smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000217456268 557169298 /nfs/dbraw/zinc/16/92/98/557169298.db2.gz WFQRJRRHQJBZPQ-LUKWVAJMSA-N 0 0 444.918 4.328 40 70 IIIBRN CCc1ccc(N2C(=O)c3c(C(=O)OC)nn([C@@]45C[C@@H]6C[C@@H](C[C@@](C)(C6)C4)C5)c3C2=O)cc1 ZINC000217689281 557173137 /nfs/dbraw/zinc/17/31/37/557173137.db2.gz WGEILXJYSGPPEZ-HFCBSXIXSA-N 0 0 447.535 4.348 40 70 IIIBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2ccc(Cl)cc2)CN1C ZINC000217724135 557173367 /nfs/dbraw/zinc/17/33/67/557173367.db2.gz RRKPADJAYXCCCA-GQOCTPOGSA-N 0 0 436.895 4.317 40 70 IIIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Br)cc1 ZINC000217871029 557174282 /nfs/dbraw/zinc/17/42/82/557174282.db2.gz NMHQGZGFNYZEID-UHFFFAOYSA-N 0 0 437.091 4.192 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)cc1 ZINC000218198977 557181744 /nfs/dbraw/zinc/18/17/44/557181744.db2.gz CBKIVDLOXIJUAY-UHFFFAOYSA-N 0 0 448.342 4.057 40 70 IIIBRN Cc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1C ZINC000218280320 557187162 /nfs/dbraw/zinc/18/71/62/557187162.db2.gz DOFGMDMDIXFCQS-UHFFFAOYSA-N 0 0 434.867 4.380 40 70 IIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000218347917 557194207 /nfs/dbraw/zinc/19/42/07/557194207.db2.gz FEYGJDKNSBGDCX-LJQANCHMSA-N 0 0 438.549 4.017 40 70 IIIBRN CC(C)Oc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000218351251 557194501 /nfs/dbraw/zinc/19/45/01/557194501.db2.gz ARWBGUPRIKWOJZ-UHFFFAOYSA-N 0 0 431.341 4.185 40 70 IIIBRN C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000218384480 557196903 /nfs/dbraw/zinc/19/69/03/557196903.db2.gz HDOAAKJLOWVNAZ-HNNXBMFYSA-N 0 0 436.961 4.455 40 70 IIIBRN Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000218503358 557203565 /nfs/dbraw/zinc/20/35/65/557203565.db2.gz FIXZEHDYWSZIND-UHFFFAOYSA-N 0 0 446.638 4.141 40 70 IIIBRN Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000218505806 557203930 /nfs/dbraw/zinc/20/39/30/557203930.db2.gz QBCWGULPVMPTJC-HXUWFJFHSA-N 0 0 442.581 4.202 40 70 IIIBRN Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000218514399 557204545 /nfs/dbraw/zinc/20/45/45/557204545.db2.gz BMQYWTQWIUNSMK-UHFFFAOYSA-N 0 0 428.598 4.266 40 70 IIIBRN COc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000218575693 557208185 /nfs/dbraw/zinc/20/81/85/557208185.db2.gz LSJBRJNFCJFPEW-UHFFFAOYSA-N 0 0 438.549 4.167 40 70 IIIBRN CCOc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000218573255 557208310 /nfs/dbraw/zinc/20/83/10/557208310.db2.gz RWDYCSBUVIESFB-UHFFFAOYSA-N 0 0 438.549 4.249 40 70 IIIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000218584628 557208638 /nfs/dbraw/zinc/20/86/38/557208638.db2.gz KRUYMIGIKLMXGS-GOSISDBHSA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000218592524 557209042 /nfs/dbraw/zinc/20/90/42/557209042.db2.gz QGNLXUFXGZFMJS-IBGZPJMESA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccc(F)cc1 ZINC000218630411 557211159 /nfs/dbraw/zinc/21/11/59/557211159.db2.gz OFZAGVUVBJYHQV-UHFFFAOYSA-N 0 0 432.561 4.061 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000217994626 557175169 /nfs/dbraw/zinc/17/51/69/557175169.db2.gz KVKYJFHVVKDADI-GFCCVEGCSA-N 0 0 433.917 4.204 40 70 IIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(C)cc3)n2)c(OC)c1 ZINC000218145450 557180184 /nfs/dbraw/zinc/18/01/84/557180184.db2.gz NHFZBERYBMMVBQ-OAHLLOKOSA-N 0 0 427.526 4.201 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000218479512 557202085 /nfs/dbraw/zinc/20/20/85/557202085.db2.gz DPURIQZBRVUGJF-QGZVFWFLSA-N 0 0 437.005 4.367 40 70 IIIBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000218511268 557204079 /nfs/dbraw/zinc/20/40/79/557204079.db2.gz ODHQFUJRFWFQPK-UHFFFAOYSA-N 0 0 448.544 4.263 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000218512945 557204134 /nfs/dbraw/zinc/20/41/34/557204134.db2.gz GQVVSGBJPQFHKB-FQEVSTJZSA-N 0 0 442.581 4.120 40 70 IIIBRN Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000218517460 557205203 /nfs/dbraw/zinc/20/52/03/557205203.db2.gz CILFKAHQFHGFNU-UHFFFAOYSA-N 0 0 444.597 4.277 40 70 IIIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000218602434 557209654 /nfs/dbraw/zinc/20/96/54/557209654.db2.gz XNWOMOQMYZTFKG-IBGZPJMESA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000218623605 557210431 /nfs/dbraw/zinc/21/04/31/557210431.db2.gz RPQRRTKLXNKBHT-OAQYLSRUSA-N 0 0 442.581 4.120 40 70 IIIBRN CCOC(=O)[C@@]1(S(=O)(=O)Cl)C=C(c2ccc(Cl)cc2)N(c2ccccc2)[C@H]1C ZINC000137928939 555573434 /nfs/dbraw/zinc/57/34/34/555573434.db2.gz OENFBZBSFINFNK-VBKZILBWSA-N 0 0 440.348 4.460 40 70 IIIBRN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217572327 557171488 /nfs/dbraw/zinc/17/14/88/557171488.db2.gz VTMIMYUXFMQXEU-CEWLAPEOSA-N 0 0 435.955 4.123 40 70 IIIBRN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NC[C@H]1C[C@H]3C=C[C@@H]1C3)COC2=O ZINC000217759371 557174036 /nfs/dbraw/zinc/17/40/36/557174036.db2.gz ODOWIDUJGXNPKY-ZJBNGSJKSA-N 0 0 439.552 4.280 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000217994712 557174995 /nfs/dbraw/zinc/17/49/95/557174995.db2.gz KVKYJFHVVKDADI-LBPRGKRZSA-N 0 0 433.917 4.204 40 70 IIIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Br)cc1 ZINC000218199488 557181885 /nfs/dbraw/zinc/18/18/85/557181885.db2.gz NYBYQQLMJNFMRR-UHFFFAOYSA-N 0 0 438.372 4.452 40 70 IIIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2 ZINC000218214214 557182534 /nfs/dbraw/zinc/18/25/34/557182534.db2.gz BSYHPCKFXFJGFZ-MRXNPFEDSA-N 0 0 437.277 4.332 40 70 IIIBRN CCOc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000218296077 557190403 /nfs/dbraw/zinc/19/04/03/557190403.db2.gz ZWMFJIYEDANDLV-GCJKJVERSA-N 0 0 432.586 4.124 40 70 IIIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000218321701 557192741 /nfs/dbraw/zinc/19/27/41/557192741.db2.gz XJYLTIPDVOFAEZ-UHFFFAOYSA-N 0 0 432.867 4.162 40 70 IIIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000218321569 557192867 /nfs/dbraw/zinc/19/28/67/557192867.db2.gz ORFZULCXRUMTIQ-UHFFFAOYSA-N 0 0 432.867 4.162 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000218369774 557195913 /nfs/dbraw/zinc/19/59/13/557195913.db2.gz IZFAJHDLVAEJFB-GHTZIAJQSA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000218369696 557195976 /nfs/dbraw/zinc/19/59/76/557195976.db2.gz IZFAJHDLVAEJFB-RXVVDRJESA-N 0 0 444.597 4.185 40 70 IIIBRN CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000218406449 557197108 /nfs/dbraw/zinc/19/71/08/557197108.db2.gz LUAFRBFWYSQAKB-UHFFFAOYSA-N 0 0 438.549 4.249 40 70 IIIBRN O=C(Nc1cccc2ccccc21)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000218436836 557199336 /nfs/dbraw/zinc/19/93/36/557199336.db2.gz GJJKMQULWYDEMC-XMMPIXPASA-N 0 0 444.512 4.435 40 70 IIIBRN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000218473751 557201717 /nfs/dbraw/zinc/20/17/17/557201717.db2.gz UUNRGFIWSXJZKY-QGZVFWFLSA-N 0 0 442.968 4.400 40 70 IIIBRN