smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000000658258 551514329 /nfs/dbraw/zinc/51/43/29/551514329.db2.gz DMEOCRWSVRSBBJ-ZVHZXABRSA-N 0 0 541.025 4.593 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000000659732 551515413 /nfs/dbraw/zinc/51/54/13/551515413.db2.gz UDZVUEGJXVMIDR-UHFFFAOYSA-N 0 0 534.465 4.546 50 10 KJCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000660006 551515677 /nfs/dbraw/zinc/51/56/77/551515677.db2.gz YSMVWGVARWTJEF-UHFFFAOYSA-N 0 0 532.691 4.885 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000663024 551516552 /nfs/dbraw/zinc/51/65/52/551516552.db2.gz VDTDCNPFABPXQH-PCCBWWKXSA-N 0 0 554.755 4.937 50 10 KJCARN COc1ccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cccc(OC)c2O)cc1 ZINC000000668167 551518232 /nfs/dbraw/zinc/51/82/32/551518232.db2.gz RRNPIVVZJQTFNG-NRFANRHFSA-N 0 0 502.308 4.785 50 10 KJCARN COc1ccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cccc(OC)c2O)cc1 ZINC000000668168 551518216 /nfs/dbraw/zinc/51/82/16/551518216.db2.gz RRNPIVVZJQTFNG-OAQYLSRUSA-N 0 0 502.308 4.785 50 10 KJCARN COc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cc(OC)ccc2O)c1 ZINC000000668322 551518103 /nfs/dbraw/zinc/51/81/03/551518103.db2.gz GRYKWJMNFZPIDJ-NRFANRHFSA-N 0 0 502.308 4.785 50 10 KJCARN COc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(OC)ccc2O)c1 ZINC000000668323 551518212 /nfs/dbraw/zinc/51/82/12/551518212.db2.gz GRYKWJMNFZPIDJ-OAQYLSRUSA-N 0 0 502.308 4.785 50 10 KJCARN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000000671154 551519287 /nfs/dbraw/zinc/51/92/87/551519287.db2.gz JKZXJMIGHITRLL-UHFFFAOYSA-N 0 0 530.227 4.648 50 10 KJCARN COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N(C)C2=S)cc1 ZINC000000680426 551524116 /nfs/dbraw/zinc/52/41/16/551524116.db2.gz PXTDEQQVTBAMPF-BUVRLJJBSA-N 0 0 501.608 4.671 50 10 KJCARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1I ZINC000000691742 551527260 /nfs/dbraw/zinc/52/72/60/551527260.db2.gz BDXKHZAAPWIKCD-UHFFFAOYSA-N 0 0 504.309 4.727 50 10 KJCARN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000000707625 551531823 /nfs/dbraw/zinc/53/18/23/551531823.db2.gz ITGRTTNFCUCIPN-UHFFFAOYSA-N 0 0 514.170 4.684 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(I)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000725949 551538056 /nfs/dbraw/zinc/53/80/56/551538056.db2.gz GEJXYVDYHQRDAH-FDFHNCONSA-N 0 0 597.792 4.635 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000725954 551538033 /nfs/dbraw/zinc/53/80/33/551538033.db2.gz WRKVOYLBJLJCQZ-FDFHNCONSA-N 0 0 550.792 4.793 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000826618 551544793 /nfs/dbraw/zinc/54/47/93/551544793.db2.gz QLYVJQOGLHGYQB-PCCBWWKXSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000851545 551549840 /nfs/dbraw/zinc/54/98/40/551549840.db2.gz VGBHKWPTSIHOCH-PCCBWWKXSA-N 0 0 536.765 4.798 50 10 KJCARN O=S(=O)(Nc1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1Br)c1ccccc1 ZINC000000874305 551554303 /nfs/dbraw/zinc/55/43/03/551554303.db2.gz FVCGMLWLQBUSMS-UHFFFAOYSA-N 0 0 546.262 4.813 50 10 KJCARN COc1ccc(/C=C2\SC(=O)N(CCN3C(=O)S/C(=C/c4ccc(N(C)C)cc4)C3=O)C2=O)c(OC)c1 ZINC000000976732 551591008 /nfs/dbraw/zinc/59/10/08/551591008.db2.gz QPCPLKJVMVVLSC-MGAWAESESA-N 0 0 539.635 4.543 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000984988 551592508 /nfs/dbraw/zinc/59/25/08/551592508.db2.gz YMISMCWMCYCCEI-PCCBWWKXSA-N 0 0 536.765 4.798 50 10 KJCARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 ZINC000001006022 551596194 /nfs/dbraw/zinc/59/61/94/551596194.db2.gz AFSFAAKMWBUPTC-WYMPLXKRSA-N 0 0 519.579 4.897 50 10 KJCARN COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 ZINC000001008230 551596463 /nfs/dbraw/zinc/59/64/63/551596463.db2.gz AYHVSSZPZHBECD-UCQKPKSFSA-N 0 0 503.580 4.864 50 10 KJCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 ZINC000001008259 551596514 /nfs/dbraw/zinc/59/65/14/551596514.db2.gz KGIVXVZADQDNHN-UCQKPKSFSA-N 0 0 503.580 4.864 50 10 KJCARN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C ZINC000001008294 551596454 /nfs/dbraw/zinc/59/64/54/551596454.db2.gz DZGIYWNZDZUDAV-UCQKPKSFSA-N 0 0 503.580 4.864 50 10 KJCARN CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)ccc1Cl ZINC000001088501 551607071 /nfs/dbraw/zinc/60/70/71/551607071.db2.gz PVHLJOXXRIXYIE-PDGQHHTCSA-N 0 0 567.929 4.773 50 10 KJCARN Cc1c(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001093039 551607203 /nfs/dbraw/zinc/60/72/03/551607203.db2.gz PZODJLMDUBFSMQ-DFQGPDHMSA-N 0 0 513.000 4.921 50 10 KJCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1C[C@H]1CCCO1 ZINC000001099072 551608222 /nfs/dbraw/zinc/60/82/22/551608222.db2.gz DBURMMRZGFHUQA-SPMKTWQFSA-N 0 0 505.621 4.691 50 10 KJCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1C[C@@H]1CCCO1 ZINC000001099073 551608197 /nfs/dbraw/zinc/60/81/97/551608197.db2.gz DBURMMRZGFHUQA-FVHJOOJJSA-N 0 0 505.621 4.691 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000001099137 551608264 /nfs/dbraw/zinc/60/82/64/551608264.db2.gz BEGNFHZMORWGBL-DEDYPNTBSA-N 0 0 556.463 4.978 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 ZINC000001103705 551609160 /nfs/dbraw/zinc/60/91/60/551609160.db2.gz NVDODKFVVMUOFE-OWXNJLJFSA-N 0 0 506.653 4.556 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 ZINC000001103799 551609458 /nfs/dbraw/zinc/60/94/58/551609458.db2.gz NBLHKKQCHWZDEW-OWXNJLJFSA-N 0 0 506.653 4.556 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCc4ccccc4C3)SC2=S)cc1OC ZINC000001103839 551609520 /nfs/dbraw/zinc/60/95/20/551609520.db2.gz PNNQCZORTLMSHR-ITYLOYPMSA-N 0 0 584.723 4.718 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000001104954 551609454 /nfs/dbraw/zinc/60/94/54/551609454.db2.gz YUOFNMQTZJCFHP-MQXJPVLKSA-N 0 0 546.649 4.689 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Br)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000001187704 551621465 /nfs/dbraw/zinc/62/14/65/551621465.db2.gz IVKRVKLMMFBHEO-PCCBWWKXSA-N 0 0 536.765 4.798 50 10 KJCARN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)c(OC)c2)SC1=S ZINC000001206502 551624386 /nfs/dbraw/zinc/62/43/86/551624386.db2.gz CGLVGJUXEMJESY-BOPFTXTBSA-N 0 0 525.389 4.740 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1Cl ZINC000001210641 551625308 /nfs/dbraw/zinc/62/53/08/551625308.db2.gz RNYCYGCYJDHHMW-BKUYFWCQSA-N 0 0 512.012 4.869 50 10 KJCARN Nc1ccc(Oc2ccc(-n3c(=O)c4cc5c(cc4c3=O)c(=O)n(-c3ccc(Oc4ccc(N)cc4)cc3)c5=O)cc2)cc1 ZINC000001226807 551629018 /nfs/dbraw/zinc/62/90/18/551629018.db2.gz LRNUMXRKPATMCX-UHFFFAOYSA-N 0 0 582.572 4.640 50 10 KJCARN COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001239103 551630335 /nfs/dbraw/zinc/63/03/35/551630335.db2.gz WJXCFRCHLNVYDA-FHNWIRHTSA-N 0 0 522.442 4.799 50 10 KJCARN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001239105 551630302 /nfs/dbraw/zinc/63/03/02/551630302.db2.gz WJXCFRCHLNVYDA-NCUBORBFSA-N 0 0 522.442 4.799 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000001239118 551630319 /nfs/dbraw/zinc/63/03/19/551630319.db2.gz FSKKRVNWZFDYFL-MFOYZWKCSA-N 0 0 527.849 4.942 50 10 KJCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000001240405 551630671 /nfs/dbraw/zinc/63/06/71/551630671.db2.gz CXNKRJPFSZMPCT-MRCUWXFGSA-N 0 0 509.996 4.690 50 10 KJCARN Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000001240987 551630650 /nfs/dbraw/zinc/63/06/50/551630650.db2.gz XVCDPVFMQVYUEL-STZFKDTASA-N 0 0 502.621 4.652 50 10 KJCARN Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001247365 551631943 /nfs/dbraw/zinc/63/19/43/551631943.db2.gz TXUGTSLIXSTQDW-HKWRFOASSA-N 0 0 527.071 4.758 50 10 KJCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001247891 551631996 /nfs/dbraw/zinc/63/19/96/551631996.db2.gz NFAKETGUVHAQGL-QGZVFWFLSA-N 0 0 507.583 4.908 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCc4ccccc4C3)SC2=S)cc1 ZINC000001249597 551632183 /nfs/dbraw/zinc/63/21/83/551632183.db2.gz OIUDVZXVYMCMAT-BWAHOGKJSA-N 0 0 554.697 4.710 50 10 KJCARN CCCN1C(=O)/C(=C2/c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000001251601 551632620 /nfs/dbraw/zinc/63/26/20/551632620.db2.gz WRKHEFGMDMKAKK-VHEBQXMUSA-N 0 0 505.543 4.672 50 10 KJCARN COc1cc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000001270330 551634655 /nfs/dbraw/zinc/63/46/55/551634655.db2.gz FDWXBXCYVDUYBC-KCHLEUMXSA-N 0 0 567.594 4.660 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(I)c2)OC32C(=O)c3ccccc3C2=O)c(C)c1 ZINC000001276558 551635867 /nfs/dbraw/zinc/63/58/67/551635867.db2.gz AOGZLNKAPQFABO-VABKMULXSA-N 0 0 577.374 4.603 50 10 KJCARN CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000001293797 551637291 /nfs/dbraw/zinc/63/72/91/551637291.db2.gz VEYXOKWBRZFTAF-JWGURIENSA-N 0 0 504.681 4.683 50 10 KJCARN CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000001296559 551637674 /nfs/dbraw/zinc/63/76/74/551637674.db2.gz LFRUZJVFQYKUEV-XLNRJJMWSA-N 0 0 504.681 4.683 50 10 KJCARN Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 ZINC000001299661 551637911 /nfs/dbraw/zinc/63/79/11/551637911.db2.gz OYUWLCTVDVNVFX-JWGURIENSA-N 0 0 504.681 4.683 50 10 KJCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000001306762 551638998 /nfs/dbraw/zinc/63/89/98/551638998.db2.gz GSLPCPZUUHIATM-MRCUWXFGSA-N 0 0 509.996 4.690 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCc3ccco3)nc12 ZINC000001307159 551639373 /nfs/dbraw/zinc/63/93/73/551639373.db2.gz VLUWSQRYENVRLX-QNGOZBTKSA-N 0 0 502.621 4.652 50 10 KJCARN CC(NCCN1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000001408364 551663462 /nfs/dbraw/zinc/66/34/62/551663462.db2.gz GNZOGWUVOUNZGV-HAVVHWLPSA-N 0 0 528.103 4.640 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000001410417 551664429 /nfs/dbraw/zinc/66/44/29/551664429.db2.gz ABDZMAPUDOSWME-UCQKPKSFSA-N 0 0 507.637 4.977 50 10 KJCARN COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000001411428 551664679 /nfs/dbraw/zinc/66/46/79/551664679.db2.gz NEKYSTAAIJAJIO-NDENLUEZSA-N 0 0 565.957 4.924 50 10 KJCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC ZINC000001416653 551666670 /nfs/dbraw/zinc/66/66/70/551666670.db2.gz XUOUQSSJBHBQBL-SFQUDFHCSA-N 0 0 507.431 4.793 50 10 KJCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S ZINC000001446707 551674216 /nfs/dbraw/zinc/67/42/16/551674216.db2.gz ZMEOQWYDWNDCNH-HMAPJEAMSA-N 0 0 526.709 4.647 50 10 KJCARN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000001450912 551675570 /nfs/dbraw/zinc/67/55/70/551675570.db2.gz VRBNMTMGBZTCJY-JCMHNJIXSA-N 0 0 504.589 4.769 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N(C)Cc3ccccc3)nc12 ZINC000001464590 551680001 /nfs/dbraw/zinc/68/00/01/551680001.db2.gz DSVATZUQXOPCMH-STZFKDTASA-N 0 0 502.621 4.634 50 10 KJCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000001467379 1066516758 /nfs/dbraw/zinc/51/67/58/1066516758.db2.gz SVGPLFPEAINDGO-KURUZVKSSA-N 0 0 539.704 4.715 50 10 KJCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000001467440 1066517195 /nfs/dbraw/zinc/51/71/95/1066517195.db2.gz LEPVYROVSQZHJH-SGCYSOCQSA-N 0 0 553.731 4.962 50 10 KJCARN CC(C)CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)SC1=S ZINC000001476909 551680967 /nfs/dbraw/zinc/68/09/67/551680967.db2.gz JEVVMKPDECXOMA-QNGOZBTKSA-N 0 0 540.114 4.532 50 10 KJCARN COc1ccc(/C=C2\SC(=S)N(CCN3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 ZINC000001744774 551691826 /nfs/dbraw/zinc/69/18/26/551691826.db2.gz AXXXGXKVKCYFHK-AXPXABNXSA-N 0 0 528.702 4.806 50 10 KJCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC ZINC000001746908 551692180 /nfs/dbraw/zinc/69/21/80/551692180.db2.gz WQZCDWLSGPZMDB-MTJSOVHGSA-N 0 0 525.677 4.899 50 10 KJCARN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)sc2c1CCCC2 