smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159413008 531782307 /nfs/dbraw/zinc/78/23/07/531782307.db2.gz FNEMUAPIXYVMLE-JTQLQIEISA-N 0 3 386.499 2.110 20 70 GEIDHN CC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)N(C)C ZINC000160136567 531805582 /nfs/dbraw/zinc/80/55/82/531805582.db2.gz VECVUJHNBMHQKU-HNNXBMFYSA-N 0 3 382.302 2.074 20 70 GEIDHN C[C@H](CC(=O)Nc1cccc(Br)c1)NCC(=O)NCC(F)(F)F ZINC000160524280 531810054 /nfs/dbraw/zinc/81/00/54/531810054.db2.gz FKXCCWKPKKWKHF-SECBINFHSA-N 0 3 396.207 2.434 20 70 GEIDHN C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160553309 531810403 /nfs/dbraw/zinc/81/04/03/531810403.db2.gz SVJAFOXFZQNALP-DZGCQCFKSA-N 0 3 385.302 2.179 20 70 GEIDHN COc1ccc(CCC(=O)NCC2CCN(CCO)CC2)cc1Br ZINC000160620839 531813117 /nfs/dbraw/zinc/81/31/17/531813117.db2.gz UPEYMOKCBDSTEO-UHFFFAOYSA-N 0 3 399.329 2.211 20 70 GEIDHN [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000161370984 531832619 /nfs/dbraw/zinc/83/26/19/531832619.db2.gz QPMMPVCYOSEHQZ-GHMZBOCLSA-N 0 3 394.324 2.048 20 70 GEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)cc(Br)cc1F ZINC000160014465 531802325 /nfs/dbraw/zinc/80/23/25/531802325.db2.gz BOKVKSFWOCSTRN-LLVKDONJSA-N 0 3 377.229 2.304 20 70 GEIDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000159756314 531792208 /nfs/dbraw/zinc/79/22/08/531792208.db2.gz UDMGXDPNXMOWEC-CYBMUJFWSA-N 0 3 383.290 2.163 20 70 GEIDHN COc1ccc(Br)cc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159404769 531782376 /nfs/dbraw/zinc/78/23/76/531782376.db2.gz ACDWVCMFYDDANF-INIZCTEOSA-N 0 3 396.329 2.372 20 70 GEIDHN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160553148 531810899 /nfs/dbraw/zinc/81/08/99/531810899.db2.gz SVJAFOXFZQNALP-HIFRSBDPSA-N 0 3 385.302 2.179 20 70 GEIDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC(=O)NCC(F)(F)F ZINC000160524171 531810574 /nfs/dbraw/zinc/81/05/74/531810574.db2.gz FKXCCWKPKKWKHF-VIFPVBQESA-N 0 3 396.207 2.434 20 70 GEIDHN Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(O)CC3)cc2)s1 ZINC000161135394 531826349 /nfs/dbraw/zinc/82/63/49/531826349.db2.gz ZZZOLXBOTGJRRG-UHFFFAOYSA-N 0 3 380.535 2.492 20 70 GEIDHN C[C@H](N)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000159824066 531795247 /nfs/dbraw/zinc/79/52/47/531795247.db2.gz LANOOHMMOLIWIU-GWCFXTLKSA-N 0 3 379.258 2.434 20 70 GEIDHN CC(C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)S(C)(=O)=O ZINC000159930660 531800183 /nfs/dbraw/zinc/80/01/83/531800183.db2.gz RYPUSHDUZRJAED-GYSYKLTISA-N 0 3 390.299 2.171 20 70 GEIDHN C[C@@H](Oc1ccccc1Br)C(=O)NCC1CCN(CCO)CC1 ZINC000160605072 531813411 /nfs/dbraw/zinc/81/34/11/531813411.db2.gz JKCQRESISIGZOJ-CYBMUJFWSA-N 0 3 385.302 2.037 20 70 GEIDHN [NH3+][C@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000161370882 531832675 /nfs/dbraw/zinc/83/26/75/531832675.db2.gz QPMMPVCYOSEHQZ-QWRGUYRKSA-N 0 3 394.324 2.048 20 70 GEIDHN CCN1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000159529951 531785936 /nfs/dbraw/zinc/78/59/36/531785936.db2.gz QTNQRJPIRKKVAO-UHFFFAOYSA-N 0 3 397.317 2.433 20 70 GEIDHN O=C(CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCC(F)(F)F ZINC000160597857 531811996 /nfs/dbraw/zinc/81/19/96/531811996.db2.gz CJPFSPIHXIZMBF-UHFFFAOYSA-N 0 3 377.794 2.213 20 70 GEIDHN O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H](O)CN1CCCCC1 ZINC000160632660 531812166 /nfs/dbraw/zinc/81/21/66/531812166.db2.gz JNEFZYDMKJNWNV-OAHLLOKOSA-N 0 3 394.313 2.436 20 70 GEIDHN C[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000160685037 531814618 /nfs/dbraw/zinc/81/46/18/531814618.db2.gz KBEFZJHELWRBAR-LLVKDONJSA-N 0 3 375.332 2.435 20 70 GEIDHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159407849 531780877 /nfs/dbraw/zinc/78/08/77/531780877.db2.gz PUIGAJBBAHTFQM-MWLCHTKSSA-N 0 3 386.499 2.110 20 70 GEIDHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159407968 531782158 /nfs/dbraw/zinc/78/21/58/531782158.db2.gz PUIGAJBBAHTFQM-GXSJLCMTSA-N 0 3 386.499 2.110 20 70 GEIDHN CC[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)N(C)C ZINC000160136716 531806846 /nfs/dbraw/zinc/80/68/46/531806846.db2.gz VECVUJHNBMHQKU-OAHLLOKOSA-N 0 3 382.302 2.074 20 70 GEIDHN C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160553009 531811162 /nfs/dbraw/zinc/81/11/62/531811162.db2.gz SVJAFOXFZQNALP-ZFWWWQNUSA-N 0 3 385.302 2.179 20 70 GEIDHN CN1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000159508055 531782861 /nfs/dbraw/zinc/78/28/61/531782861.db2.gz MHEDNRLIJAJEIH-NSHDSACASA-N 0 3 378.270 2.362 20 70 GEIDHN O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H](O)CN1CCCCC1 ZINC000160632555 531812306 /nfs/dbraw/zinc/81/23/06/531812306.db2.gz JNEFZYDMKJNWNV-HNNXBMFYSA-N 0 3 394.313 2.436 20 70 GEIDHN O=C(NCC1CCN(CCO)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000160674581 531814654 /nfs/dbraw/zinc/81/46/54/531814654.db2.gz GVKWBXQOMZKGBV-UHFFFAOYSA-N 0 3 380.286 2.365 20 70 GEIDHN O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160684238 531815293 /nfs/dbraw/zinc/81/52/93/531815293.db2.gz SLZDKUYUMNXKFM-MRXNPFEDSA-N 0 3 384.929 2.219 20 70 GEIDHN COCCN(C)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000161173814 531826646 /nfs/dbraw/zinc/82/66/46/531826646.db2.gz QWKPUZXXTICNJN-GFCCVEGCSA-N 0 3 375.282 2.461 20 70 GEIDHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159408157 531781940 /nfs/dbraw/zinc/78/19/40/531781940.db2.gz PUIGAJBBAHTFQM-KOLCDFICSA-N 0 3 386.499 2.110 20 70 GEIDHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159401603 531779252 /nfs/dbraw/zinc/77/92/52/531779252.db2.gz NUNJZFRWONIDQE-VIFPVBQESA-N 0 3 383.392 2.099 20 70 GEIDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(C)(C)S(C)(=O)=O ZINC000159906833 531798784 /nfs/dbraw/zinc/79/87/84/531798784.db2.gz DJQSKBRZXQNYQT-LLVKDONJSA-N 0 3 376.906 2.479 20 70 GEIDHN COc1ccc(Br)c(CC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000160524066 531810189 /nfs/dbraw/zinc/81/01/89/531810189.db2.gz VDQCRKCFTNCFBA-UHFFFAOYSA-N 0 3 398.345 2.096 20 70 GEIDHN COc1c(Br)c(C)sc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160533525 531811429 /nfs/dbraw/zinc/81/14/29/531811429.db2.gz NCBQKSWYSQEXOL-NSHDSACASA-N 0 3 391.331 2.404 20 70 GEIDHN CN1CCC(NC(=O)c2cc(I)c(F)cc2F)CC1 ZINC000161076507 531824881 /nfs/dbraw/zinc/82/48/81/531824881.db2.gz PPBMDEBPOUHPFT-UHFFFAOYSA-N 0 3 380.176 2.393 20 70 GEIDHN