C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000218476246 557201770 /nfs/dbraw/zinc/20/17/70/557201770.db2.gz WDOWKMCTFOOTPS-OAHLLOKOSA-N 0 0 436.961 4.455 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218746209 557213893 /nfs/dbraw/zinc/21/38/93/557213893.db2.gz FKSRXWAERFADHJ-UHFFFAOYSA-N 0 0 434.577 4.244 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1 ZINC000216631481 557149814 /nfs/dbraw/zinc/14/98/14/557149814.db2.gz GDUQASWVGHWXSC-UHFFFAOYSA-N 0 0 427.526 4.012 40 70 IIIBRN C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000218074274 557176450 /nfs/dbraw/zinc/17/64/50/557176450.db2.gz FIVDVINMDHXAQP-ZDUSSCGKSA-N 0 0 432.343 4.437 40 70 IIIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Br)cc1 ZINC000218199183 557181730 /nfs/dbraw/zinc/18/17/30/557181730.db2.gz GSVPTUVQGHTOLK-UHFFFAOYSA-N 0 0 432.343 4.391 40 70 IIIBRN CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000218296166 557190253 /nfs/dbraw/zinc/19/02/53/557190253.db2.gz ZVYKKCOFJIADKV-AVRDEDQJSA-N 0 0 432.586 4.124 40 70 IIIBRN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218356833 557195122 /nfs/dbraw/zinc/19/51/22/557195122.db2.gz ZXZLZHONFBJDKA-GOSISDBHSA-N 0 0 436.533 4.019 40 70 IIIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000218378356 557196244 /nfs/dbraw/zinc/19/62/44/557196244.db2.gz QAZJKKMQVDLAOB-NQIIRXRSSA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1cc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c(C)c1 ZINC000218438191 557199705 /nfs/dbraw/zinc/19/97/05/557199705.db2.gz RLVVVGIUZIODTK-JOCHJYFZSA-N 0 0 436.533 4.207 40 70 IIIBRN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218448581 557200202 /nfs/dbraw/zinc/20/02/02/557200202.db2.gz ZSSWTGZQWPRLLD-SNVBAGLBSA-N 0 0 438.830 4.291 40 70 IIIBRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218448695 557200340 /nfs/dbraw/zinc/20/03/40/557200340.db2.gz PUDOAQQBHWFIDB-KRWDZBQOSA-N 0 0 442.512 4.198 40 70 IIIBRN COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218487652 557202744 /nfs/dbraw/zinc/20/27/44/557202744.db2.gz BDCCPKCPQKOFDT-GFCCVEGCSA-N 0 0 431.341 4.104 40 70 IIIBRN Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000218504693 557203512 /nfs/dbraw/zinc/20/35/12/557203512.db2.gz WYOSNBCYYZOTNE-UHFFFAOYSA-N 0 0 434.989 4.186 40 70 IIIBRN Cc1ccc(C(=O)NCCSC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000218515778 557204490 /nfs/dbraw/zinc/20/44/90/557204490.db2.gz NJGGOFOYAQONCP-UHFFFAOYSA-N 0 0 438.659 4.355 40 70 IIIBRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000218523359 557205464 /nfs/dbraw/zinc/20/54/64/557205464.db2.gz GCJZWNCQLYSPTI-UHFFFAOYSA-N 0 0 441.380 4.141 40 70 IIIBRN O=C(NCCSC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000218525609 557205811 /nfs/dbraw/zinc/20/58/11/557205811.db2.gz LWWGRXHHXZNEEP-UHFFFAOYSA-N 0 0 445.050 4.310 40 70 IIIBRN CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc2O1 ZINC000218634954 557211735 /nfs/dbraw/zinc/21/17/35/557211735.db2.gz DQGWESJOZMVFJG-IBGZPJMESA-N 0 0 448.972 4.157 40 70 IIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000218652622 557212509 /nfs/dbraw/zinc/21/25/09/557212509.db2.gz BWTQVWQULNRNDG-GOSISDBHSA-N 0 0 438.549 4.021 40 70 IIIBRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccc(F)cc1 ZINC000218651949 557212536 /nfs/dbraw/zinc/21/25/36/557212536.db2.gz JJBSQCCKXGHOOU-UHFFFAOYSA-N 0 0 426.513 4.017 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 ZINC000218717264 