ZINC000001746933 551692162 /nfs/dbraw/zinc/69/21/62/551692162.db2.gz CQWRVIJZZZEFAM-UNOMPAQXSA-N 0 0 546.692 4.661 50 10 KJCARN 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COC(=O)c1c2c(sc1NC(=O)CCC(=O)Nc1sc3c(c1C(=O)OC)CC[C@H](C)C3)C[C@H](C)CC2 ZINC000002085666 551755511 /nfs/dbraw/zinc/75/55/11/551755511.db2.gz GFHYAPKOCBZFEU-OKILXGFUSA-N 0 0 532.684 4.990 50 10 KJCARN COC(=O)c1c2c(sc1NC(=O)CCC(=O)Nc1sc3c(c1C(=O)OC)CC[C@@H](C)C3)C[C@H](C)CC2 ZINC000002085668 551755609 /nfs/dbraw/zinc/75/56/09/551755609.db2.gz GFHYAPKOCBZFEU-ZIAGYGMSSA-N 0 0 532.684 4.990 50 10 KJCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000002099484 551762083 /nfs/dbraw/zinc/76/20/83/551762083.db2.gz KDSAZIRPLGEFTR-PZJWPPBQSA-N 0 0 536.632 4.704 50 10 biogenic KJCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000002116371 551769373 /nfs/dbraw/zinc/76/93/73/551769373.db2.gz KJBXMRXJWSRHOQ-MTJSOVHGSA-N 0 0 515.326 4.931 50 10 KJCARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002133752 551773260 /nfs/dbraw/zinc/77/32/60/551773260.db2.gz NJYJRHNVNINPMH-RUZDIDTESA-N 0 0 513.930 4.895 50 10 biogenic KJCARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002133754 551773279 /nfs/dbraw/zinc/77/32/79/551773279.db2.gz NJYJRHNVNINPMH-VWLOTQADSA-N 0 0 513.930 4.895 50 10 biogenic KJCARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002142493 551774959 /nfs/dbraw/zinc/77/49/59/551774959.db2.gz NPOGEGFJCUTCEB-UHFFFAOYSA-N 0 0 535.485 4.632 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000002144937 551775717 /nfs/dbraw/zinc/77/57/17/551775717.db2.gz AEEUZKOFSSOWGE-YVVITCHPSA-N 0 0 594.556 4.826 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000002144944 551775737 /nfs/dbraw/zinc/77/57/37/551775737.db2.gz AEEUZKOFSSOWGE-GJISQHIDSA-N 0 0 594.556 4.826 50 10 KJCARN CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 ZINC000002165588 551781836 /nfs/dbraw/zinc/78/18/36/551781836.db2.gz YWUXNHFBUBJZLE-BOPFTXTBSA-N 0 0 524.405 4.739 50 10 KJCARN CCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1 ZINC000002168755 551781935 /nfs/dbraw/zinc/78/19/35/551781935.db2.gz DQKBJAFMPWPGRK-ZHZULCJRSA-N 0 0 547.511 4.509 50 10 KJCARN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000002173946 551782646 /nfs/dbraw/zinc/78/26/46/551782646.db2.gz LUKBGHJLQQTIOG-LMSRTUJASA-N 0 0 554.112 4.695 50 10 KJCARN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000002173948 551782654 /nfs/dbraw/zinc/78/26/54/551782654.db2.gz LUKBGHJLQQTIOG-RISWYLRJSA-N 0 0 554.112 4.695 50 10 KJCARN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 ZINC000002174794 551783111 /nfs/dbraw/zinc/78/31/11/551783111.db2.gz MZMHIUXJAZRUAV-XKZIYDEJSA-N 0 0 554.386 4.719 50 10 KJCARN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000002178428 551784569 /nfs/dbraw/zinc/78/45/69/551784569.db2.gz MBYUIMFBFNIOIJ-BWAHOGKJSA-N 0 0 558.631 4.813 50 10 KJCARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=S)N(Cc4ccco4)C3=O)c1C)CCCC2 ZINC000002178555 551784516 /nfs/dbraw/zinc/78/45/16/551784516.db2.gz ZLVMLYPLHSNPKH-DEDYPNTBSA-N 0 0 537.663 4.631 50 10 KJCARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000002185244 551786237 /nfs/dbraw/zinc/78/62/37/551786237.db2.gz VKXATEHDWXRLFD-UQDCTOEPSA-N 0 0 559.663 4.742 50 10 KJCARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000002185245 551786227 /nfs/dbraw/zinc/78/62/27/551786227.db2.gz VKXATEHDWXRLFD-PRLWALMFSA-N 0 0 559.663 4.742 50 10 KJCARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000002185246 551786212 /nfs/dbraw/zinc/78/62/12/551786212.db2.gz VKXATEHDWXRLFD-LCQSEVKBSA-N 0 0 559.663 4.742 50 10 KJCARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000002185247 551786202 /nfs/dbraw/zinc/78/62/02/551786202.db2.gz VKXATEHDWXRLFD-FUFNRSNVSA-N 0 0 559.663 4.742 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002188887 551788760 /nfs/dbraw/zinc/78/87/60/551788760.db2.gz XDTSTILBSCRLIA-RISWYLRJSA-N 0 0 593.061 4.686 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002188889 551788749 /nfs/dbraw/zinc/78/87/49/551788749.db2.gz XDTSTILBSCRLIA-LMSRTUJASA-N 0 0 593.061 4.686 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC ZINC000002193039 551791288 /nfs/dbraw/zinc/79/12/88/551791288.db2.gz WDFPVYWGRPRRLF-ASZNLBCTSA-N 0 0 559.663 4.744 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000002193041 551791310 /nfs/dbraw/zinc/79/13/10/551791310.db2.gz WDFPVYWGRPRRLF-YNMQQHPQSA-N 0 0 559.663 4.744 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC(=S)N1C1CCCCC1 ZINC000002195708 551791953 /nfs/dbraw/zinc/79/19/53/551791953.db2.gz FDDSIGWBTFDFNL-JWGURIENSA-N 0 0 502.665 4.791 50 10 KJCARN CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S ZINC000002204797 551793191 /nfs/dbraw/zinc/79/31/91/551793191.db2.gz NHNIFLODBUWXMR-WJDWOHSUSA-N 0 0 502.415 4.859 50 10 KJCARN CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC1=S ZINC000002205800 551793237 /nfs/dbraw/zinc/79/32/37/551793237.db2.gz LDEHRXMFPDKDDL-VBKFSLOCSA-N 0 0 502.415 4.861 50 10 KJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000002207288 551793574 /nfs/dbraw/zinc/79/35/74/551793574.db2.gz AWPSCIWHXVHFHB-IQPQYADRSA-N 0 0 528.659 4.802 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000002209975 551793965 /nfs/dbraw/zinc/79/39/65/551793965.db2.gz LTYALSLLBKTIJI-DSNGMDLFSA-N 0 0 523.545 4.859 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000002209978 551793995 /nfs/dbraw/zinc/79/39/95/551793995.db2.gz LTYALSLLBKTIJI-DSITVLBTSA-N 0 0 523.545 4.859 50 10 KJCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 ZINC000002214914 551794891 /nfs/dbraw/zinc/79/48/91/551794891.db2.gz VIDACBZRFJQQPE-BWAHOGKJSA-N 0 0 529.666 4.886 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000002224815 551796668 /nfs/dbraw/zinc/79/66/68/551796668.db2.gz IKVJYZCLCGIDKT-DSNGMDLFSA-N 0 0 523.545 4.859 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000002224818 551796695 /nfs/dbraw/zinc/79/66/95/551796695.db2.gz IKVJYZCLCGIDKT-DSITVLBTSA-N 0 0 523.545 4.859 50 10 KJCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002229558 551797316 /nfs/dbraw/zinc/79/73/16/551797316.db2.gz UXNRIUFWQPRKNT-JJIBRWJFSA-N 0 0 540.066 4.900 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000002238388 551798570 /nfs/dbraw/zinc/79/85/70/551798570.db2.gz ODAYWURFQFWUNJ-JCMHNJIXSA-N 0 0 504.681 4.957 50 10 KJCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002239516 551799008 /nfs/dbraw/zinc/79/90/08/551799008.db2.gz ARUQEBLALNRZEH-HKOYGPOVSA-N 0 0 540.066 4.900 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000002249133 551800845 /nfs/dbraw/zinc/80/08/45/551800845.db2.gz RCTSYJINFIIIFH-STZFKDTASA-N 0 0 508.669 4.523 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000002257740 551803184 /nfs/dbraw/zinc/80/31/84/551803184.db2.gz ULUNLWDWYVGFOI-BKUYFWCQSA-N 0 0 508.669 4.523 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000002260212 552083678 /nfs/dbraw/zinc/08/36/78/552083678.db2.gz NOMXMCMMWIFTBQ-IQDKPADRSA-N 0 0 528.659 4.550 50 10 KJCARN Cc1c(NC=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000002262353 552084979 /nfs/dbraw/zinc/08/49/79/552084979.db2.gz XZKQOHVSPZHVEZ-UHFFFAOYSA-N 0 0 537.645 4.762 50 10 KJCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002264309 551804354 /nfs/dbraw/zinc/80/43/54/551804354.db2.gz DFDZZKRAGVRNKY-JJIBRWJFSA-N 0 0 540.066 4.900 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccco1 ZINC000002277357 551805665 /nfs/dbraw/zinc/80/56/65/551805665.db2.gz XECQAFZBQKAIBM-JCMHNJIXSA-N 0 0 547.614 4.711 50 10 KJCARN CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000002283748 551806462 /nfs/dbraw/zinc/80/64/62/551806462.db2.gz BPRIWDYTEFIURX-PTGBLXJZSA-N 0 0 512.660 4.775 50 10 KJCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000002303331 551808438 /nfs/dbraw/zinc/80/84/38/551808438.db2.gz YWTQXKAJPXAGCV-KURUZVKSSA-N 0 0 539.704 4.635 50 10 KJCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000002307073 551808830 /nfs/dbraw/zinc/80/88/30/551808830.db2.gz LIYTVFAOBHTWGS-CPOKCXMASA-N 0 0 539.704 4.716 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002309996 551808942 /nfs/dbraw/zinc/80/89/42/551808942.db2.gz FGIOMUODEIQLOJ-CMISJSSVSA-N 0 0 511.647 4.514 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002309998 551809000 /nfs/dbraw/zinc/80/90/00/551809000.db2.gz FGIOMUODEIQLOJ-DBXPASCUSA-N 0 0 511.647 4.514 50 10 KJCARN CC(C)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000002318781 552093331 /nfs/dbraw/zinc/09/33/31/552093331.db2.gz SBOMYPWDYNHPEE-HNENSFHCSA-N 0 0 505.543 4.671 50 10 KJCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)c1 ZINC000002319037 552093540 /nfs/dbraw/zinc/09/35/40/552093540.db2.gz DPLVDEWFRIFGNN-PLRJNAJWSA-N 0 0 519.648 4.555 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000002320339 552093832 /nfs/dbraw/zinc/09/38/32/552093832.db2.gz JIYAHHZAXHAOBH-RCCKNPSSSA-N 0 0 540.114 4.593 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000002320340 552093891 /nfs/dbraw/zinc/09/38/91/552093891.db2.gz JIYAHHZAXHAOBH-QNGOZBTKSA-N 0 0 540.114 4.593 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCc4ccccc4C3)nc12 ZINC000002335435 552096827 /nfs/dbraw/zinc/09/68/27/552096827.db2.gz XWGUPIKNZZEJPU-HMAPJEAMSA-N 0 0 514.632 4.560 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12 ZINC000002360092 552102144 /nfs/dbraw/zinc/10/21/44/552102144.db2.gz CWDAJIMSBCKRAL-MNTXUITRSA-N 0 0 508.694 4.519 50 10 KJCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S ZINC000002367423 552104358 /nfs/dbraw/zinc/10/43/58/552104358.db2.gz HQAYDDOXTMGHGB-JVDNRXPZSA-N 0 0 526.709 4.789 50 10 KJCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S ZINC000002367426 552104364 /nfs/dbraw/zinc/10/43/64/552104364.db2.gz HQAYDDOXTMGHGB-WPGBELRESA-N 0 0 526.709 4.789 50 10 KJCARN COc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000002374592 552106170 /nfs/dbraw/zinc/10/61/70/552106170.db2.gz DKZCPDRGOMCJFO-IAWHSNBSSA-N 0 0 522.590 4.791 50 10 KJCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000002376905 552107057 /nfs/dbraw/zinc/10/70/57/552107057.db2.gz KGLMCJBXQFWOLL-FVHJOOJJSA-N 0 0 539.704 4.635 50 10 KJCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000002376906 1066513528 /nfs/dbraw/zinc/51/35/28/1066513528.db2.gz KGLMCJBXQFWOLL-RXULLKCLSA-N 0 0 539.704 4.635 50 10 KJCARN Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 ZINC000002377385 552106947 /nfs/dbraw/zinc/10/69/47/552106947.db2.gz BKIBMKXJLXUCRN-XLNRJJMWSA-N 0 0 504.681 4.827 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4cccc(C)c4nc3N3CCC(C)CC3)SC2=S)cc1 ZINC000002377576 552106970 /nfs/dbraw/zinc/10/69/70/552106970.db2.gz ZHGCSFMMFWZBSC-QJOMJCCJSA-N 0 0 534.707 4.692 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000002377827 552106960 /nfs/dbraw/zinc/10/69/60/552106960.db2.gz MNANHCXGYXVVLQ-QJOMJCCJSA-N 0 0 549.697 4.612 50 10 KJCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002382621 552107715 /nfs/dbraw/zinc/10/77/15/552107715.db2.gz DALRZBBXLKECJX-HKOYGPOVSA-N 0 0 540.066 4.900 50 10 KJCARN Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000002390543 552108894 /nfs/dbraw/zinc/10/88/94/552108894.db2.gz OZGHIQMNJODGOW-BKUYFWCQSA-N 0 0 502.621 4.918 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 ZINC000002390582 552108890 /nfs/dbraw/zinc/10/88/90/552108890.db2.gz WDGUHOKDMVABJK-IWIPYMOSSA-N 0 0 556.669 4.788 50 10 KJCARN 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aggregator KJCARN CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000008691750 553118017 /nfs/dbraw/zinc/11/80/17/553118017.db2.gz LTYALSLLBKTIJI-GVAUOCQISA-N 0 0 523.545 4.859 50 10 aggregator KJCARN CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000008694353 