532739239 /nfs/dbraw/zinc/73/92/39/532739239.db2.gz OBVJGERHXTXYTK-JQWIXIFHSA-N 0 1 386.233 2.306 10 0 GEAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c([O-])c1 ZINC000300416434 532739246 /nfs/dbraw/zinc/73/92/46/532739246.db2.gz OBVJGERHXTXYTK-JQWIXIFHSA-N 0 1 386.233 2.306 10 0 GEAEMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000014962899 207035483 /nfs/dbraw/zinc/03/54/83/207035483.db2.gz CAPBJPGKBXOBPE-QGZVFWFLSA-N 0 1 399.495 2.288 10 0 GEAEMN Cn1ccnc(N2CCC[C@H](NCc3csc(Br)c3)C2)c1=O ZINC000275550467 532878570 /nfs/dbraw/zinc/87/85/70/532878570.db2.gz NHIFQROYLBIWFR-LBPRGKRZSA-N 0 1 383.315 2.363 10 0 GEAEMN N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000022048465 207247145 /nfs/dbraw/zinc/24/71/45/207247145.db2.gz ZPUBJRYDIOHUPW-HAYURNKSSA-N 0 1 378.538 2.432 10 0 in-vitro GEAEMN N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000022048465 207247148 /nfs/dbraw/zinc/24/71/48/207247148.db2.gz ZPUBJRYDIOHUPW-HAYURNKSSA-N 0 1 378.538 2.432 10 0 in-vitro GEAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000367474978 532925422 /nfs/dbraw/zinc/92/54/22/532925422.db2.gz ATFBBWKJOBMSNM-LRDDRELGSA-N 0 1 391.269 2.272 10 0 GEAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000367474978 532925424 /nfs/dbraw/zinc/92/54/24/532925424.db2.gz ATFBBWKJOBMSNM-LRDDRELGSA-N 0 1 391.269 2.272 10 0 GEAEMN COc1ccc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)cc1Cl ZINC000091997927 208147084 /nfs/dbraw/zinc/14/70/84/208147084.db2.gz KEYYVRCNGJVZBA-NSHDSACASA-N 0 1 388.855 2.230 10 0 GEAEMN Cc1ccc(C)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 ZINC000224303010 136206624 /nfs/dbraw/zinc/20/66/24/136206624.db2.gz OEDNNPFTIZJFTE-UHFFFAOYSA-N 0 1 376.482 2.348 10 0 GEAEMN Cc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1 ZINC000224331582 136206884 /nfs/dbraw/zinc/20/68/84/136206884.db2.gz HYDOFJAOYKKNSN-UHFFFAOYSA-N 0 1 396.495 2.284 10 0 GEAEMN Cc1cc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c(C)o1 ZINC000583618333 570800516 /nfs/dbraw/zinc/80/05/16/570800516.db2.gz OTJJKKJOINZAJB-GOSISDBHSA-N 0 1 386.496 2.251 10 0 GEAEMN CCc1c(NC(=O)[C@@H](C)NC(N)=O)[nH]nc1-c1ccc(Br)cc1 ZINC000111148378 643328081 /nfs/dbraw/zinc/32/80/81/643328081.db2.gz FNGIODWBMAZGAR-MRVPVSSYSA-N 0 1 380.246 2.397 10 0 GEAEMN O=C(c1ccc(Br)cc1-n1cncn1)N1CCN2CCCC[C@H]2C1 ZINC000119552256 643557233 /nfs/dbraw/zinc/55/72/33/643557233.db2.gz XJDAZTDWUWLECI-AWEZNQCLSA-N 0 1 390.285 2.340 10 0 GEAEMN COc1cc(Cl)c(S(=O)(=O)NC[C@H](O)CN2CCCCC2)cc1Cl ZINC000158978355 644170601 /nfs/dbraw/zinc/17/06/01/644170601.db2.gz LSEIRGRGPCMNQL-NSHDSACASA-N 0 1 397.324 2.127 10 0 GEAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174077351 644367866 /nfs/dbraw/zinc/36/78/66/644367866.db2.gz WQHKIKLAPYHJTK-ZIAGYGMSSA-N 0 1 384.318 2.165 10 0 GEAEMN Cc1nc([C@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000247537175 645512382 /nfs/dbraw/zinc/51/23/82/645512382.db2.gz OVTSARSUKDUHFD-BXUZGUMPSA-N 0 1 387.267 2.233 10 0 GEAEMN CC[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCN1C[C@H](C)O ZINC000248482761 645529085 /nfs/dbraw/zinc/52/90/85/645529085.db2.gz JCOFTGRREXQHAE-BBRMVZONSA-N 0 1 384.318 2.436 10 0 GEAEMN CC[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@H+]1C[C@H](C)O ZINC000248509934 645529819 /nfs/dbraw/zinc/52/98/19/645529819.db2.gz ZJZMXFYZAGZNGU-QWRGUYRKSA-N 0 1 380.436 2.149 10 0 GEAEMN CC[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CCN1C[C@H](C)O ZINC000248509934 645529822 /nfs/dbraw/zinc/52/98/22/645529822.db2.gz ZJZMXFYZAGZNGU-QWRGUYRKSA-N 0 1 380.436 2.149 10 0 GEAEMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000248714147 645534470 /nfs/dbraw/zinc/53/44/70/645534470.db2.gz DMFOLSRONWLVKM-DGCLKSJQSA-N 0 1 376.906 2.364 10 0 GEAEMN COC(=O)c1cc(Cl)cc(Cl)c1N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262105602 645616964 /nfs/dbraw/zinc/61/69/64/645616964.db2.gz JQEHOFHUYFFCIS-NSHDSACASA-N 0 1 391.251 2.002 10 0 GEAEMN 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