557213204 /nfs/dbraw/zinc/21/32/04/557213204.db2.gz HSPZGYVYBLHXNK-CQSZACIVSA-N 0 0 445.903 4.108 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1C ZINC000216629146 557149571 /nfs/dbraw/zinc/14/95/71/557149571.db2.gz ZTQXSKPBEHRYBH-UHFFFAOYSA-N 0 0 445.516 4.151 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 ZINC000216648775 557150476 /nfs/dbraw/zinc/15/04/76/557150476.db2.gz JIQOPIMYVRWWES-GOSISDBHSA-N 0 0 427.526 4.012 40 70 IIIBRN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000217764634 557173969 /nfs/dbraw/zinc/17/39/69/557173969.db2.gz AQYLREOJKPSKBX-ZHRMCQFGSA-N 0 0 435.886 4.250 40 70 IIIBRN COc1cc(CNC(=O)CSCc2ccc(Br)cc2)cc(OC)c1OC ZINC000218196552 557181419 /nfs/dbraw/zinc/18/14/19/557181419.db2.gz HKBUUVKYXZLJML-UHFFFAOYSA-N 0 0 440.359 4.025 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000218279963 557187255 /nfs/dbraw/zinc/18/72/55/557187255.db2.gz FZNFEGLYLAZLGH-UHFFFAOYSA-N 0 0 438.593 4.478 40 70 IIIBRN CCOc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000218296483 557190380 /nfs/dbraw/zinc/19/03/80/557190380.db2.gz LEHFAKQGASPKPF-LJQANCHMSA-N 0 0 446.613 4.112 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000218350926 557194456 /nfs/dbraw/zinc/19/44/56/557194456.db2.gz NFXGNQLRDJIJND-UHFFFAOYSA-N 0 0 440.968 4.118 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000218369574 557195936 /nfs/dbraw/zinc/19/59/36/557195936.db2.gz IZFAJHDLVAEJFB-NQIIRXRSSA-N 0 0 444.597 4.185 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1C ZINC000216642347 557150252 /nfs/dbraw/zinc/15/02/52/557150252.db2.gz SZGHLGUUHISXQH-KRWDZBQOSA-N 0 0 445.516 4.151 40 70 IIIBRN COc1ccccc1/C=C/C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000217969900 557175051 /nfs/dbraw/zinc/17/50/51/557175051.db2.gz MIILAIPSAYDBOC-ZHACJKMWSA-N 0 0 428.286 4.180 40 70 IIIBRN COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c(OC)c1 ZINC000218040430 557176000 /nfs/dbraw/zinc/17/60/00/557176000.db2.gz RXUDKGHZBYXKMC-UHFFFAOYSA-N 0 0 447.944 4.299 40 70 IIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)n2)c(OC)c1 ZINC000218145542 557180054 /nfs/dbraw/zinc/18/00/54/557180054.db2.gz NHFZBERYBMMVBQ-HNNXBMFYSA-N 0 0 427.526 4.201 40 70 IIIBRN COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(C)cc3)n2)c(OC)c1 ZINC000218152004 557180494 /nfs/dbraw/zinc/18/04/94/557180494.db2.gz HMNZUMOYAPAEEP-UHFFFAOYSA-N 0 0 427.526 4.203 40 70 IIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(I)cc1 ZINC000218214306 557182400 /nfs/dbraw/zinc/18/24/00/557182400.db2.gz KKDOWRQLTDDZRV-INIZCTEOSA-N 0 0 437.277 4.332 40 70 IIIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000218304285 557191295 /nfs/dbraw/zinc/19/12/95/557191295.db2.gz XCUMZXUODZNTKD-IBGZPJMESA-N 0 0 438.549 4.017 40 70 IIIBRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218356756 557195065 /nfs/dbraw/zinc/19/50/65/557195065.db2.gz ZXZLZHONFBJDKA-SFHVURJKSA-N 0 0 436.533 4.019 40 70 IIIBRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1C ZINC000218367820 557195650 /nfs/dbraw/zinc/19/56/50/557195650.db2.gz RAWCDOPFLBCBQF-SFHVURJKSA-N 0 0 430.570 4.418 40 70 IIIBRN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000218378431 557196215 /nfs/dbraw/zinc/19/62/15/557196215.db2.gz QAZJKKMQVDLAOB-WIYYLYMNSA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218518358 557205173 /nfs/dbraw/zinc/20/51/73/557205173.db2.gz YMJSOAAXPYCHKT-HXUWFJFHSA-N 0 0 444.597 4.065 40 70 IIIBRN