553119315 /nfs/dbraw/zinc/11/93/15/553119315.db2.gz RIOOQGAIMSFMEL-WQRHYEAKSA-N 0 0 522.193 4.960 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008695565 553122174 /nfs/dbraw/zinc/12/21/74/553122174.db2.gz RYFNLCMIEZCRSJ-YNMQQHPQSA-N 0 0 559.663 4.744 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008695566 553122273 /nfs/dbraw/zinc/12/22/73/553122273.db2.gz RYFNLCMIEZCRSJ-ASZNLBCTSA-N 0 0 559.663 4.744 50 10 KJCARN Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008700763 553125608 /nfs/dbraw/zinc/12/56/08/553125608.db2.gz QEGKSNBFILGHNP-PYCFMQQDSA-N 0 0 520.680 4.885 50 10 KJCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000008714011 553128646 /nfs/dbraw/zinc/12/86/46/553128646.db2.gz BRCCAWYAXJCOIC-BOPFTXTBSA-N 0 0 508.406 4.830 50 10 KJCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000008722498 553130145 /nfs/dbraw/zinc/13/01/45/553130145.db2.gz KHSOHKYOSZMACM-PXLXIMEGSA-N 0 0 513.618 4.877 50 10 KJCARN CCCCCCOc1ccc(OCCOc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OCC)cc1 ZINC000008722609 553130116 /nfs/dbraw/zinc/13/01/16/553130116.db2.gz YEGHVOUETJYHPJ-UHFFFAOYSA-N 0 0 524.614 4.936 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000008739230 553131341 /nfs/dbraw/zinc/13/13/41/553131341.db2.gz IBSLNNRMQMJNJH-JCMHNJIXSA-N 0 0 522.696 4.940 50 10 KJCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1 ZINC000008743723 553133993 /nfs/dbraw/zinc/13/39/93/553133993.db2.gz LJECRXDNKHOFLX-NKFJNAIASA-N 0 0 504.593 4.882 50 10 KJCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000008764025 553138123 /nfs/dbraw/zinc/13/81/23/553138123.db2.gz CWRHDGCZMHANGT-OQKWZONESA-N 0 0 520.680 4.667 50 10 KJCARN Cn1cc(/C=C2/c3ccc(Cl)cc3N(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c2ccccc21 ZINC000008765149 553138139 /nfs/dbraw/zinc/13/81/39/553138139.db2.gz NPMRRGOIGHIZJN-KIPGBIETSA-N 0 0 511.025 4.957 50 10 biogenic KJCARN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O ZINC000008765838 553138648 /nfs/dbraw/zinc/13/86/48/553138648.db2.gz QNRSMANFRQOQEB-HAHDFKILSA-N 0 0 506.605 4.916 50 10 KJCARN COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)o1 ZINC000008767873 553139959 /nfs/dbraw/zinc/13/99/59/553139959.db2.gz WXIQNIXNFAJGOP-XGCFFSCVSA-N 0 0 500.536 4.740 50 10 KJCARN Cc1ccc(OCCn2cc(/C=C3/c4cc(S(=O)(=O)N5CCOCC5)ccc4N(C)C3=O)c3ccccc32)cc1 ZINC000008777576 553142586 /nfs/dbraw/zinc/14/25/86/553142586.db2.gz RBPXAZAGWPDPFY-USHMODERSA-N 0 0 557.672 4.567 50 10 KJCARN CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777579 553142606 /nfs/dbraw/zinc/14/26/06/553142606.db2.gz GVBKJVACKGKGRM-RRAHZORUSA-N 0 0 557.672 4.648 50 10 KJCARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777588 553142573 /nfs/dbraw/zinc/14/25/73/553142573.db2.gz IPDLYFDBPPQKDB-XYGWBWBKSA-N 0 0 548.064 4.881 50 10 KJCARN CN1C(=O)/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777593 553142608 /nfs/dbraw/zinc/14/26/08/553142608.db2.gz BEIXOAYLMUQLSV-QQXSKIMKSA-N 0 0 592.515 4.990 50 10 KJCARN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777595 553142599 /nfs/dbraw/zinc/14/25/99/553142599.db2.gz UEAUJJGQRREWFW-QQXSKIMKSA-N 0 0 548.064 4.881 50 10 KJCARN Cc1ccc(OCCn2cc(/C=C3/c4cc(S(=O)(=O)N5CCOCC5)ccc4N(C)C3=O)c3ccccc32)cc1C ZINC000008777605 553142568 /nfs/dbraw/zinc/14/25/68/553142568.db2.gz FWLBMIAMVLQOAZ-CEUNXORHSA-N 0 0 571.699 4.875 50 10 KJCARN CN1C(=O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777606 553142633 /nfs/dbraw/zinc/14/26/33/553142633.db2.gz OKNFQBAHVDSWMY-BWAHOGKJSA-N 0 0 578.090 4.912 50 10 KJCARN CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777612 553142798 /nfs/dbraw/zinc/14/27/98/553142798.db2.gz QBIDTJNUVWAXLJ-IMRQLAEWSA-N 0 0 578.090 4.912 50 10 KJCARN Cc1ccccc1OCCn1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c2ccccc21 ZINC000008777625 553142822 /nfs/dbraw/zinc/14/28/22/553142822.db2.gz JEOTXEZYXMOWJL-DIBXZPPDSA-N 0 0 557.672 4.567 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777639 553142830 /nfs/dbraw/zinc/14/28/30/553142830.db2.gz NUKSAMSMFZKEOD-PKAZHMFMSA-N 0 0 545.636 4.757 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777645 553142866 /nfs/dbraw/zinc/14/28/66/553142866.db2.gz TXTZUYYMFWMEGT-RRAHZORUSA-N 0 0 557.672 4.648 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000008777657 553142839 /nfs/dbraw/zinc/14/28/39/553142839.db2.gz UZQYAACLWRXSRY-OYKKKHCWSA-N 0 0 526.058 4.594 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000008777661 553142805 /nfs/dbraw/zinc/14/28/05/553142805.db2.gz MPODPTXZANYHTB-HAHDFKILSA-N 0 0 526.058 4.594 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008777672 553142817 /nfs/dbraw/zinc/14/28/17/553142817.db2.gz PEAVLZWGQZFMCJ-XKZIYDEJSA-N 0 0 546.476 4.939 50 10 KJCARN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/c4cc(S(=O)(=O)N5CCOCC5)ccc4N(C)C3=O)c2C)cc1 ZINC000008777677 553143102 /nfs/dbraw/zinc/14/31/02/553143102.db2.gz JBXYILBJIBELGM-USHMODERSA-N 0 0 577.703 4.589 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000008777684 553143088 /nfs/dbraw/zinc/14/30/88/553143088.db2.gz MGOSEFRKOVOPJY-VEILYXNESA-N 0 0 527.646 4.785 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000008777686 553143090 /nfs/dbraw/zinc/14/30/90/553143090.db2.gz JOYSSSDXFNGINR-IMRQLAEWSA-N 0 0 527.646 4.785 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000008777688 553143092 /nfs/dbraw/zinc/14/30/92/553143092.db2.gz NPAFHXCSMGAIED-MYKKPKGFSA-N 0 0 546.476 4.939 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000008777695 553143107 /nfs/dbraw/zinc/14/31/07/553143107.db2.gz HJAQCRFBTYBUOI-IWIPYMOSSA-N 0 0 570.509 4.703 50 10 KJCARN Cc1ccccc1OCCCn1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c2ccccc21 ZINC000008777967 553143125 /nfs/dbraw/zinc/14/31/25/553143125.db2.gz ZCYLZWBYDPBKOI-RRAHZORUSA-N 0 0 571.699 4.957 50 10 KJCARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777977 553143311 /nfs/dbraw/zinc/14/33/11/553143311.db2.gz JMXHUCXXHZAEOX-YSMPRRRNSA-N 0 0 592.515 4.990 50 10 KJCARN Cc1ccc(C)c(OCCn2cc(/C=C3/c4cc(S(=O)(=O)N5CCOCC5)ccc4N(C)C3=O)c3ccccc32)c1 ZINC000008777996 553143352 /nfs/dbraw/zinc/14/33/52/553143352.db2.gz QWMFGMDWKNIWOH-USHMODERSA-N 0 0 571.699 4.875 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778013 553143302 /nfs/dbraw/zinc/14/33/02/553143302.db2.gz OJPAPWDVZVMYEV-BRPDVVIDSA-N 0 0 571.699 4.957 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778023 553143350 /nfs/dbraw/zinc/14/33/50/553143350.db2.gz APRIJGYAZYODOI-BRPDVVIDSA-N 0 0 610.736 4.549 50 10 KJCARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000008778027 553143490 /nfs/dbraw/zinc/14/34/90/553143490.db2.gz CZMMAEIRGLFYPO-IMRQLAEWSA-N 0 0 527.646 4.618 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778032 553143496 /nfs/dbraw/zinc/14/34/96/553143496.db2.gz WLRGHPOTZYPNGS-ONUIUJJFSA-N 0 0 545.636 4.757 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778051 553143494 /nfs/dbraw/zinc/14/34/94/553143494.db2.gz VAKOBGHPUJNLLG-XHPQRKPJSA-N 0 0 575.662 4.787 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778054 553143555 /nfs/dbraw/zinc/14/35/55/553143555.db2.gz GWSMXFQLSRCDCK-BRPDVVIDSA-N 0 0 587.698 4.657 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3OC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778056 553143510 /nfs/dbraw/zinc/14/35/10/553143510.db2.gz SLNCDBXTRCBVHT-OOAXWGSJSA-N 0 0 587.698 4.657 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778063 553143550 /nfs/dbraw/zinc/14/35/50/553143550.db2.gz LOBPNFQGBLCXSD-PKAZHMFMSA-N 0 0 545.636 4.757 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778067 553143547 /nfs/dbraw/zinc/14/35/47/553143547.db2.gz HOWKIZSMAQUVCM-RRAHZORUSA-N 0 0 571.699 4.957 50 10 KJCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778071 553143532 /nfs/dbraw/zinc/14/35/32/553143532.db2.gz JIXGFOMJWDWZCK-USHMODERSA-N 0 0 575.662 4.787 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000008778088 553143753 /nfs/dbraw/zinc/14/37/53/553143753.db2.gz YIYADOKPLOAXOA-STZFKDTASA-N 0 0 546.476 4.939 50 10 KJCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000008778098 553143807 /nfs/dbraw/zinc/14/38/07/553143807.db2.gz VLAJKIHIIYSDJG-PKAZHMFMSA-N 0 0 605.717 4.895 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 ZINC000008779043 553143995 /nfs/dbraw/zinc/14/39/95/553143995.db2.gz NVDODKFVVMUOFE-TZSGJGDNSA-N 0 0 506.653 4.556 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 ZINC000008779044 553144039 /nfs/dbraw/zinc/14/40/39/553144039.db2.gz NVDODKFVVMUOFE-WRGIITOHSA-N 0 0 506.653 4.556 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 ZINC000008779045 553143959 /nfs/dbraw/zinc/14/39/59/553143959.db2.gz NVDODKFVVMUOFE-TVSMVJAGSA-N 0 0 506.653 4.556 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000008816917 553152344 /nfs/dbraw/zinc/15/23/44/553152344.db2.gz JHRBABRIALSDEL-VKRJAPGXSA-N 0 0 522.627 4.816 50 10 KJCARN COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000008830097 553157893 /nfs/dbraw/zinc/15/78/93/553157893.db2.gz BBEDGAJDIJKHKB-OYUWMTPXSA-N 0 0 538.600 4.968 50 10 KJCARN COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000008830098 553157958 /nfs/dbraw/zinc/15/79/58/553157958.db2.gz BBEDGAJDIJKHKB-VJGNERBWSA-N 0 0 538.600 4.968 50 10 KJCARN COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000008830099 553157969 /nfs/dbraw/zinc/15/79/69/553157969.db2.gz PJWHGLHNJDQFJG-OYUWMTPXSA-N 0 0 538.600 4.968 50 10 KJCARN COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000008830100 553157937 /nfs/dbraw/zinc/15/79/37/553157937.db2.gz PJWHGLHNJDQFJG-VJGNERBWSA-N 0 0 538.600 4.968 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12 ZINC000008834835 553161220 /nfs/dbraw/zinc/16/12/20/553161220.db2.gz CWDAJIMSBCKRAL-SWEXZPIWSA-N 0 0 508.694 4.519 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)C(C)C)C(C)(C)C2=S)S1 ZINC000008836029 553162857 /nfs/dbraw/zinc/16/28/57/553162857.db2.gz JJSNLTIPAMKUDV-UHFFFAOYSA-N 0 0 507.655 4.553 50 10 KJCARN CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000008837774 553164454 /nfs/dbraw/zinc/16/44/54/553164454.db2.gz UFNFSURVZXPBLD-PYCFMQQDSA-N 0 0 504.681 4.765 50 10 KJCARN Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCCC5)cc4N4CCCCC4)c(=O)n3c2cc1C ZINC000008854661 553166834 /nfs/dbraw/zinc/16/68/34/553166834.db2.gz FQQBSTJWPDAGNH-WGOQTCKBSA-N 0 0 517.655 4.963 50 10 KJCARN CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000008859269 553169292 /nfs/dbraw/zinc/16/92/92/553169292.db2.gz LJROFUGQEQSLLJ-QNGOZBTKSA-N 0 0 508.669 4.551 50 10 KJCARN CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000008859270 553169340 /nfs/dbraw/zinc/16/93/40/553169340.db2.gz INLZGUNGDMTXRA-RWZYYMRUSA-N 0 0 508.669 4.804 50 10 KJCARN CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000008859271 553169277 /nfs/dbraw/zinc/16/92/77/553169277.db2.gz INLZGUNGDMTXRA-TVJQZGFISA-N 0 0 508.669 4.804 50 10 KJCARN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1OC ZINC000008870256 553171459 /nfs/dbraw/zinc/17/14/59/553171459.db2.gz BNOVRKJLZLTHAS-JCMHNJIXSA-N 0 0 506.605 4.829 50 10 KJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000008870257 553171451 /nfs/dbraw/zinc/17/14/51/553171451.db2.gz GZSCKQRWDZZNDX-HAHDFKILSA-N 0 0 506.605 4.829 50 10 KJCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000008872507 553173595 /nfs/dbraw/zinc/17/35/95/553173595.db2.gz JOVMWTZTPWSJIY-WQRHYEAKSA-N 0 0 502.361 4.742 50 10 KJCARN CCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)SC1=S ZINC000008872589 553173764 /nfs/dbraw/zinc/17/37/64/553173764.db2.gz ZBJXXHSHXPSZOP-FXBPSFAMSA-N 0 0 540.114 4.676 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000008914259 553185752 /nfs/dbraw/zinc/18/57/52/553185752.db2.gz NTGCAUIPXMVQKQ-UIBINATQSA-N 