COCCN(C)CCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000161173695 531826283 /nfs/dbraw/zinc/82/62/83/531826283.db2.gz QWKPUZXXTICNJN-LBPRGKRZSA-N 0 3 375.282 2.461 20 70 GEIDHN [NH3+][C@@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000161371070 531831569 /nfs/dbraw/zinc/83/15/69/531831569.db2.gz QPMMPVCYOSEHQZ-MNOVXSKESA-N 0 3 394.324 2.048 20 70 GEIDHN COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810198 720201476 /nfs/dbraw/zinc/20/14/76/720201476.db2.gz AJLFHEIVXFGCJE-VQIMIIECSA-N 0 3 397.516 2.233 20 70 GEIDHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159405867 531781419 /nfs/dbraw/zinc/78/14/19/531781419.db2.gz MBFUXVJPXBSBQS-JTQLQIEISA-N 0 3 386.499 2.110 20 70 GEIDHN C[C@@H](N)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000159824353 531795456 /nfs/dbraw/zinc/79/54/56/531795456.db2.gz LANOOHMMOLIWIU-MFKMUULPSA-N 0 3 379.258 2.434 20 70 GEIDHN COCCN1CCC[C@H]1CNC(=O)Cc1cc(OC)ccc1Br ZINC000159914968 531797455 /nfs/dbraw/zinc/79/74/55/531797455.db2.gz IXWIPEHWDCDAJT-AWEZNQCLSA-N 0 3 385.302 2.227 20 70 GEIDHN CC(C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C)S(C)(=O)=O ZINC000159930801 531799486 /nfs/dbraw/zinc/79/94/86/531799486.db2.gz RYPUSHDUZRJAED-WDMOLILDSA-N 0 3 390.299 2.171 20 70 GEIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccnc(SCC(F)(F)F)c1 ZINC000160637947 531814907 /nfs/dbraw/zinc/81/49/07/531814907.db2.gz JWVLCBLARQICJB-ZDUSSCGKSA-N 0 3 377.432 2.313 20 70 GEIDHN CCN1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000159524014 531786499 /nfs/dbraw/zinc/78/64/99/531786499.db2.gz NZYQHCBRKNODLQ-UHFFFAOYSA-N 0 3 378.270 2.458 20 70 GEIDHN COCCN1CCC[C@@H]1CNC(=O)Cc1cc(OC)ccc1Br ZINC000159914815 531798428 /nfs/dbraw/zinc/79/84/28/531798428.db2.gz IXWIPEHWDCDAJT-CQSZACIVSA-N 0 3 385.302 2.227 20 70 GEIDHN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(=O)NCC(F)(F)F ZINC000160594409 531812456 /nfs/dbraw/zinc/81/24/56/531812456.db2.gz VRZJYVJZATTZOH-LLVKDONJSA-N 0 3 379.810 2.345 20 70 GEIDHN COc1ccc(Br)cc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159404625 531782222 /nfs/dbraw/zinc/78/22/22/531782222.db2.gz ACDWVCMFYDDANF-MRXNPFEDSA-N 0 3 396.329 2.372 20 70 GEIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000160084294 531804604 /nfs/dbraw/zinc/80/46/04/531804604.db2.gz QIVGGNLDKHOARH-STQMWFEESA-N 0 3 375.416 2.007 20 70 GEIDHN CN1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000159507890 531784316 /nfs/dbraw/zinc/78/43/16/531784316.db2.gz MHEDNRLIJAJEIH-LLVKDONJSA-N 0 3 378.270 2.362 20 70 GEIDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000159756431 531792042 /nfs/dbraw/zinc/79/20/42/531792042.db2.gz UDMGXDPNXMOWEC-ZDUSSCGKSA-N 0 3 383.290 2.163 20 70 GEIDHN CCN1CCCN(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000159787528 531794508 /nfs/dbraw/zinc/79/45/08/531794508.db2.gz LEODSOXAUFLOCQ-UHFFFAOYSA-N 0 3 397.317 2.433 20 70 GEIDHN CC(C)[C@@H](N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000160997761 531822869 /nfs/dbraw/zinc/82/28/69/531822869.db2.gz SSXMFALVUFUOIY-CYBMUJFWSA-N 0 3 391.331 2.101 20 70 GEIDHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159405739 531782175 /nfs/dbraw/zinc/78/21/75/531782175.db2.gz MBFUXVJPXBSBQS-SNVBAGLBSA-N 0 3 386.499 2.110 20 70 GEIDHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCCCN1 ZINC000159525077 531785836 /nfs/dbraw/zinc/78/58/36/531785836.db2.gz BMEUUFUABFLETL-HNNXBMFYSA-N 0 3 382.302 2.056 20 70 GEIDHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159401731 531780265 /nfs/dbraw/zinc/78/02/65/531780265.db2.gz NUNJZFRWONIDQE-SECBINFHSA-N 0 3 383.392 2.099 20 70 GEIDHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810186 720201339 /nfs/dbraw/zinc/20/13/39/720201339.db2.gz AJLFHEIVXFGCJE-APWZRJJASA-N 0 3 397.516 2.233 20 70 GEIDHN CCN1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000159725776 531791441 /nfs/dbraw/zinc/79/14/41/531791441.db2.gz DPPDSIZGHGXJME-UHFFFAOYSA-N 0 3 380.290 2.334 20 70 GEIDHN COc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1Br ZINC000159995612 531802604 /nfs/dbraw/zinc/80/26/04/531802604.db2.gz ZLQQWEDJLKYKAG-OAHLLOKOSA-N 0 3 399.329 2.353 20 70 GEIDHN O=C(CNC1CCN(C(=O)c2ccccc2Cl)CC1)NCC(F)(F)F ZINC000160520966 531809601 /nfs/dbraw/zinc/80/96/01/531809601.db2.gz MQOIBWXCNKNGIU-UHFFFAOYSA-N 0 3 377.794 2.213 20 70 GEIDHN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160553426 531810816 /nfs/dbraw/zinc/81/08/16/531810816.db2.gz SVJAFOXFZQNALP-UKRRQHHQSA-N 0 3 385.302 2.179 20 70 GEIDHN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(=O)NCC(F)(F)F ZINC000160594317 531812279 /nfs/dbraw/zinc/81/22/79/531812279.db2.gz VRZJYVJZATTZOH-NSHDSACASA-N 0 3 379.810 2.345 20 70 GEIDHN COCCN(C)CCNC(=O)c1cc(I)cc(C)c1C ZINC000161174808 531826128 /nfs/dbraw/zinc/82/61/28/531826128.db2.gz SPVOKFPVSJZTCG-UHFFFAOYSA-N 0 3 390.265 2.216 20 70 GEIDHN C[C@H](Cn1cc(Br)cn1)NCc1ccccc1CS(C)(=O)=O ZINC000160942927 531821965 /nfs/dbraw/zinc/82/19/65/531821965.db2.gz QIPQCKYMLFYUCS-GFCCVEGCSA-N 0 3 386.315 2.369 20 70 GEIDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(C)(C)S(C)(=O)=O ZINC000159906696 531798534 /nfs/dbraw/zinc/79/85/34/531798534.db2.gz DJQSKBRZXQNYQT-NSHDSACASA-N 0 3 376.906 2.479 20 70 GEIDHN CC(C)[C@H](N)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000160997649 531822536 /nfs/dbraw/zinc/82/25/36/531822536.db2.gz SSXMFALVUFUOIY-ZDUSSCGKSA-N 0 3 391.331 2.101 20 70 GEIDHN CN(CCCN1CCN(C)CC1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161194265 531826468 /nfs/dbraw/zinc/82/64/68/531826468.db2.gz GMGVTBDQTVPFTP-UHFFFAOYSA-N 0 3 380.334 2.395 20 70 GEIDHN CN(CCCN1CCN(C)CC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161194265 531826475 /nfs/dbraw/zinc/82/64/75/531826475.db2.gz GMGVTBDQTVPFTP-UHFFFAOYSA-N 0 3 380.334 2.395 20 70 GEIDHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810196 720201521 /nfs/dbraw/zinc/20/15/21/720201521.db2.gz AJLFHEIVXFGCJE-QFBILLFUSA-N 0 3 397.516 2.233 20 70 GEIDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000159425268 531781497 /nfs/dbraw/zinc/78/14/97/531781497.db2.gz JDDFJGUULPHLTH-KRWDZBQOSA-N 0 3 396.329 2.242 20 70 GEIDHN O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160684120 531814595 /nfs/dbraw/zinc/81/45/95/531814595.db2.gz SLZDKUYUMNXKFM-INIZCTEOSA-N 0 3 384.929 2.219 20 70 GEIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccnc(SCC(F)(F)F)c1 