Cc1ccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1C ZINC000218558180 557207287 /nfs/dbraw/zinc/20/72/87/557207287.db2.gz PRAYXDDROAZQDH-UHFFFAOYSA-N 0 0 437.005 4.252 40 70 IIIBRN COc1ccc(CCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000218592074 557208957 /nfs/dbraw/zinc/20/89/57/557208957.db2.gz RVSNEQRBCGBMOI-UHFFFAOYSA-N 0 0 438.549 4.167 40 70 IIIBRN COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000218718116 557213273 /nfs/dbraw/zinc/21/32/73/557213273.db2.gz YPBODWFRSWDCRX-HNNXBMFYSA-N 0 0 429.904 4.441 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000218090875 557176706 /nfs/dbraw/zinc/17/67/06/557176706.db2.gz YFBJHAYKQDGNQU-UHFFFAOYSA-N 0 0 433.917 4.206 40 70 IIIBRN Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)cc1 ZINC000218198862 557181784 /nfs/dbraw/zinc/18/17/84/557181784.db2.gz KWYLWLRAWNCNBB-UHFFFAOYSA-N 0 0 432.343 4.357 40 70 IIIBRN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000218315195 557192484 /nfs/dbraw/zinc/19/24/84/557192484.db2.gz JMCVBVPSPPVZON-UHFFFAOYSA-N 0 0 427.504 4.455 40 70 IIIBRN CN(c1ccccc1C(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000218347270 557193835 /nfs/dbraw/zinc/19/38/35/557193835.db2.gz GEOZMFMAPHGOSP-UHFFFAOYSA-N 0 0 426.513 4.013 40 70 IIIBRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218448786 557200317 /nfs/dbraw/zinc/20/03/17/557200317.db2.gz PUDOAQQBHWFIDB-QGZVFWFLSA-N 0 0 442.512 4.198 40 70 IIIBRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000218553317 557206970 /nfs/dbraw/zinc/20/69/70/557206970.db2.gz KPWGKOJGEQKPLD-HNNXBMFYSA-N 0 0 443.396 4.205 40 70 IIIBRN COc1cccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000218584072 557208763 /nfs/dbraw/zinc/20/87/63/557208763.db2.gz IUCLNYYNLPJBFT-UHFFFAOYSA-N 0 0 438.549 4.167 40 70 IIIBRN O=C(NCCCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000218634065 557211410 /nfs/dbraw/zinc/21/14/10/557211410.db2.gz FZJFGWKEMMFEAA-UHFFFAOYSA-N 0 0 441.380 4.141 40 70 IIIBRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 ZINC000218670484 557212895 /nfs/dbraw/zinc/21/28/95/557212895.db2.gz ALHMTGACRZGVCK-OAHLLOKOSA-N 0 0 439.512 4.135 40 70 IIIBRN COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c(OC)c1 ZINC000218033528 557176018 /nfs/dbraw/zinc/17/60/18/557176018.db2.gz QNJZXGBIGQKJBT-UHFFFAOYSA-N 0 0 447.944 4.299 40 70 IIIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000218369414 557195922 /nfs/dbraw/zinc/19/59/22/557195922.db2.gz GAUZXFWSFWCRAR-RXVVDRJESA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000218369248 557195981 /nfs/dbraw/zinc/19/59/81/557195981.db2.gz GAUZXFWSFWCRAR-NQIIRXRSSA-N 0 0 444.597 4.185 40 70 IIIBRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O ZINC000218481262 557202031 /nfs/dbraw/zinc/20/20/31/557202031.db2.gz BKSRBTBGGJSAKR-GFCCVEGCSA-N 0 0 431.341 4.104 40 70 IIIBRN C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218492731 557203235 /nfs/dbraw/zinc/20/32/35/557203235.db2.gz IGEQQXJAEDZRCS-ZDUSSCGKSA-N 0 0 447.359 4.036 40 70 IIIBRN C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218492793 557203281 /nfs/dbraw/zinc/20/32/81/557203281.db2.gz IGEQQXJAEDZRCS-CYBMUJFWSA-N 0 0 447.359 4.036 40 70 IIIBRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000218507524 557203875 /nfs/dbraw/zinc/20/38/75/557203875.db2.gz XQSGWXZYZIFXDS-UHFFFAOYSA-N 0 0 427.353 4.016 40 70 IIIBRN O=C(NCCCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000218523251 