0 0 504.593 4.882 50 10 KJCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000008914579 553185759 /nfs/dbraw/zinc/18/57/59/553185759.db2.gz KFZSFDRDLGDGKF-VIZRJVHBSA-N 0 0 502.644 4.849 50 10 KJCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccccc4OS(=O)(=O)c4ccc(C)cc4)C3=N)S2)cc1 ZINC000008916230 553186539 /nfs/dbraw/zinc/18/65/39/553186539.db2.gz ONAXKDBZXOTTSB-JMSPFPEISA-N 0 0 516.604 4.739 50 10 KJCARN COc1cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000008917722 553187164 /nfs/dbraw/zinc/18/71/64/553187164.db2.gz XBRBDPQLQNRWRF-PVHODMMVSA-N 0 0 509.558 4.735 50 10 biogenic KJCARN COc1cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000008917723 553187175 /nfs/dbraw/zinc/18/71/75/553187175.db2.gz XBRBDPQLQNRWRF-QKDODKLFSA-N 0 0 509.558 4.735 50 10 biogenic KJCARN COc1cccc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000008918043 553187605 /nfs/dbraw/zinc/18/76/05/553187605.db2.gz LZWPPLXYTQMXFG-QKDODKLFSA-N 0 0 507.542 4.643 50 10 biogenic KJCARN COc1cccc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000008918583 553188433 /nfs/dbraw/zinc/18/84/33/553188433.db2.gz LZWPPLXYTQMXFG-PVHODMMVSA-N 0 0 507.542 4.643 50 10 biogenic KJCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4cccc(NC(C)=O)c4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000008918602 553188533 /nfs/dbraw/zinc/18/85/33/553188533.db2.gz GXUAJUUEICEVSV-PKTNWEFCSA-N 0 0 506.558 4.676 50 10 biogenic KJCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4cccc(NC(C)=O)c4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000008918603 553188524 /nfs/dbraw/zinc/18/85/24/553188524.db2.gz GXUAJUUEICEVSV-KCHLEUMXSA-N 0 0 506.558 4.676 50 10 biogenic KJCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000008918612 553188555 /nfs/dbraw/zinc/18/85/55/553188555.db2.gz GYVBHSOTBVPNDX-ZNZIZOMTSA-N 0 0 509.558 4.735 50 10 biogenic KJCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000008918613 553188499 /nfs/dbraw/zinc/18/84/99/553188499.db2.gz GYVBHSOTBVPNDX-GSDHBNRESA-N 0 0 509.558 4.735 50 10 biogenic KJCARN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)c1 ZINC000008951297 553193450 /nfs/dbraw/zinc/19/34/50/553193450.db2.gz NJXJKWLIBPEGAR-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008997385 553197788 /nfs/dbraw/zinc/19/77/88/553197788.db2.gz LLYIJQAFASGJPQ-XIEYBQDHSA-N 0 0 500.580 4.966 50 10 KJCARN CC[C@@H](C)C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000009008479 553198785 /nfs/dbraw/zinc/19/87/85/553198785.db2.gz KDTDOWKIESEMSI-GFCCVEGCSA-N 0 0 521.682 4.943 50 10 KJCARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000009009708 553199470 /nfs/dbraw/zinc/19/94/70/553199470.db2.gz DNXKZEZLVGYCLF-QHCPKHFHSA-N 0 0 519.598 4.787 50 10 KJCARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000009009709 553199523 /nfs/dbraw/zinc/19/95/23/553199523.db2.gz DNXKZEZLVGYCLF-HSZRJFAPSA-N 0 0 519.598 4.787 50 10 KJCARN COc1ccc(-c2coc3c(C[NH+]4CCCCC4)c([O-])c(C[NH+]4CCCCC4)c([O-])c3c2=O)cc1OC ZINC000009033983 553201883 /nfs/dbraw/zinc/20/18/83/553201883.db2.gz XPNOMIDEYVNXJH-UHFFFAOYSA-N 0 0 508.615 4.860 50 10 biogenic KJCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OCC)cc3)C2=O)SC1=S ZINC000009041996 553202537 /nfs/dbraw/zinc/20/25/37/553202537.db2.gz POETVSBBJIHGMC-FCQUAONHSA-N 0 0 509.653 4.832 50 10 KJCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000009043810 553203183 /nfs/dbraw/zinc/20/31/83/553203183.db2.gz YHBQNIGFBZACRD-MDHMIDBASA-N 0 0 522.627 4.897 50 10 KJCARN O=C1Nc2ccccc2/C1=C/c1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 ZINC000009044256 553203119 /nfs/dbraw/zinc/20/31/19/553203119.db2.gz KGVQCWZJUICCNV-AQTBWJFISA-N 0 0 505.315 4.542 50 10 KJCARN O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000009045219 553203382 /nfs/dbraw/zinc/20/33/82/553203382.db2.gz DWKOMUHVFKNMIM-XIEYBQDHSA-N 0 0 500.580 4.966 50 10 KJCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=N)S1 ZINC000009065418 553205927 /nfs/dbraw/zinc/20/59/27/553205927.db2.gz GXXPWGLQDKEOER-OQYABBNDSA-N 0 0 512.613 4.581 50 10 KJCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCC[C@H](C)C2)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000009065745 553206166 /nfs/dbraw/zinc/20/61/66/553206166.db2.gz NFAKETGUVHAQGL-KRWDZBQOSA-N 0 0 507.583 4.908 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000009065850 553206148 /nfs/dbraw/zinc/20/61/48/553206148.db2.gz DLNQYVIPPVOEJG-XNPZUMIVSA-N 0 0 514.991 4.844 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 ZINC000009066446 553206204 /nfs/dbraw/zinc/20/62/04/553206204.db2.gz UVKHKBSXXVODFD-XNNCMUMCSA-N 0 0 522.627 4.835 50 10 KJCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c(OC)c1 ZINC000009075856 553207434 /nfs/dbraw/zinc/20/74/34/553207434.db2.gz VIABODDPPZERSB-UCQKPKSFSA-N 0 0 506.605 4.829 50 10 KJCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)c1 ZINC000009086449 553208575 /nfs/dbraw/zinc/20/85/75/553208575.db2.gz DPLVDEWFRIFGNN-NCELDCMTSA-N 0 0 519.648 4.555 50 10 KJCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)cc1 ZINC000009086490 553208543 /nfs/dbraw/zinc/20/85/43/553208543.db2.gz KZTJZXZCZFZENA-NCELDCMTSA-N 0 0 519.648 4.555 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000009087546 553208657 /nfs/dbraw/zinc/20/86/57/553208657.db2.gz IKVJYZCLCGIDKT-CCDWMCETSA-N 0 0 523.545 4.859 50 10 KJCARN CC(C)(C)OC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000009087547 553208721 /nfs/dbraw/zinc/20/87/21/553208721.db2.gz IKVJYZCLCGIDKT-ISJGIBHGSA-N 0 0 523.545 4.859 50 10 KJCARN Cc1ccccc1N1C(=O)C(=CNN2CCCC[C@@H]2c2cccnc2)C(=O)N(c2ccccc2C)C1=S ZINC000009109007 553209946 /nfs/dbraw/zinc/20/99/46/553209946.db2.gz CIESRWIKIYUZSD-AREMUKBSSA-N 0 0 511.651 4.979 50 10 KJCARN Cc1ccccc1N1C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C(=O)N(c2ccccc2C)C1=S ZINC000009109008 553209925 /nfs/dbraw/zinc/20/99/25/553209925.db2.gz CIESRWIKIYUZSD-SANMLTNESA-N 0 0 511.651 4.979 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009113256 553210613 /nfs/dbraw/zinc/21/06/13/553210613.db2.gz BZILITVYUKIESW-UHFFFAOYSA-N 0 0 521.683 4.671 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000009122104 553212085 /nfs/dbraw/zinc/21/20/85/553212085.db2.gz MMPQMMVJAPEHRH-NZAISQPBSA-N 0 0 522.627 4.897 50 10 KJCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000009158774 553215105 /nfs/dbraw/zinc/21/51/05/553215105.db2.gz VNYLLHWKANZQBU-VIZRJVHBSA-N 0 0 502.644 4.733 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000009158870 553215062 /nfs/dbraw/zinc/21/50/62/553215062.db2.gz GGSJVNWZDTXSFE-JPODZFEASA-N 0 0 503.971 4.990 50 10 KJCARN N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000009158934 553215298 /nfs/dbraw/zinc/21/52/98/553215298.db2.gz RYRNXLRBJABLSV-PPIATVRMSA-N 0 0 522.030 4.941 50 10 KJCARN N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000009161291 553215600 /nfs/dbraw/zinc/21/56/00/553215600.db2.gz VHMXRTVIASBQHH-CGYHDWOCSA-N 0 0 510.623 4.711 50 10 KJCARN Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 ZINC000009185107 553217020 /nfs/dbraw/zinc/21/70/20/553217020.db2.gz FLLYSXRHBBKGQW-XVCGDLFISA-N 0 0 501.612 4.596 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000009185414 553217222 /nfs/dbraw/zinc/21/72/22/553217222.db2.gz VAHVGQKPSBWCAQ-BYHVMHSWSA-N 0 0 515.526 4.506 50 10 KJCARN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000009187022 553217864 /nfs/dbraw/zinc/21/78/64/553217864.db2.gz ZXHIPZKCFHLRQQ-PXLXIMEGSA-N 0 0 503.605 4.559 50 10 KJCARN N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21 ZINC000009191805 553218621 /nfs/dbraw/zinc/21/86/21/553218621.db2.gz RBNQNTNHUMIKPA-RRABYFSWSA-N 0 0 522.030 4.941 50 10 KJCARN Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c2ccccc21 ZINC000009193026 553218992 /nfs/dbraw/zinc/21/89/92/553218992.db2.gz GVAXADSACZYWDW-DCAHJCEHSA-N 0 0 510.623 4.630 50 10 KJCARN O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009193033 553218914 /nfs/dbraw/zinc/21/89/14/553218914.db2.gz LNBZIGYNURQUTL-JCMHNJIXSA-N 0 0 505.512 4.556 50 10 KJCARN Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 ZINC000009210309 553220603 /nfs/dbraw/zinc/22/06/03/553220603.db2.gz MFBAPZAQDRYYBQ-XVCGDLFISA-N 0 0 501.612 4.596 50 10 KJCARN N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000009210690 553220911 /nfs/dbraw/zinc/22/09/11/553220911.db2.gz HJSDJQDZMKFLDN-NQXOJBCQSA-N 0 0 505.918 4.761 50 10 KJCARN N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000009215731 553221356 /nfs/dbraw/zinc/22/13/56/553221356.db2.gz JAIHEUSNXSJECU-LYEFFDOLSA-N 0 0 505.918 4.761 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000009227800 553222420 /nfs/dbraw/zinc/22/24/20/553222420.db2.gz ZEJGQNHJJYBRBW-UHFFFAOYSA-N 0 0 525.694 4.724 50 10 KJCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000009232554 553223883 /nfs/dbraw/zinc/22/38/83/553223883.db2.gz XADWXIVMIFZDFG-VSNPKZGJSA-N 0 0 509.035 4.769 50 10 KJCARN COc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)cc1 ZINC000009233634 553224578 /nfs/dbraw/zinc/22/45/78/553224578.db2.gz WIRWSGSTKPNJLQ-ZJRVSBDTSA-N 0 0 513.501 4.910 50 10 KJCARN CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C ZINC000009235631 553225371 /nfs/dbraw/zinc/22/53/71/553225371.db2.gz CLMXKTDVOYSEGM-BSMJIXEWSA-N 0 0 502.644 4.678 50 10 KJCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000009235803 553225369 /nfs/dbraw/zinc/22/53/69/553225369.db2.gz XFHKLDXVNWXOTL-WOJGMQOQSA-N 0 0 507.431 4.696 50 10 KJCARN 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50 10 KJCARN N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN21 ZINC000013770702 553489417 /nfs/dbraw/zinc/48/94/17/553489417.db2.gz FVDGJSZWFFPFAE-ADZLKVMLSA-N 0 0 508.003 4.551 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000013770863 553489506 /nfs/dbraw/zinc/48/95/06/553489506.db2.gz SLZUKFSOVLDNOP-DDSBZIKFSA-N 0 0 511.563 4.675 50 10 KJCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000013774172 553489532 /nfs/dbraw/zinc/48/95/32/553489532.db2.gz CWRHDGCZMHANGT-XLNRJJMWSA-N 0 0 520.680 4.667 50 10 KJCARN CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000013774337 553489610 /nfs/dbraw/zinc/48/96/10/553489610.db2.gz BPRIWDYTEFIURX-NKFKGCMQSA-N 0 0 512.660 4.775 50 10 KJCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000013775107 553489833 /nfs/dbraw/zinc/48/98/33/553489833.db2.gz BSAPMKAUEDCBOM-RGEXLXHISA-N 0 0 513.710 4.908 50 10 KJCARN 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COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 ZINC000013801248 553491407 /nfs/dbraw/zinc/49/14/07/553491407.db2.gz NJSAIEZYGYMNSV-BBEAQGETSA-N 0 0 511.621 4.703 50 10 KJCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)cc1 ZINC000013801251 553491329 /nfs/dbraw/zinc/49/13/29/553491329.db2.gz NJSAIEZYGYMNSV-DCYIGYBVSA-N 0 0 511.621 4.703 50 10 KJCARN CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000013806127 553491772 /nfs/dbraw/zinc/49/17/72/553491772.db2.gz BPNNRWAQPPGVET-NCJDQSJGSA-N 0 0 522.696 4.930 50 10 KJCARN CCCCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000013806131 553491751 /nfs/dbraw/zinc/49/17/51/553491751.db2.gz BPNNRWAQPPGVET-YVUGPFRESA-N 0 0 522.696 4.930 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000013806909 553491738 /nfs/dbraw/zinc/49/17/38/553491738.db2.gz MNBVNDSWZISDPB-JHRFGPFWSA-N 0 0 520.680 4.682 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000013806912 553491763 /nfs/dbraw/zinc/49/17/63/553491763.db2.gz MNBVNDSWZISDPB-FLVGQNKLSA-N 0 0 520.680 4.682 50 10 KJCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000013809820 553492078 /nfs/dbraw/zinc/49/20/78/553492078.db2.gz TULRCDVGZHSLHM-ATVHPVEESA-N 0 0 508.406 4.830 50 10 KJCARN COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000013810287 553492360 /nfs/dbraw/zinc/49/23/60/553492360.db2.gz TWJIPUQXMAQJLD-ZKNSXIRRSA-N 0 0 517.588 4.767 50 10 KJCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)C2=O)cc1 ZINC000013810537 553492358 /nfs/dbraw/zinc/49/23/58/553492358.db2.gz LIQLLQFZHYAGEJ-IZHYLOQSSA-N 0 0 513.644 4.794 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCc4ccccc4C3)nc12 ZINC000013811650 553492653 /nfs/dbraw/zinc/49/26/53/553492653.db2.gz URCHHRQKWBCLEH-JCMHNJIXSA-N 0 0 502.665 4.709 50 10 KJCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 ZINC000013881019 553493945 /nfs/dbraw/zinc/49/39/45/553493945.db2.gz KGIVXVZADQDNHN-OEAKJJBVSA-N 0 0 503.580 4.864 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000013892667 553494203 /nfs/dbraw/zinc/49/42/03/553494203.db2.gz XCIBUOQWDYORMS-JZBIWTJYSA-N 0 0 518.517 4.951 50 10 KJCARN COc1ccccc1OCCOc1c(Br)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC ZINC000013894353 553494323 /nfs/dbraw/zinc/49/43/23/553494323.db2.gz VDFYYMQCGGKKCV-PDGQHHTCSA-N 0 0 510.431 4.755 50 10 KJCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000013894556 553494517 /nfs/dbraw/zinc/49/45/17/553494517.db2.gz XBUUHRMROUDEET-NZAISQPBSA-N 0 0 522.627 4.897 50 10 KJCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 ZINC000013894867 553494500 /nfs/dbraw/zinc/49/45/00/553494500.db2.gz JQMUGECUYOMSQP-LDADJPATSA-N 0 0 510.431 4.803 50 10 KJCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000013895121 553494503 /nfs/dbraw/zinc/49/45/03/553494503.db2.gz XZHJDVDPDJTANN-AKZCVUIYSA-N 0 0 508.600 4.971 50 10 KJCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000013895374 553494531 /nfs/dbraw/zinc/49/45/31/553494531.db2.gz GJMQKCLGCQCABI-UCXLZHGVSA-N 0 0 508.600 4.971 50 10 KJCARN COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)cc1OC(C)=O ZINC000013915500 553495601 /nfs/dbraw/zinc/49/56/01/553495601.db2.gz WYYFYCSUMPYLIM-PXNMLYILSA-N 0 0 508.166 4.952 50 10 KJCARN COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000013940066 553495971 /nfs/dbraw/zinc/49/59/71/553495971.db2.gz VXRKURLJHHSQDB-JCMHNJIXSA-N 0 0 517.494 4.876 50 10 KJCARN COc1cccc(OCCOc2c(Br)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 ZINC000013940111 553495989 /nfs/dbraw/zinc/49/59/89/553495989.db2.gz FOLMYUCZKVVBFX-WOJGMQOQSA-N 0 0 510.431 4.755 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 ZINC000013940122 553496206 /nfs/dbraw/zinc/49/62/06/553496206.db2.gz WZIVOCKTIQZBPY-ICALIKLASA-N 0 0 508.600 4.827 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000013940261 553496166 /nfs/dbraw/zinc/49/61/66/553496166.db2.gz UHTWBRDVNZYVLQ-ATASTKJTSA-N 0 0 514.538 4.915 50 10 KJCARN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000013940606 553496285 /nfs/dbraw/zinc/49/62/85/553496285.db2.gz PSGFUGXYVVVZNC-YFIZFCHVSA-N 0 0 508.600 4.745 50 10 KJCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)cc1 ZINC000013940848 553496554 /nfs/dbraw/zinc/49/65/54/553496554.db2.gz WDVFVCPIACSXTN-AKZCVUIYSA-N 0 0 508.600 4.827 50 10 KJCARN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 ZINC000013940874 553496510 /nfs/dbraw/zinc/49/65/10/553496510.db2.gz LTOKZGQVCWEIST-XSFVSMFZSA-N 0 0 512.590 4.764 50 10 KJCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 ZINC000013940882 553496538 /nfs/dbraw/zinc/49/65/38/553496538.db2.gz ATRUMIVQFLHWPR-FMFOLGPSSA-N 0 0 508.600 4.827 50 10 KJCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1cccc(OC)c1 ZINC000013941831 553496615 /nfs/dbraw/zinc/49/66/15/553496615.db2.gz XSJNBMFGATYJIS-WQRHYEAKSA-N 0 0 510.431 4.803 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000013942961 553496900 /nfs/dbraw/zinc/49/69/00/553496900.db2.gz JEPBHIPNAQPRPD-BPYHLWOZSA-N 0 0 518.517 4.951 50 10 KJCARN Cc1cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c(C)n1-c1ccc(C)cc1 ZINC000014357388 553512325 /nfs/dbraw/zinc/51/23/25/553512325.db2.gz DQEDBGCMJHOUOM-VWLOTQADSA-N 0 0 517.047 4.785 50 10 KJCARN COc1ccccc1NC(=O)C(=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC ZINC000014360036 553513823 /nfs/dbraw/zinc/51/38/23/553513823.db2.gz XAXJRHJMXDCASM-UHFFFAOYSA-N 0 0 516.554 4.873 50 10 KJCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C3=NNC(=Nc4ccc(OC)cc4)SC3)c2C)c1 ZINC000014361407 553514476 /nfs/dbraw/zinc/51/44/76/553514476.db2.gz WNHSJUMCIKPRFS-UHFFFAOYSA-N 0 0 506.584 4.595 50 10 KJCARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1ccccc1O ZINC000014994336 1067160831 /nfs/dbraw/zinc/16/08/31/1067160831.db2.gz DMIKRDJFPVRTPO-OFNKIYASSA-N 0 0 503.986 4.740 50 10 KJCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000015012112 553525639 /nfs/dbraw/zinc/52/56/39/553525639.db2.gz BVRGBZNJJWHXHH-GIJQJNRQSA-N 0 0 507.431 4.581 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 ZINC000015229585 553529691 /nfs/dbraw/zinc/52/96/91/553529691.db2.gz NBLHKKQCHWZDEW-WRGIITOHSA-N 0 0 506.653 4.556 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 ZINC000015229586 553529689 /nfs/dbraw/zinc/52/96/89/553529689.db2.gz NBLHKKQCHWZDEW-TZSGJGDNSA-N 0 0 506.653 4.556 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 ZINC000015229588 553529669 /nfs/dbraw/zinc/52/96/69/553529669.db2.gz NBLHKKQCHWZDEW-TVSMVJAGSA-N 0 0 506.653 4.556 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000015240542 553530037 /nfs/dbraw/zinc/53/00/37/553530037.db2.gz SWYZIHREWCNRCS-JVWWFMRHSA-N 0 0 508.600 4.827 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000015240561 553530244 /nfs/dbraw/zinc/53/02/44/553530244.db2.gz RTNIUJLDLPYSOP-NHQDZBNKSA-N 0 0 522.627 4.753 50 10 KJCARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Br)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 ZINC000015412997 553532543 /nfs/dbraw/zinc/53/25/43/553532543.db2.gz SXPYDLRCDCBXDU-VWLOTQADSA-N 0 0 524.415 4.653 50 10 KJCARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Br)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c1 ZINC000015413000 553532544 /nfs/dbraw/zinc/53/25/44/553532544.db2.gz SXPYDLRCDCBXDU-RUZDIDTESA-N 0 0 524.415 4.653 50 10 KJCARN O=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 ZINC000015768981 553536066 /nfs/dbraw/zinc/53/60/66/553536066.db2.gz DIVPXQQYIMKBSW-XSFVSMFZSA-N 0 0 512.590 4.764 50 10 KJCARN CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000015953238 553545787 /nfs/dbraw/zinc/54/57/87/553545787.db2.gz HMGQPWXMKKUEFQ-UHFFFAOYSA-N 0 0 503.112 4.652 50 10 KJCARN CCOc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c([N+](=O)[O-])c1 ZINC000015978245 553548024 /nfs/dbraw/zinc/54/80/24/553548024.db2.gz VHJRSJMYWBQRMR-UHFFFAOYSA-N 0 0 501.923 4.859 50 10 KJCARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016007446 553550263 /nfs/dbraw/zinc/55/02/63/553550263.db2.gz XQRMMMHCZYYYPB-VJGNERBWSA-N 0 0 509.558 4.700 50 10 KJCARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016007449 553550269 /nfs/dbraw/zinc/55/02/69/553550269.db2.gz XQRMMMHCZYYYPB-QKDODKLFSA-N 0 0 509.558 4.700 50 10 KJCARN CCOc1ccc(NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000016035641 553552125 /nfs/dbraw/zinc/55/21/25/553552125.db2.gz GDGKGVKLAQAOIV-UHFFFAOYSA-N 0 0 515.610 4.981 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000016038309 553552598 /nfs/dbraw/zinc/55/25/98/553552598.db2.gz LTYALSLLBKTIJI-CCDWMCETSA-N 0 0 523.545 4.859 50 10 KJCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=N)S1 ZINC000016185215 553555993 /nfs/dbraw/zinc/55/59/93/553555993.db2.gz YTWRVQRWULYEIX-RSPUHVBCSA-N 0 0 523.571 4.871 50 10 KJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCCCCCCNC=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000016292686 553559216 /nfs/dbraw/zinc/55/92/16/553559216.db2.gz OPXOZCFBEPZSDM-RSSRHXQMSA-N 0 0 512.658 4.956 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016309585 553559615 /nfs/dbraw/zinc/55/96/15/553559615.db2.gz VWVGQRJPGMGTMW-UHFFFAOYSA-N 0 0 528.074 4.510 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000016312009 553559934 /nfs/dbraw/zinc/55/99/34/553559934.db2.gz LSSXKZMWUNIEEH-UHFFFAOYSA-N 0 0 528.074 4.510 50 10 KJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000016671884 553571409 /nfs/dbraw/zinc/57/14/09/553571409.db2.gz RMVSCFATWNZHJF-JCMHNJIXSA-N 0 0 511.401 4.968 50 10 KJCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 ZINC000016701072 553574718 /nfs/dbraw/zinc/57/47/18/553574718.db2.gz MCHOTECJYCKVNS-UQQQWYQISA-N 0 0 529.666 4.804 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000016713573 553575157 /nfs/dbraw/zinc/57/51/57/553575157.db2.gz AJWPBUUJVWEYHA-BKUYFWCQSA-N 0 0 502.621 4.918 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2NCc2ccco2)SC(=S)N1Cc1ccccc1Cl ZINC000016729307 553575588 /nfs/dbraw/zinc/57/55/88/553575588.db2.gz NTEGKXVYSHHXKB-UNOMPAQXSA-N 0 0 509.012 4.954 50 10 KJCARN Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000016729389 553575556 /nfs/dbraw/zinc/57/55/56/553575556.db2.gz IZDXERVATZIIHK-VHXPQNKSSA-N 0 0 517.607 4.891 50 10 KJCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(CCOC)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000016730033 553576342 /nfs/dbraw/zinc/57/63/42/553576342.db2.gz ALIHCGRGDSJLSR-PXLXIMEGSA-N 0 0 510.597 4.694 50 10 KJCARN Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000016730346 553576461 /nfs/dbraw/zinc/57/64/61/553576461.db2.gz LBQQXRCQFIWBJQ-FCQUAONHSA-N 0 0 503.605 4.653 50 10 KJCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)SC1=S ZINC000016730531 553576427 /nfs/dbraw/zinc/57/64/27/553576427.db2.gz KCLDKACKILTXME-VHXPQNKSSA-N 0 0 507.681 4.544 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000016730621 553576487 /nfs/dbraw/zinc/57/64/87/553576487.db2.gz OMSHVGVQYGMWAY-MTJSOVHGSA-N 0 0 502.621 4.918 50 10 KJCARN Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1C ZINC000016730682 553576711 /nfs/dbraw/zinc/57/67/11/553576711.db2.gz XVWDJELKLDSFJZ-FCQUAONHSA-N 0 0 503.605 4.653 50 10 KJCARN Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000016730957 553576934 /nfs/dbraw/zinc/57/69/34/553576934.db2.gz WTTKPDZWNKXUGA-FCQUAONHSA-N 0 0 503.605 4.653 50 10 KJCARN COc1ccc(CN2C(=O)/C(=C/c3c(NC4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 ZINC000016731606 553577063 /nfs/dbraw/zinc/57/70/63/553577063.db2.gz NFCFOJNQUQODKX-QNGOZBTKSA-N 0 0 506.653 4.849 50 10 KJCARN O=C1/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC(=S)N1C[C@@H]1CCCO1 ZINC000016731873 553577302 /nfs/dbraw/zinc/57/73/02/553577302.db2.gz AWBLPFIMSDNFBV-JVMRMLDLSA-N 0 0 515.454 4.746 50 10 KJCARN O=C1/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC(=S)N1C[C@H]1CCCO1 ZINC000016731876 553577347 /nfs/dbraw/zinc/57/73/47/553577347.db2.gz AWBLPFIMSDNFBV-DVSFIDLUSA-N 0 0 515.454 4.746 50 10 KJCARN Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000016731957 553577316 /nfs/dbraw/zinc/57/73/16/553577316.db2.gz IVSQEHJZDHZRDY-LNVKXUELSA-N 0 0 503.605 4.653 50 10 KJCARN COCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000016731989 553577518 /nfs/dbraw/zinc/57/75/18/553577518.db2.gz BSEQECPBJPOYMO-HNENSFHCSA-N 0 0 503.443 4.604 50 10 KJCARN CCOCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000016732077 553577567 /nfs/dbraw/zinc/57/75/67/553577567.db2.gz JZUULQLQWYLKBK-VXPUYCOJSA-N 0 0 517.470 4.994 50 10 KJCARN CCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)C1=O ZINC000016732079 553577557 /nfs/dbraw/zinc/57/75/57/553577557.db2.gz XUSNOLNWZFNILA-HNENSFHCSA-N 0 0 503.443 4.638 50 10 KJCARN CCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)C1=O ZINC000016732215 553577536 /nfs/dbraw/zinc/57/75/36/553577536.db2.gz XRLZMBPNGUNEEK-HNENSFHCSA-N 0 0 503.443 4.986 50 10 KJCARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 ZINC000016733614 553578110 /nfs/dbraw/zinc/57/81/10/553578110.db2.gz