ZINC000160638051 531814778 /nfs/dbraw/zinc/81/47/78/531814778.db2.gz JWVLCBLARQICJB-CYBMUJFWSA-N 0 3 377.432 2.313 20 70 GEIDHN NC(=O)[C@H](c1cccc(Br)c1)N1CCN(c2ccncc2)CC1 ZINC000161241796 531828143 /nfs/dbraw/zinc/82/81/43/531828143.db2.gz RNUKTFBYAPWXTM-INIZCTEOSA-N 0 3 375.270 2.193 20 70 GEIDHN NC(=O)[C@H]1CCCN1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000159425138 531782120 /nfs/dbraw/zinc/78/21/20/531782120.db2.gz JDDFJGUULPHLTH-QGZVFWFLSA-N 0 3 396.329 2.242 20 70 GEIDHN CC(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C)S(C)(=O)=O ZINC000159930516 531800274 /nfs/dbraw/zinc/80/02/74/531800274.db2.gz RYPUSHDUZRJAED-MISXGVKJSA-N 0 3 390.299 2.171 20 70 GEIDHN O=C(NCC1CCN(CCO)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000160620588 531813378 /nfs/dbraw/zinc/81/33/78/531813378.db2.gz NXRPPFOKZLFKOX-UHFFFAOYSA-N 0 3 381.314 2.301 20 70 GEIDHN O=C(NCC1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000160637393 531815043 /nfs/dbraw/zinc/81/50/43/531815043.db2.gz GHRXTEFRJRLPNS-DLBZAZTESA-N 0 3 381.314 2.373 20 70 GEIDHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159408264 531782062 /nfs/dbraw/zinc/78/20/62/531782062.db2.gz PUIGAJBBAHTFQM-ONGXEEELSA-N 0 3 386.499 2.110 20 70 GEIDHN C[NH+](C)C[C@@H](O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000160115859 531806013 /nfs/dbraw/zinc/80/60/13/531806013.db2.gz YWWXLBBALNMWCR-OAHLLOKOSA-N 0 3 384.885 2.442 20 70 GEIDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccccc1CS(C)(=O)=O ZINC000160942805 531822682 /nfs/dbraw/zinc/82/26/82/531822682.db2.gz QIPQCKYMLFYUCS-LBPRGKRZSA-N 0 3 386.315 2.369 20 70 GEIDHN [NH3+][C@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000161370780 531832561 /nfs/dbraw/zinc/83/25/61/531832561.db2.gz QPMMPVCYOSEHQZ-WDEREUQCSA-N 0 3 394.324 2.048 20 70 GEIDHN COc1ccc(CCC(=O)NC[C@H](O)CN2CCCCC2)cc1Br ZINC000159995481 531801364 /nfs/dbraw/zinc/80/13/64/531801364.db2.gz ZLQQWEDJLKYKAG-HNNXBMFYSA-N 0 3 399.329 2.353 20 70 GEIDHN COc1ccc(Br)c(CC(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000159790693 531793952 /nfs/dbraw/zinc/79/39/52/531793952.db2.gz NCGOEMZUZOMLRU-UHFFFAOYSA-N 0 3 381.274 2.397 20 70 GEIDHN CSCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000160084190 531804369 /nfs/dbraw/zinc/80/43/69/531804369.db2.gz QIVGGNLDKHOARH-QWHCGFSZSA-N 0 3 375.416 2.007 20 70 GEIDHN O=C(NCC1CCN(CCO)CC1)c1c[nH]c2cccc(Br)c12 ZINC000160006460 531802144 /nfs/dbraw/zinc/80/21/44/531802144.db2.gz GAMKDHOIEBDZMJ-UHFFFAOYSA-N 0 3 380.286 2.365 20 70 GEIDHN CCN(CC)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000159942855 531799647 /nfs/dbraw/zinc/79/96/47/531799647.db2.gz QPDRDOOAEHRCET-UHFFFAOYSA-N 0 3 378.336 2.135 20 70 GEIDHN C[NH+](C)C[C@H](O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000160115729 531806871 /nfs/dbraw/zinc/80/68/71/531806871.db2.gz YWWXLBBALNMWCR-HNNXBMFYSA-N 0 3 384.885 2.442 20 70 GEIDHN CCS(=O)(=O)CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000160798406 531816206 /nfs/dbraw/zinc/81/62/06/531816206.db2.gz KLCRPNSJUDMMKY-UHFFFAOYSA-N 0 3 387.571 2.036 20 70 GEIDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000161326850 531832286 /nfs/dbraw/zinc/83/22/86/531832286.db2.gz FVIBVNOXTAXLLW-ZDUSSCGKSA-N 0 3 398.305 2.388 20 70 GEIDHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159412852 531781249 /nfs/dbraw/zinc/78/12/49/531781249.db2.gz FNEMUAPIXYVMLE-SNVBAGLBSA-N 0 3 386.499 2.110 20 70 GEIDHN CCCCCNC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159410580 531781908 /nfs/dbraw/zinc/78/19/08/531781908.db2.gz KGKYACRSSBOPRE-NSHDSACASA-N 0 3 386.499 2.111 20 70 GEIDHN O=C(NC[C@H](O)CN1CCCCC1)c1c(F)cc(Br)cc1F ZINC000160014329 531802782 /nfs/dbraw/zinc/80/27/82/531802782.db2.gz BOKVKSFWOCSTRN-NSHDSACASA-N 0 3 377.229 2.304 20 70 GEIDHN C[C@@H](N)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000159824224 531796003 /nfs/dbraw/zinc/79/60/03/531796003.db2.gz LANOOHMMOLIWIU-ZWNOBZJWSA-N 0 3 379.258 2.434 20 70 GEIDHN C[C@H](N)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000159823903 531796091 /nfs/dbraw/zinc/79/60/91/531796091.db2.gz LANOOHMMOLIWIU-GXFFZTMASA-N 0 3 379.258 2.434 20 70 GEIDHN CC(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C)S(C)(=O)=O ZINC000159930398 531799692 /nfs/dbraw/zinc/79/96/92/531799692.db2.gz RYPUSHDUZRJAED-JTNHKYCSSA-N 0 3 390.299 2.171 20 70 GEIDHN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(=O)NCC(F)(F)F ZINC000160520289 531810645 /nfs/dbraw/zinc/81/06/45/531810645.db2.gz FUITVWIVLPYRKL-LLVKDONJSA-N 0 3 379.810 2.345 20 70 GEIDHN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(=O)NCC(F)(F)F ZINC000160520168 531811179 /nfs/dbraw/zinc/81/11/79/531811179.db2.gz FUITVWIVLPYRKL-NSHDSACASA-N 0 3 379.810 2.345 20 70 GEIDHN C[C@H](Oc1ccc(Br)cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160691742 531815018 /nfs/dbraw/zinc/81/50/18/531815018.db2.gz ZGLAJLMKVPLYCQ-ZDUSSCGKSA-N 0 3 385.302 2.037 20 70 GEIDHN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160691867 531815086 /nfs/dbraw/zinc/81/50/86/531815086.db2.gz ZGLAJLMKVPLYCQ-CYBMUJFWSA-N 0 3 385.302 2.037 20 70 GEIDHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810194 720202253 /nfs/dbraw/zinc/20/22/53/720202253.db2.gz AJLFHEIVXFGCJE-LPHOPBHVSA-N 0 3 397.516 2.233 20 70 GEIDHN CCCCCNC(=O)C(C)S(=O)(=O)Cc1noc(-c2scnc2C)n1 ZINC000159410440 531781853 /nfs/dbraw/zinc/78/18/53/531781853.db2.gz KGKYACRSSBOPRE-LLVKDONJSA-N 0 3 386.499 2.111 20 70 GEIDHN COc1ccc(Br)c(CC(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000159577295 531785221 /nfs/dbraw/zinc/78/52/21/531785221.db2.gz UPWWNACCJLVBSO-UHFFFAOYSA-N 0 3 381.274 2.397 20 70 GEIDHN C[C@H](Oc1ccccc1Br)C(=O)NCC1CCN(CCO)CC1 ZINC000160604939 531813052 /nfs/dbraw/zinc/81/30/52/531813052.db2.gz JKCQRESISIGZOJ-ZDUSSCGKSA-N 0 3 385.302 2.037 20 70 GEIDHN C[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccc(Br)s1 ZINC000160684901 531815514 /nfs/dbraw/zinc/81/55/14/531815514.db2.gz KBEFZJHELWRBAR-NSHDSACASA-N 0 3 375.332 2.435 20 70 GEIDHN COc1c(Br)c(C)sc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160533653 531809844 /nfs/dbraw/zinc/80/98/44/531809844.db2.gz NCBQKSWYSQEXOL-LLVKDONJSA-N 0 3 391.331 2.404 20 70 GEIDHN NC(=O)[C@@H](c1cccc(Br)c1)N1CCN(c2ccncc2)CC1 ZINC000161241906 531828488 /nfs/dbraw/zinc/82/84/88/531828488.db2.gz RNUKTFBYAPWXTM-MRXNPFEDSA-N 0 3 375.270 2.193 20 70 GEIDHN