557205509 /nfs/dbraw/zinc/20/55/09/557205509.db2.gz IRKWCMIPSWVEMY-UHFFFAOYSA-N 0 0 441.380 4.141 40 70 IIIBRN O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000218526169 557205830 /nfs/dbraw/zinc/20/58/30/557205830.db2.gz FKNYIXKKUQQFSR-UHFFFAOYSA-N 0 0 438.952 4.016 40 70 IIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000218549536 557206724 /nfs/dbraw/zinc/20/67/24/557206724.db2.gz VXANYPGDWNCBKI-QUCCMNQESA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O ZINC000218553160 557206914 /nfs/dbraw/zinc/20/69/14/557206914.db2.gz NNRHPWPVFDYMTJ-HNNXBMFYSA-N 0 0 443.396 4.205 40 70 IIIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000218584544 557208771 /nfs/dbraw/zinc/20/87/71/557208771.db2.gz WDGQQBWQVQGSPU-SFHVURJKSA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccc(OCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1C ZINC000218724101 557213561 /nfs/dbraw/zinc/21/35/61/557213561.db2.gz BUHHOTQMMACOQX-UHFFFAOYSA-N 0 0 430.302 4.153 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1C ZINC000216642297 557150236 /nfs/dbraw/zinc/15/02/36/557150236.db2.gz SZGHLGUUHISXQH-QGZVFWFLSA-N 0 0 445.516 4.151 40 70 IIIBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000217833719 557174432 /nfs/dbraw/zinc/17/44/32/557174432.db2.gz AKIUIVOAISWBQN-UHFFFAOYSA-N 0 0 436.693 4.190 40 70 IIIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(OC)c1OC ZINC000218191026 557181540 /nfs/dbraw/zinc/18/15/40/557181540.db2.gz WXVYMDWUCMEFSO-ZRDIBKRKSA-N 0 0 443.887 4.088 40 70 IIIBRN CCOc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000218296438 557190341 /nfs/dbraw/zinc/19/03/41/557190341.db2.gz LEHFAKQGASPKPF-IBGZPJMESA-N 0 0 446.613 4.112 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000218387670 557197237 /nfs/dbraw/zinc/19/72/37/557197237.db2.gz KMJZNBAQQWSJGP-QGZVFWFLSA-N 0 0 437.005 4.367 40 70 IIIBRN COc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000218421935 557198621 /nfs/dbraw/zinc/19/86/21/557198621.db2.gz SEUKNGNBKKVZAZ-XMMPIXPASA-N 0 0 436.533 4.335 40 70 IIIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000218602524 557209628 /nfs/dbraw/zinc/20/96/28/557209628.db2.gz ALHDEEWVBXARAS-LJQANCHMSA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000218630917 557211126 /nfs/dbraw/zinc/21/11/26/557211126.db2.gz NWUSQLJYFKRCOS-FQEVSTJZSA-N 0 0 444.597 4.065 40 70 IIIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000217921999 557174726 /nfs/dbraw/zinc/17/47/26/557174726.db2.gz GVTXNVXBZDVJJT-DHZHZOJOSA-N 0 0 428.286 4.180 40 70 IIIBRN Cc1ccc(CSCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000218025746 557175842 /nfs/dbraw/zinc/17/58/42/557175842.db2.gz QIZHXIVKCZSJPD-UHFFFAOYSA-N 0 0 432.343 4.357 40 70 IIIBRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O ZINC000218481527 557202125 /nfs/dbraw/zinc/20/21/25/557202125.db2.gz CRFRUQHLGYBFSK-LBPRGKRZSA-N 0 0 431.341 4.104 40 70 IIIBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(F)cc3)c2)cc1 ZINC000218575388 557208335 /nfs/dbraw/zinc/20/83/35/557208335.db2.gz DCIPUHOUZUQPFL-UHFFFAOYSA-N 0 0 426.513 4.298 40 70 IIIBRN Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1NS(=O)(=O)c1ccccc1 ZINC000218592373 557208915 /nfs/dbraw/zinc/20/89/15/557208915.db2.gz NOIOIZJCZQZSMA-LJQANCHMSA-N 0 0 438.549 4.302 40 70 IIIBRN C[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000218748480 557214178 /nfs/dbraw/zinc/21/41/78/557214178.db2.gz OSTSWBUJNVWHOJ-CQSZACIVSA-N 