ODEUHOYCJSUCNC-SJJRUYGKSA-N 0 0 508.644 4.717 50 10 KJCARN C[C@@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 ZINC000016733620 553578107 /nfs/dbraw/zinc/57/81/07/553578107.db2.gz ODEUHOYCJSUCNC-POKCEJIYSA-N 0 0 508.644 4.717 50 10 KJCARN C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 ZINC000016733623 553578113 /nfs/dbraw/zinc/57/81/13/553578113.db2.gz ODEUHOYCJSUCNC-HEXNSGTLSA-N 0 0 508.644 4.717 50 10 KJCARN Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000016734677 553578563 /nfs/dbraw/zinc/57/85/63/553578563.db2.gz DSDHWWKYAQAIQC-MTJSOVHGSA-N 0 0 502.621 4.918 50 10 KJCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C ZINC000016741223 553579600 /nfs/dbraw/zinc/57/96/00/553579600.db2.gz BXBOVIIMOZROOB-UQQQWYQISA-N 0 0 529.666 4.804 50 10 KJCARN COc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)c1 ZINC000016790596 553582492 /nfs/dbraw/zinc/58/24/92/553582492.db2.gz KBXVWKBMGHNMEK-HYARGMPZSA-N 0 0 504.589 4.769 50 10 KJCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC ZINC000016805298 553582870 /nfs/dbraw/zinc/58/28/70/553582870.db2.gz RUKZEXGTQSONMP-FVHJOOJJSA-N 0 0 507.637 4.937 50 10 KJCARN Cc1ccccc1NC(=O)CN1c2ccccc2/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)C1=O ZINC000016805525 553583093 /nfs/dbraw/zinc/58/30/93/553583093.db2.gz JXKBKJNJLHHWMT-IZHYLOQSSA-N 0 0 513.644 4.794 50 10 KJCARN Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000016805553 553582966 /nfs/dbraw/zinc/58/29/66/553582966.db2.gz APFWXSNIRYZNQQ-VHXPQNKSSA-N 0 0 517.607 4.891 50 10 KJCARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000016915122 553583915 /nfs/dbraw/zinc/58/39/15/553583915.db2.gz UNXLBPYKZGMPOE-UHFFFAOYSA-N 0 0 502.592 4.668 50 10 KJCARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000016915333 553583935 /nfs/dbraw/zinc/58/39/35/553583935.db2.gz XJTKDNNLVFZPBE-UHFFFAOYSA-N 0 0 510.571 4.535 50 10 KJCARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000016915343 553583923 /nfs/dbraw/zinc/58/39/23/553583923.db2.gz ZRMIWONUFXDQIH-UHFFFAOYSA-N 0 0 510.571 4.535 50 10 KJCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000017337494 553593346 /nfs/dbraw/zinc/59/33/46/553593346.db2.gz LIYTVFAOBHTWGS-FYYJVHHASA-N 0 0 539.704 4.716 50 10 KJCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000017337497 553593355 /nfs/dbraw/zinc/59/33/55/553593355.db2.gz LIYTVFAOBHTWGS-XUVWKZFSSA-N 0 0 539.704 4.716 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000017721282 553599252 /nfs/dbraw/zinc/59/92/52/553599252.db2.gz FNXVYEXICLKDEB-HKBOAZHASA-N 0 0 536.765 4.798 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1 ZINC000017779364 553599700 /nfs/dbraw/zinc/59/97/00/553599700.db2.gz CGXVCUKBELAARW-VJBWXMMDSA-N 0 0 577.374 4.549 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000017784201 553599901 /nfs/dbraw/zinc/59/99/01/553599901.db2.gz JDTVXFKPRROASM-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)c(Cl)c1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000017837469 553599932 /nfs/dbraw/zinc/59/99/32/553599932.db2.gz VDTDCNPFABPXQH-HKBOAZHASA-N 0 0 554.755 4.937 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(I)cc3)C(=O)c3ccccc3C2=O)cc1C ZINC000017856939 553600217 /nfs/dbraw/zinc/60/02/17/553600217.db2.gz GKVGGQGTXNBZNT-XPWALMASSA-N 0 0 577.374 4.603 50 10 KJCARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000017857132 553600185 /nfs/dbraw/zinc/60/01/85/553600185.db2.gz IMKHPGFFJLWECS-FSSWDIPSSA-N 0 0 522.340 4.697 50 10 KJCARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000017994555 553601430 /nfs/dbraw/zinc/60/14/30/553601430.db2.gz OIZCASAOMXEDTK-VJBWXMMDSA-N 0 0 530.374 4.761 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000017995286 553601470 /nfs/dbraw/zinc/60/14/70/553601470.db2.gz BNEGXOKJAOSICZ-GIWBLDEGSA-N 0 0 564.377 4.865 50 10 KJCARN Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 ZINC000018082906 553603593 /nfs/dbraw/zinc/60/35/93/553603593.db2.gz KIBFUFAIRDNYSA-YRSFKCCTSA-N 0 0 504.681 4.887 50 10 KJCARN Cc1c(Cl)cccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000018090726 553604110 /nfs/dbraw/zinc/60/41/10/553604110.db2.gz QHLBGHUSIMRSAN-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 ZINC000018115652 553604745 /nfs/dbraw/zinc/60/47/45/553604745.db2.gz LTGPGKXGUSAGQW-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000018122380 553605416 /nfs/dbraw/zinc/60/54/16/553605416.db2.gz KXFPUEAMDGWNNW-ACRUOGEOSA-N 0 0 509.411 4.540 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000018122382 553605397 /nfs/dbraw/zinc/60/53/97/553605397.db2.gz KXFPUEAMDGWNNW-PCCBWWKXSA-N 0 0 509.411 4.540 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018123009 553605347 /nfs/dbraw/zinc/60/53/47/553605347.db2.gz BADACNGLHQXBIU-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018123011 553605389 /nfs/dbraw/zinc/60/53/89/553605389.db2.gz BADACNGLHQXBIU-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 ZINC000018142969 553605924 /nfs/dbraw/zinc/60/59/24/553605924.db2.gz NTSJIRBXMCCEEV-ONTIZHBOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]32)cc1 ZINC000018142972 553605963 /nfs/dbraw/zinc/60/59/63/553605963.db2.gz NTSJIRBXMCCEEV-RZUBCFFCSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1 ZINC000018180020 553607640 /nfs/dbraw/zinc/60/76/40/553607640.db2.gz BDLFQAUUHXLWPF-FKBYEOEOSA-N 0 0 505.448 4.709 50 10 KJCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 ZINC000018180023 553607562 /nfs/dbraw/zinc/60/75/62/553607562.db2.gz BDLFQAUUHXLWPF-FDFHNCONSA-N 0 0 505.448 4.709 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]23)cc1 ZINC000018180045 553607636 /nfs/dbraw/zinc/60/76/36/553607636.db2.gz ABZJBTHHXFRTBH-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000018180249 553607577 /nfs/dbraw/zinc/60/75/77/553607577.db2.gz JDTVXFKPRROASM-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000018180621 553607556 /nfs/dbraw/zinc/60/75/56/553607556.db2.gz OFJOQMMYCMPPEC-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc(Cl)c2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018181405 553607694 /nfs/dbraw/zinc/60/76/94/553607694.db2.gz VGNSGUPPRNPODM-JAXLGGSGSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Cl)c2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000018181407 553607707 /nfs/dbraw/zinc/60/77/07/553607707.db2.gz VGNSGUPPRNPODM-ONTIZHBOSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000018181993 553608124 /nfs/dbraw/zinc/60/81/24/553608124.db2.gz NDKOWKXNCQBBAV-PCCBWWKXSA-N 0 0 510.304 4.828 50 10 KJCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(I)c(OC)c(OC)c3)S2)cc1 ZINC000018193854 553608323 /nfs/dbraw/zinc/60/83/23/553608323.db2.gz GXXHPQJWMXQCDD-BOPFTXTBSA-N 0 0 510.353 4.790 50 10 KJCARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000018203709 553610226 /nfs/dbraw/zinc/61/02/26/553610226.db2.gz LNDUMNMWNDUWSG-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018246829 553611032 /nfs/dbraw/zinc/61/10/32/553611032.db2.gz LUDNBEDYZWKYCU-PFBJBMPXSA-N 0 0 508.534 4.865 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Cl)c3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000018249394 553611318 /nfs/dbraw/zinc/61/13/18/553611318.db2.gz QGULSHDXKFCOIL-BHIFYINESA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000018249396 553611320 /nfs/dbraw/zinc/61/13/20/553611320.db2.gz QGULSHDXKFCOIL-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000018250092 553611331 /nfs/dbraw/zinc/61/13/31/553611331.db2.gz YNUMYWPQVJUWII-HBMCJLEFSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000018250094 553611302 /nfs/dbraw/zinc/61/13/02/553611302.db2.gz YNUMYWPQVJUWII-PCCBWWKXSA-N 0 0 510.304 4.828 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]23)cc1 ZINC000018266880 553611621 /nfs/dbraw/zinc/61/16/21/553611621.db2.gz JJFVBYQYOZEZDB-FSSWDIPSSA-N 0 0 505.448 4.709 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000018266885 553611609 /nfs/dbraw/zinc/61/16/09/553611609.db2.gz PGSHGPYRJVJDQT-HKBOAZHASA-N 0 0 509.411 4.540 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000018266888 553611527 /nfs/dbraw/zinc/61/15/27/553611527.db2.gz PGSHGPYRJVJDQT-PCCBWWKXSA-N 0 0 509.411 4.540 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000018266890 553611820 /nfs/dbraw/zinc/61/18/20/553611820.db2.gz PGSHGPYRJVJDQT-ACRUOGEOSA-N 0 0 509.411 4.540 50 10 KJCARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000018276909 553611899 /nfs/dbraw/zinc/61/18/99/553611899.db2.gz LNDUMNMWNDUWSG-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 ZINC000018355146 553612411 /nfs/dbraw/zinc/61/24/11/553612411.db2.gz XIGIYRWVROLPPH-HBMCJLEFSA-N 0 0 583.765 4.640 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000018355149 553612480 /nfs/dbraw/zinc/61/24/80/553612480.db2.gz 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50 10 KJCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N(C)Cc3ccccc3)nc12 ZINC000027016753 553823110 /nfs/dbraw/zinc/82/31/10/553823110.db2.gz DSVATZUQXOPCMH-KGENOOAVSA-N 0 0 502.621 4.634 50 10 KJCARN COc1ccc(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1OC ZINC000027019932 553823769 /nfs/dbraw/zinc/82/37/69/553823769.db2.gz BIEOLNGQJKHVNH-QJOMJCCJSA-N 0 0 512.697 4.952 50 10 KJCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)S2)CC1 ZINC000027515409 553826656 /nfs/dbraw/zinc/82/66/56/553826656.db2.gz YYGKHAKRCUWVFT-NCELDCMTSA-N 0 0 519.648 4.555 50 10 KJCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027520807 553827070 /nfs/dbraw/zinc/82/70/70/553827070.db2.gz HJGJHVQHDCNUET-PXLXIMEGSA-N 0 0 509.360 4.833 50 10 KJCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000027520808 553827001 /nfs/dbraw/zinc/82/70/01/553827001.db2.gz BDNGOJAUFPLWCV-HYARGMPZSA-N 0 0 509.360 4.833 50 10 KJCARN 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CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000027549326 553833559 /nfs/dbraw/zinc/83/35/59/553833559.db2.gz XUIAWXIRGPYNLT-LTVAAQCESA-N 0 0 508.600 4.971 50 10 KJCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC ZINC000027549747 553833777 /nfs/dbraw/zinc/83/37/77/553833777.db2.gz AUQLAVXCFIHMCO-WONLVIOOSA-N 0 0 508.600 4.827 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 ZINC000027549788 553834097 /nfs/dbraw/zinc/83/40/97/553834097.db2.gz UWALRSXGCTUSJG-XYSYLGEOSA-N 0 0 514.991 4.844 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000027549792 553834088 /nfs/dbraw/zinc/83/40/88/553834088.db2.gz CGWWQTZVFVDPHT-KRKDOYDSSA-N 0 0 514.991 4.844 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000027549806 553834098 /nfs/dbraw/zinc/83/40/98/553834098.db2.gz LQKBMQLNNAOFRN-BPYHLWOZSA-N 0 0 518.517 4.951 50 10 KJCARN 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COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000029749482 553852301 /nfs/dbraw/zinc/85/23/01/553852301.db2.gz ZRVHJXXWWOFZLZ-UHFFFAOYSA-N 0 0 589.652 4.930 50 10 KJCARN Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1Cl ZINC000032099569 553862680 /nfs/dbraw/zinc/86/26/80/553862680.db2.gz VLGVDEQKTSMAEQ-BOPFTXTBSA-N 0 0 509.893 4.904 50 10 KJCARN Cc1c(Cl)cccc1-c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)o1 ZINC000032099575 553862590 /nfs/dbraw/zinc/86/25/90/553862590.db2.gz ZCJNWTHPNUOBFY-BOPFTXTBSA-N 0 0 509.893 4.904 50 10 KJCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OS(=O)(=O)c5ccc(C)cc5)cc4)C3=N)S2)cc1 ZINC000032109365 553862906 /nfs/dbraw/zinc/86/29/06/553862906.db2.gz ABQNKKFGOCYXAP-XTOVRFJNSA-N 0 0 516.604 4.739 50 10 KJCARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 ZINC000032109456 553863175 /nfs/dbraw/zinc/86/31/75/553863175.db2.gz FFSIEINXLNAYBY-FNKNWIJASA-N 0 0 508.625 4.962 50 10 KJCARN 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COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C ZINC000033293588 553920721 /nfs/dbraw/zinc/92/07/21/553920721.db2.gz DZGIYWNZDZUDAV-OEAKJJBVSA-N 0 0 503.580 4.864 50 10 KJCARN Cc1c(N2C(=O)/C(=C/C(Cl)=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000033304476 1066483916 /nfs/dbraw/zinc/48/39/16/1066483916.db2.gz PZODJLMDUBFSMQ-UBSBAQTRSA-N 0 0 513.000 4.921 50 10 KJCARN O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000033330015 1066483937 /nfs/dbraw/zinc/48/39/37/1066483937.db2.gz JZUMOIQZLAHFBX-GHVJWSGMSA-N 0 0 503.580 4.583 50 10 KJCARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3\SC(=S)N(C4CCCCC4)C3=O)C2=O)cc1 ZINC000033330204 1066484044 /nfs/dbraw/zinc/48/40/44/1066484044.db2.gz QUIIXEBIIAKYSY-GHVJWSGMSA-N 0 0 507.637 4.585 50 10 KJCARN CC(=O)N1C(=O)C(=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c2cc(Br)ccc21 ZINC000033332299 553921061 /nfs/dbraw/zinc/92/10/61/553921061.db2.gz IQWPVWHYWUHBAK-FOCLMDBBSA-N 0 0 510.291 4.814 50 10 KJCARN 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COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000033337457 553921587 /nfs/dbraw/zinc/92/15/87/553921587.db2.gz JZFPVOKPFAXOLB-OEAKJJBVSA-N 0 0 507.637 4.977 50 10 KJCARN Cc1ccc(COc2c(Br)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2Br)cc1 ZINC000033353319 553924411 /nfs/dbraw/zinc/92/44/11/553924411.db2.gz CWLUSMWJTSJZEB-UHFFFAOYSA-N 0 0 522.193 4.533 50 10 KJCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)Nc2ccc(I)cc2)cc1 ZINC000033353411 553925082 /nfs/dbraw/zinc/92/50/82/553925082.db2.gz YDHPISXQZLQKRA-JCMHNJIXSA-N 0 0 529.353 4.906 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000033353462 553925392 /nfs/dbraw/zinc/92/53/92/553925392.db2.gz FMPYQURAUHEEPG-ALUWMOPFSA-N 0 0 681.552 4.848 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000033353463 553925502 /nfs/dbraw/zinc/92/55/02/553925502.db2.gz FMPYQURAUHEEPG-VIYYDIFJSA-N 0 0 681.552 4.848 50 10 KJCARN COc1ccc(/C=C2\SC(N3CCN(C(=O)CCCN4C(=O)/C(=C/c5cccs5)SC4=S)CC3)=NC2=O)cc1 ZINC000033353520 553925622 /nfs/dbraw/zinc/92/56/22/553925622.db2.gz XUWPUDFAWGNXLC-QLBLWQCWSA-N 0 0 598.797 4.553 50 10 KJCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000033353620 553926188 /nfs/dbraw/zinc/92/61/88/553926188.db2.gz DMEOCRWSVRSBBJ-OYKKKHCWSA-N 0 0 541.025 4.593 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000033354226 553928972 /nfs/dbraw/zinc/92/89/72/553928972.db2.gz MXNJZNTYXRKCIT-ONAIEWRJSA-N 0 0 533.031 4.700 50 10 KJCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc([N+](=O)[O-])ccc5OC)c(C)c43)CC2)cc1 ZINC000033354329 553929209 /nfs/dbraw/zinc/92/92/09/553929209.db2.gz OQNASLGTMPIDDV-UHFFFAOYSA-N 0 0 534.598 4.504 50 10 KJCARN Cc1[nH]c2ccc(Br)cc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000033354930 553932118 /nfs/dbraw/zinc/93/21/18/553932118.db2.gz MYOJHWMUNXQSDT-UHFFFAOYSA-N 0 0 532.350 4.895 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000033355372 553934501 /nfs/dbraw/zinc/93/45/01/553934501.db2.gz AHYRATQCEWOGTP-QTTRZTASSA-N 0 0 606.542 4.977 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000033355374 553934489 /nfs/dbraw/zinc/93/44/89/553934489.db2.gz AHYRATQCEWOGTP-QPJBPQEWSA-N 0 0 606.542 4.977 50 10 KJCARN N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033355439 553934715 /nfs/dbraw/zinc/93/47/15/553934715.db2.gz NPVFPCMFSRJMFE-RSPUHVBCSA-N 0 0 532.559 4.667 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000033355527 553935255 /nfs/dbraw/zinc/93/52/55/553935255.db2.gz SYCGGISILDZIRC-LPYMAVHISA-N 0 0 547.570 4.595 50 10 KJCARN O=C1/C(=C\c2c(=O)n3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)SC(=S)N1Cc1ccco1 ZINC000033355604 553935727 /nfs/dbraw/zinc/93/57/27/553935727.db2.gz PVWNQARRUSIUMG-CJLVFECKSA-N 0 0 564.092 4.669 50 10 KJCARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000033356120 553939327 /nfs/dbraw/zinc/93/93/27/553939327.db2.gz HCDRXAXJBGTVGW-QNBSHATCSA-N 0 0 537.442 4.678 50 10 KJCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)cc3)C(=N)N12 ZINC000033357386 553948009 /nfs/dbraw/zinc/94/80/09/553948009.db2.gz JHQDXVKNECYGSF-YOUSBUAYSA-N 0 0 517.430 4.847 50 10 KJCARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] ZINC000033357387 553948112 /nfs/dbraw/zinc/94/81/12/553948112.db2.gz UNRWLOMFKDSGBB-KPLBSJHVSA-N 0 0 517.976 4.775 50 10 KJCARN CN(c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000033412894 553959252 /nfs/dbraw/zinc/95/92/52/553959252.db2.gz VRCPYMZRPADCGO-RELWKKBWSA-N 0 0 504.681 4.907 50 10 KJCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cnc4ccc(Cl)cn43)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000033467955 553960813 /nfs/dbraw/zinc/96/08/13/553960813.db2.gz FHSZUBHGPICTJZ-QHCPKHFHSA-N 0 0 519.001 4.596 50 10 KJCARN COc1ccc(N2CCN(C(=O)C[C@@H](c3cnc4ccc(Cl)cn43)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000033467956 553960711 /nfs/dbraw/zinc/96/07/11/553960711.db2.gz FHSZUBHGPICTJZ-HSZRJFAPSA-N 0 0 519.001 4.596 50 10 KJCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)ccc1OC(C)C ZINC000033482901 1066484967 /nfs/dbraw/zinc/48/49/67/1066484967.db2.gz YECDAYYNETZZEQ-PCLIKHOPSA-N 0 0 529.666 4.803 50 10 KJCARN CC(C)CNC(=O)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000033498903 553961486 /nfs/dbraw/zinc/96/14/86/553961486.db2.gz HYVQRVNZWYKXDN-FYJGNVAPSA-N 0 0 502.587 4.603 50 10 KJCARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000033592460 553963791 /nfs/dbraw/zinc/96/37/91/553963791.db2.gz AISXWAGQCFICFS-WPWMEQJKSA-N 0 0 519.667 4.639 50 10 KJCARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000033592461 553963787 /nfs/dbraw/zinc/96/37/87/553963787.db2.gz MPCVPYGSPMQUES-YZSQISJMSA-N 0 0 519.667 4.639 50 10 KJCARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000033592462 553963756 /nfs/dbraw/zinc/96/37/56/553963756.db2.gz MLTASBVCUXQNKI-WPWMEQJKSA-N 0 0 519.667 4.639 50 10 KJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000033592464 553963731 /nfs/dbraw/zinc/96/37/31/553963731.db2.gz WEWAZSXMHGSXKJ-PCLIKHOPSA-N 0 0 526.058 4.676 50 10 KJCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000033681027 553967808 /nfs/dbraw/zinc/96/78/08/553967808.db2.gz JQVZNVUIKVQRSL-IBGZPJMESA-N 0 0 512.006 4.777 50 10 KJCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000033681028 553967913 /nfs/dbraw/zinc/96/79/13/553967913.db2.gz JQVZNVUIKVQRSL-LJQANCHMSA-N 0 0 512.006 4.777 50 10 KJCARN COc1ccc([C@@H]2NC(=S)N[C@]34Oc5c(O)c(O)ccc5[C@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 ZINC000033699197 553968795 /nfs/dbraw/zinc/96/87/95/553968795.db2.gz ISPSPYAXVKKUQA-XPJOPHPYSA-N 0 0 518.635 4.971 50 10 KJCARN O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)SC(=S)N1c1ccccc1 ZINC000033737950 553971303 /nfs/dbraw/zinc/97/13/03/553971303.db2.gz WQBSUZQMLRZXLY-HYARGMPZSA-N 0 0 511.602 4.631 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NCc3ccco3)nc12 ZINC000033927081 553976802 /nfs/dbraw/zinc/97/68/02/553976802.db2.gz VLUWSQRYENVRLX-RCCKNPSSSA-N 0 0 502.621 4.652 50 10 KJCARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000033933602 553977398 /nfs/dbraw/zinc/97/73/98/553977398.db2.gz XQRMMMHCZYYYPB-PVHODMMVSA-N 0 0 509.558 4.700 50 10 KJCARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000033933603 553977422 /nfs/dbraw/zinc/97/74/22/553977422.db2.gz XQRMMMHCZYYYPB-PFBJBMPXSA-N 0 0 509.558 4.700 50 10 KJCARN COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000035058115 554033924 /nfs/dbraw/zinc/03/39/24/554033924.db2.gz WJSNUPDLXKQFTB-XRMYCEMGSA-N 0 0 514.357 4.542 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cc(C)ccc4nc3N3CCC(C)CC3)SC2=S)cc1 ZINC000035240007 554042229 /nfs/dbraw/zinc/04/22/29/554042229.db2.gz IODPSUHSALLOQR-HYARGMPZSA-N 0 0 504.681 4.949 50 10 KJCARN C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035333767 554043635 /nfs/dbraw/zinc/04/36/35/554043635.db2.gz WYCFEWFCBGCYAD-XMHGGMMESA-N 0 0 516.505 4.566 50 10 KJCARN COc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C/c3ccc(N(C)C)cc3)CCC2)cc(OC)c1OC ZINC000035374604 554045361 /nfs/dbraw/zinc/04/53/61/554045361.db2.gz ZCQLDWFUUYNVRY-HEHNFIMWSA-N 0 0 507.631 4.571 50 10 KJCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035960537 554108582 /nfs/dbraw/zinc/10/85/82/554108582.db2.gz AFJDTJXYKNXNLD-DEOSSOPVSA-N 0 0 512.532 4.510 50 10 KJCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035960538 554108585 /nfs/dbraw/zinc/10/85/85/554108585.db2.gz AFJDTJXYKNXNLD-XMMPIXPASA-N 0 0 512.532 4.510 50 10 KJCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000035962099 554110870 /nfs/dbraw/zinc/11/08/70/554110870.db2.gz PTRQNIDVRMHFDD-DEOSSOPVSA-N 0 0 513.425 4.798 50 10 KJCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000035962100 554110853 /nfs/dbraw/zinc/11/08/53/554110853.db2.gz PTRQNIDVRMHFDD-XMMPIXPASA-N 0 0 513.425 4.798 50 10 KJCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)CC)c1 ZINC000036009271 554132501 /nfs/dbraw/zinc/13/25/01/554132501.db2.gz BMVVOFMICJTEDI-NRFANRHFSA-N 0 0 509.068 4.736 50 10 KJCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)CC)c1 ZINC000036009273 554132567 /nfs/dbraw/zinc/13/25/67/554132567.db2.gz BMVVOFMICJTEDI-OAQYLSRUSA-N 0 0 509.068 4.736 50 10 KJCARN CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000036028530 554141859 /nfs/dbraw/zinc/14/18/59/554141859.db2.gz OPJOUCPMSWSJSR-UHFFFAOYSA-N 0 0 509.676 4.645 50 10 KJCARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NCC(C)C)c4)n3)CC2)cc1 ZINC000036053859 554158807 /nfs/dbraw/zinc/15/88/07/554158807.db2.gz OEGZDCNPSAGJPZ-UHFFFAOYSA-N 0 0 505.688 4.798 50 10 KJCARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NCc5ccco5)c4)n3)CC2)cc1 ZINC000036053861 554158656 /nfs/dbraw/zinc/15/86/56/554158656.db2.gz ZQVSTVBRLBIRCZ-UHFFFAOYSA-N 0 0 529.666 4.936 50 10 KJCARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)N5CCCC5)c4)n3)CC2)cc1 ZINC000036053869 554158774 /nfs/dbraw/zinc/15/87/74/554158774.db2.gz NGZJVQCAAYYXEC-UHFFFAOYSA-N 0 0 503.672 4.649 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000036053901 554159023 /nfs/dbraw/zinc/15/90/23/554159023.db2.gz IDKYUYJTHORGFR-UHFFFAOYSA-N 0 0 535.714 4.636 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCC5CC5)c4)nc(C)c3C)CC2)cc1 ZINC000036064115 554162905 /nfs/dbraw/zinc/16/29/05/554162905.db2.gz FNHCBYGNKYEKCI-UHFFFAOYSA-N 0 0 517.699 4.861 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N5CCCC5)c4)nc(C)c3C)CC2)cc1 ZINC000036064116 554162834 /nfs/dbraw/zinc/16/28/34/554162834.db2.gz WCWPGYLTAXFFSF-UHFFFAOYSA-N 0 0 517.699 4.957 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC(C)C)cc4)nc(C)c3C)CC2)cc1 ZINC000036064157 554163204 /nfs/dbraw/zinc/16/32/04/554163204.db2.gz KHNCTNKPZHIATR-UHFFFAOYSA-N 0 0 505.688 4.859 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC5CC5)cc4)nc(C)c3C)CC2)cc1 ZINC000036064158 554163209 /nfs/dbraw/zinc/16/32/09/554163209.db2.gz SAWQZYKGRQZSQK-UHFFFAOYSA-N 0 0 503.672 4.613 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NCC5CC5)cc4)nc(C)c3C)CC2)cc1 ZINC000036064160 554163229 /nfs/dbraw/zinc/16/32/29/554163229.db2.gz RLYJTFCGZJQXOT-UHFFFAOYSA-N 0 0 517.699 4.861 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CCCC5)cc4)nc(C)c3C)CC2)cc1 ZINC000036064161 554163255 /nfs/dbraw/zinc/16/32/55/554163255.db2.gz POBUQNVNBWTHIR-UHFFFAOYSA-N 0 0 517.699 4.957 50 10 KJCARN CCN(C)C(=O)c1ccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000036064163 554163262 /nfs/dbraw/zinc/16/32/62/554163262.db2.gz PTHXCFBUSGDYOE-UHFFFAOYSA-N 0 0 505.688 4.813 50 10 KJCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c(OS(C)(=O)=O)c1 ZINC000037422955 554243491 /nfs/dbraw/zinc/24/34/91/554243491.db2.gz XAHZZBQDHKNPDN-UHFFFAOYSA-N 0 0 502.583 