0 0 429.369 4.417 40 70 IIIBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000216648418 557150565 /nfs/dbraw/zinc/15/05/65/557150565.db2.gz ADOIGTHURHLHGZ-MRXNPFEDSA-N 0 0 447.944 4.275 40 70 IIIBRN CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000218204804 557181856 /nfs/dbraw/zinc/18/18/56/557181856.db2.gz PBRUBKSSXXSQHN-GOSISDBHSA-N 0 0 429.966 4.383 40 70 IIIBRN CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000218204886 557181882 /nfs/dbraw/zinc/18/18/82/557181882.db2.gz PBRUBKSSXXSQHN-SFHVURJKSA-N 0 0 429.966 4.383 40 70 IIIBRN Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000218270482 557186656 /nfs/dbraw/zinc/18/66/56/557186656.db2.gz DKTAGCHCIOVKKK-UHFFFAOYSA-N 0 0 437.005 4.287 40 70 IIIBRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000218381248 557196560 /nfs/dbraw/zinc/19/65/60/557196560.db2.gz GKGFEZAJMTZDHF-FQEVSTJZSA-N 0 0 430.614 4.330 40 70 IIIBRN CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000218479596 557202081 /nfs/dbraw/zinc/20/20/81/557202081.db2.gz DPURIQZBRVUGJF-KRWDZBQOSA-N 0 0 437.005 4.367 40 70 IIIBRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000218549449 557206754 /nfs/dbraw/zinc/20/67/54/557206754.db2.gz QLHBUZWQBQKVLR-AZUAARDMSA-N 0 0 444.597 4.185 40 70 IIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000218584472 557208740 /nfs/dbraw/zinc/20/87/40/557208740.db2.gz WDGQQBWQVQGSPU-GOSISDBHSA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000218603315 557209668 /nfs/dbraw/zinc/20/96/68/557209668.db2.gz ABLSTALSIGWZRF-UHFFFAOYSA-N 0 0 437.565 4.052 40 70 IIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000218630839 557211077 /nfs/dbraw/zinc/21/10/77/557211077.db2.gz NWUSQLJYFKRCOS-HXUWFJFHSA-N 0 0 444.597 4.065 40 70 IIIBRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCc1ccccc1Cl ZINC000218631953 557211439 /nfs/dbraw/zinc/21/14/39/557211439.db2.gz YMAYJCWCNXTMTC-UHFFFAOYSA-N 0 0 449.016 4.432 40 70 IIIBRN Cc1ccc(C)c(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 ZINC000218747457 557213849 /nfs/dbraw/zinc/21/38/49/557213849.db2.gz UDTFYEWUJUCXMS-FQEVSTJZSA-N 0 0 444.597 4.268 40 70 IIIBRN C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000218074193 557176478 /nfs/dbraw/zinc/17/64/78/557176478.db2.gz FIVDVINMDHXAQP-CYBMUJFWSA-N 0 0 432.343 4.437 40 70 IIIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1OC ZINC000218191105 557181480 /nfs/dbraw/zinc/18/14/80/557181480.db2.gz YRSYUNJIWUYMFR-XYOKQWHBSA-N 0 0 443.887 4.088 40 70 IIIBRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000218295218 557189904 /nfs/dbraw/zinc/18/99/04/557189904.db2.gz HXLMLWHFWSYRDU-KRWDZBQOSA-N 0 0 446.569 4.200 40 70 IIIBRN Cc1ccc(CN(c2ccc(C(=O)NCCSC(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000218314842 557192336 /nfs/dbraw/zinc/19/23/36/557192336.db2.gz HVGAUTYEIDPOOH-UHFFFAOYSA-N 0 0 434.627 4.223 40 70 IIIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000218347988 557194179 /nfs/dbraw/zinc/19/41/79/557194179.db2.gz FEYGJDKNSBGDCX-IBGZPJMESA-N 0 0 438.549 4.017 40 70 IIIBRN COc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000218421855 557198403 /nfs/dbraw/zinc/19/84/03/557198403.db2.gz SEUKNGNBKKVZAZ-DEOSSOPVSA-N 0 0 436.533 4.335 40 70 IIIBRN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218448499 557200332 /nfs/dbraw/zinc/20/03/32/557200332.db2.gz ZSSWTGZQWPRLLD-JTQLQIEISA-N 0 0 438.830 4.291 40 70 IIIBRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218491991 557203296 /nfs/dbraw/zinc/20/32/96/557203296.db2.gz UAPKKGHRDYVCDJ-CABCVRRESA-N 0 0 443.396 4.285 40 70 IIIBRN Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000218514942 557204379 /nfs/dbraw/zinc/20/43/79/557204379.db2.gz FKJHVVPBMKSOQG-UHFFFAOYSA-N 0 0 446.638 4.390 40 70 IIIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000218549377 557206730 /nfs/dbraw/zinc/20/67/30/557206730.db2.gz QLHBUZWQBQKVLR-ICSRJNTNSA-N 0 0 444.597 4.185 40 70 IIIBRN COc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000218584168 557208692 /nfs/dbraw/zinc/20/86/92/557208692.db2.gz RJXBFQLSKMWKLO-UHFFFAOYSA-N 0 0 438.549 4.167 40 70 IIIBRN Cc1ccc(OC[C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000218652810 557212627 /nfs/dbraw/zinc/21/26/27/557212627.db2.gz LZBPXOJXJYYCLA-GOSISDBHSA-N 0 0 438.549 4.021 40 70 IIIBRN COc1ccc(C)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 ZINC000218224770 557183112 /nfs/dbraw/zinc/18/31/12/557183112.db2.gz IHGDRZGRXOMMLW-UHFFFAOYSA-N 0 0 444.597 4.428 40 70 IIIBRN CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000218483638 557202306 /nfs/dbraw/zinc/20/23/06/557202306.db2.gz CLUOZAINRJQPAG-AWEZNQCLSA-N 0 0 438.977 4.267 40 70 IIIBRN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218491822 557203239 /nfs/dbraw/zinc/20/32/39/557203239.db2.gz UAPKKGHRDYVCDJ-HUUCEWRRSA-N 0 0 443.396 4.285 40 70 IIIBRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl ZINC000218515539 557204417 /nfs/dbraw/zinc/20/44/17/557204417.db2.gz RBIOFJFZXPOMPG-UHFFFAOYSA-N 0 0 436.961 4.474 40 70 IIIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000218518508 557205274 /nfs/dbraw/zinc/20/52/74/557205274.db2.gz MHUYKDRQWORADD-HXUWFJFHSA-N 0 0 444.597 4.065 40 70 IIIBRN Cc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C ZINC000218559437 557207490 /nfs/dbraw/zinc/20/74/90/557207490.db2.gz DCLANNPAICNWIX-NRFANRHFSA-N 0 0 444.597 4.268 40 70 IIIBRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccc(F)cc1 ZINC000218583908 557208526 /nfs/dbraw/zinc/20/85/26/557208526.db2.gz OQCWAYUMRYRGQL-UHFFFAOYSA-N 0 0 426.513 4.298 40 70 IIIBRN Cc1ccc(C)c(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000218746637 557213844 /nfs/dbraw/zinc/21/38/44/557213844.db2.gz DWVQVBZTPIDMCI-UHFFFAOYSA-N 0 0 437.005 4.252 40 70 IIIBRN CCOC(=O)[C@]1(S(=O)(=O)Cl)C=C(c2ccc(Cl)cc2)N(c2ccccc2)[C@@H]1C ZINC000137928669 556699380 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Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000218575933 557208195 /nfs/dbraw/zinc/20/81/95/557208195.db2.gz HGCDUKJPRHVGHY-LJQANCHMSA-N 0 0 438.549 4.302 40 70 IIIBRN Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000218593230 557209265 /nfs/dbraw/zinc/20/92/65/557209265.db2.gz ADVMHQIHIGQRRG-UHFFFAOYSA-N 0 0 437.565 4.052 40 70 IIIBRN COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000218601936 557209559 /nfs/dbraw/zinc/20/95/59/557209559.db2.gz CVWMAFYQVFUNTH-UHFFFAOYSA-N 0 0 438.549 4.167 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 ZINC000216648824 557150508 /nfs/dbraw/zinc/15/05/08/557150508.db2.gz JIQOPIMYVRWWES-SFHVURJKSA-N 0 0 427.526 4.012 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1C ZINC000216648889 557150578 /nfs/dbraw/zinc/15/05/78/557150578.db2.gz ZHFUTCGEGGRLRX-LJQANCHMSA-N 0 0 441.553 4.320 40 70 IIIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1C ZINC000216648935 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