4.992 50 10 KJCARN CCN(CC)c1ccc(CN(CCOC)C(=O)CC(C)(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423052 554243503 /nfs/dbraw/zinc/24/35/03/554243503.db2.gz LZZNUCCXORMHQX-UHFFFAOYSA-N 0 0 520.692 4.720 50 10 KJCARN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037423109 554243497 /nfs/dbraw/zinc/24/34/97/554243497.db2.gz NCRKVGMTKAGVJE-UHFFFAOYSA-N 0 0 515.676 4.796 50 10 KJCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)NC(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423636 554243715 /nfs/dbraw/zinc/24/37/15/554243715.db2.gz OWJLQFUMVPQQEA-UHFFFAOYSA-N 0 0 505.681 4.885 50 10 KJCARN CCN(CC)c1ccc(CN(C(=O)c2ccco2)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423657 554243732 /nfs/dbraw/zinc/24/37/32/554243732.db2.gz CJJLXYNULJPTKW-UHFFFAOYSA-N 0 0 500.617 4.953 50 10 KJCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037423726 554243753 /nfs/dbraw/zinc/24/37/53/554243753.db2.gz DNOCOTGFYQTTIB-UHFFFAOYSA-N 0 0 513.660 4.550 50 10 KJCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c(OS(C)(=O)=O)c1 ZINC000037423796 554243961 /nfs/dbraw/zinc/24/39/61/554243961.db2.gz RJXCPDREUPCCPY-UHFFFAOYSA-N 0 0 502.583 4.992 50 10 KJCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(C)=O)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037424002 554243894 /nfs/dbraw/zinc/24/38/94/554243894.db2.gz OXKVEEDMFYVWPZ-UHFFFAOYSA-N 0 0 514.619 4.997 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3CCC(C)CC3)SC2=S)cc1 ZINC000039716384 554279538 /nfs/dbraw/zinc/27/95/38/554279538.db2.gz HTHYVWNCRMFROZ-PXLXIMEGSA-N 0 0 504.681 4.949 50 10 KJCARN COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000040221177 554283235 /nfs/dbraw/zinc/28/32/35/554283235.db2.gz BDOTVZCXDHQERE-QNGOZBTKSA-N 0 0 501.589 4.897 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000040221181 554283247 /nfs/dbraw/zinc/28/32/47/554283247.db2.gz SBARVLZKWRIFMX-JIHKLPAASA-N 0 0 500.001 4.520 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000040221184 554283114 /nfs/dbraw/zinc/28/31/14/554283114.db2.gz SBARVLZKWRIFMX-UWCCDQBKSA-N 0 0 500.001 4.520 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccccc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000040221223 554283119 /nfs/dbraw/zinc/28/31/19/554283119.db2.gz HGDISXRSEUCRCS-BKUYFWCQSA-N 0 0 515.572 4.617 50 10 KJCARN O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc([O-])c(C[NH+]3CCN(c4ccccn4)CC3)c2o1 ZINC000041585935 554296444 /nfs/dbraw/zinc/29/64/44/554296444.db2.gz CYDCXVZZCQJBRM-UHFFFAOYSA-N 0 0 515.953 4.643 50 10 KJCARN C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000043100810 554297533 /nfs/dbraw/zinc/29/75/33/554297533.db2.gz XDAOLTSRNUSPPH-XMMPIXPASA-N 0 0 534.491 4.968 50 10 world KJCARN CCOc1cc(/C=C2\C(=O)N=C3SC=C(C)N3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000049669454 554324413 /nfs/dbraw/zinc/32/44/13/554324413.db2.gz GYDPUDJATSHJCZ-DTNFBPRUSA-N 0 0 506.584 4.668 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000049745904 554324796 /nfs/dbraw/zinc/32/47/96/554324796.db2.gz HRUKQWZSTRBJFS-VFHVDCSJSA-N 0 0 529.416 4.945 50 10 KJCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000057015917 554352132 /nfs/dbraw/zinc/35/21/32/554352132.db2.gz JWWSIDBFOPYJAT-UUOWRZLLSA-N 0 0 506.093 4.640 50 10 KJCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000057015919 554352030 /nfs/dbraw/zinc/35/20/30/554352030.db2.gz JWWSIDBFOPYJAT-KOSHJBKYSA-N 0 0 506.093 4.640 50 10 KJCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000057015921 554351905 /nfs/dbraw/zinc/35/19/05/554351905.db2.gz JWWSIDBFOPYJAT-MHECFPHRSA-N 0 0 506.093 4.640 50 10 KJCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000057015923 554352048 /nfs/dbraw/zinc/35/20/48/554352048.db2.gz JWWSIDBFOPYJAT-HOYKHHGWSA-N 0 0 506.093 4.640 50 10 KJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=N)S1 ZINC000059222160 554385876 /nfs/dbraw/zinc/38/58/76/554385876.db2.gz SVVKIPVRAYXTFC-CYPXAJCBSA-N 0 0 547.456 4.944 50 10 KJCARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059522631 554403715 /nfs/dbraw/zinc/40/37/15/554403715.db2.gz NGLZWFFTQOCSOE-FIRIVFDPSA-N 0 0 555.675 4.678 50 10 KJCARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059522632 554403738 /nfs/dbraw/zinc/40/37/38/554403738.db2.gz NGLZWFFTQOCSOE-JSOSNVBQSA-N 0 0 555.675 4.678 50 10 KJCARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059522634 554403762 /nfs/dbraw/zinc/40/37/62/554403762.db2.gz NGLZWFFTQOCSOE-IOWSJCHKSA-N 0 0 555.675 4.678 50 10 KJCARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059522638 554403723 /nfs/dbraw/zinc/40/37/23/554403723.db2.gz NGLZWFFTQOCSOE-CONSDPRKSA-N 0 0 555.675 4.678 50 10 KJCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc(OC)c(OC)c(OC)c5)c(C)c43)CC2)cc1 ZINC000059523168 554404523 /nfs/dbraw/zinc/40/45/23/554404523.db2.gz RHMGSZKGSWJIFP-UHFFFAOYSA-N 0 0 549.653 4.613 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(NC(=O)c4ccc(F)cc4)c3)CC2)cc1 ZINC000059524140 554405385 /nfs/dbraw/zinc/40/53/85/554405385.db2.gz RTKYBNUDNICQEN-SQHAQQRYSA-N 0 0 621.713 4.834 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059612664 554412699 /nfs/dbraw/zinc/41/26/99/554412699.db2.gz LPPWKRXROKOJPB-UHFFFAOYSA-N 0 0 548.492 4.855 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000059620366 554413572 /nfs/dbraw/zinc/41/35/72/554413572.db2.gz FONCCFAGLSWOPZ-UHFFFAOYSA-N 0 0 548.492 4.855 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059626577 554414807 /nfs/dbraw/zinc/41/48/07/554414807.db2.gz RIVFLAFTCLXINE-UHFFFAOYSA-N 0 0 534.465 4.546 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059646499 554417396 /nfs/dbraw/zinc/41/73/96/554417396.db2.gz WIYUAHUKQLRMIB-UHFFFAOYSA-N 0 0 534.465 4.546 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059652183 554419546 /nfs/dbraw/zinc/41/95/46/554419546.db2.gz OBWGKHSWXHYMPH-UHFFFAOYSA-N 0 0 568.017 4.912 50 10 KJCARN COc1ccc(N2CCN(C(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059652514 554419798 /nfs/dbraw/zinc/41/97/98/554419798.db2.gz WTTWYFXHLJHDPT-UHFFFAOYSA-N 0 0 568.017 4.912 50 10 KJCARN C[C@@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000059699423 554425764 /nfs/dbraw/zinc/42/57/64/554425764.db2.gz XDAOLTSRNUSPPH-DEOSSOPVSA-N 0 0 534.491 4.968 50 10 KJCARN CCCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1)C(Cl)(Cl)Cl ZINC000059821239 554431294 /nfs/dbraw/zinc/43/12/94/554431294.db2.gz UFELZIAMOSAEKU-WTQUMQLASA-N 0 0 525.907 4.916 50 10 KJCARN CCCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1)C(Cl)(Cl)Cl ZINC000059821243 554431308 /nfs/dbraw/zinc/43/13/08/554431308.db2.gz UFELZIAMOSAEKU-NZHZHZHDSA-N 0 0 525.907 4.916 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 ZINC000059821343 554431354 /nfs/dbraw/zinc/43/13/54/554431354.db2.gz MHSAWYHDVXZACC-ODENVGOISA-N 0 0 530.679 4.664 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 ZINC000059821347 554431379 /nfs/dbraw/zinc/43/13/79/554431379.db2.gz MHSAWYHDVXZACC-OSEFQUDUSA-N 0 0 530.679 4.664 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1OC ZINC000059821825 554431489 /nfs/dbraw/zinc/43/14/89/554431489.db2.gz QKDKMWCSBFZULM-LDADJPATSA-N 0 0 526.558 4.961 50 10 KJCARN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 ZINC000059824034 554431465 /nfs/dbraw/zinc/43/14/65/554431465.db2.gz GSSNPVPOAMHNTI-MOSHPQCFSA-N 0 0 527.986 4.619 50 10 KJCARN Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(O)c(O)c(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000059826656 554432345 /nfs/dbraw/zinc/43/23/45/554432345.db2.gz LHMIDIYDYBGTSJ-UHFFFAOYSA-N 0 0 575.463 4.636 50 10 KJCARN CC[C@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000060392778 554505558 /nfs/dbraw/zinc/50/55/58/554505558.db2.gz RAGOYPUPXAKGKH-XTDQBOBXSA-N 0 0 700.791 4.573 50 10 KJCARN CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000063766941 554510449 /nfs/dbraw/zinc/51/04/49/554510449.db2.gz RMFBHSJMKKLQMX-ZSOIEALJSA-N 0 0 513.266 4.689 50 10 KJCARN CN(C)c1ccc(CNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)cc1 ZINC000064703958 554514407 /nfs/dbraw/zinc/51/44/07/554514407.db2.gz QUEFJURILFKFMC-UHFFFAOYSA-N 0 0 509.655 4.626 50 10 KJCARN Cc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccc(N(C)C)cc4)nn3c2NC(C)(C)C)cc1 ZINC000064704154 554514566 /nfs/dbraw/zinc/51/45/66/554514566.db2.gz YIWNCTGUVCLGGT-UHFFFAOYSA-N 0 0 505.692 4.795 50 10 KJCARN COC(=O)C1=CN(c2ccc(OCc3ccccc3)cc2)c2cc(Br)ccc2S1(=O)=O ZINC000064979273 554523289 /nfs/dbraw/zinc/52/32/89/554523289.db2.gz UEHQUFVWHYINOV-UHFFFAOYSA-N 0 0 500.370 4.968 50 10 KJCARN COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000070687961 553607779 /nfs/dbraw/zinc/60/77/79/553607779.db2.gz KEZTYXUHQZMREF-PKTNWEFCSA-N 0 0 537.568 4.652 50 10 biogenic KJCARN COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000070687965 553607726 /nfs/dbraw/zinc/60/77/26/553607726.db2.gz KEZTYXUHQZMREF-KCHLEUMXSA-N 0 0 537.568 4.652 50 10 biogenic KJCARN COc1ccc(N2CCN(C(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)CC2)cc1 ZINC000079188252 553666742 /nfs/dbraw/zinc/66/67/42/553666742.db2.gz VFIVHNCRWMNYMI-UMDUTULISA-N 0 0 582.826 4.722 50 10 biogenic KJCARN CCC(CC)CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000082087312 553673816 /nfs/dbraw/zinc/67/38/16/553673816.db2.gz OPZJZNGEVITCEL-JCMHNJIXSA-N 0 0 504.681 4.895 50 10 KJCARN CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1c(O)c(C(=O)NCc2ccccc2)cc2ccccc21 ZINC000095464597 553701093 /nfs/dbraw/zinc/70/10/93/553701093.db2.gz MBEKJPORTQEUKF-UHFFFAOYSA-N 0 0 500.620 4.832 50 10 KJCARN CS(=O)(=O)c1cccc2c1CCCN2Cc1c(O)c(C(=O)NCc2ccccc2)cc2ccccc21 ZINC000095464598 553701017 /nfs/dbraw/zinc/70/10/17/553701017.db2.gz MZXHHUFXTBGGFF-UHFFFAOYSA-N 0 0 500.620 4.832 50 10 KJCARN CS(=O)(=O)c1ccc2c(c1)N(Cc1c(O)c(C(=O)NCc3ccccc3)cc3ccccc31)CCC2 ZINC000095464599 553701069 /nfs/dbraw/zinc/70/10/69/553701069.db2.gz ZDNFQBGAEDAODL-UHFFFAOYSA-N 0 0 500.620 4.832 50 10 KJCARN CCOc1cc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O ZINC000095660889 553706721 /nfs/dbraw/zinc/70/67/21/553706721.db2.gz VQIRFOAILLIZOY-BYYHNAKLSA-N 0 0 639.416 4.971 50 10 KJCARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 ZINC000095945524 553715638 /nfs/dbraw/zinc/71/56/38/553715638.db2.gz LQKOTMSYJQLBKY-DEOSSOPVSA-N 0 0 519.598 4.787 50 10 KJCARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 ZINC000095945525 553715636 /nfs/dbraw/zinc/71/56/36/553715636.db2.gz LQKOTMSYJQLBKY-XMMPIXPASA-N 0 0 519.598 4.787 50 10 KJCARN CCOCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000096022194 553720038 /nfs/dbraw/zinc/72/00/38/553720038.db2.gz NXJXNVAZESKYDJ-HIXSDJFHSA-N 0 0 548.734 4.781 50 10 KJCARN CCOCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000096022195 553720147 /nfs/dbraw/zinc/72/01/47/553720147.db2.gz NXJXNVAZESKYDJ-GFMRDNFCSA-N 0 0 548.734 4.781 50 10 KJCARN CCN(CC)c1ccc(CN(C(=O)COC)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288720 553740582 /nfs/dbraw/zinc/74/05/82/553740582.db2.gz DSKJYCPWNCTABA-UHFFFAOYSA-N 0 0 515.459 4.745 50 10 KJCARN CCN(CC)c1ccc(CN(CCOC)C(=O)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290274 553743139 /nfs/dbraw/zinc/74/31/39/553743139.db2.gz VQPOPHBORKNRTP-UHFFFAOYSA-N 0 0 530.609 4.950 50 10 KJCARN CCN(CC)c1ccc(CN(CCOC)C(C)=O)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096290279 553743332 /nfs/dbraw/zinc/74/33/32/553743332.db2.gz DGFHVAANHYBMRY-UHFFFAOYSA-N 0 0 503.448 4.602 50 10 KJCARN CCN(CC)c1ccc(CN(C(=O)COC)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290285 553743415 /nfs/dbraw/zinc/74/34/15/553743415.db2.gz PQEIGFLSGSNVCP-UHFFFAOYSA-N 0 0 516.582 4.703 50 10 KJCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290288 553743393 /nfs/dbraw/zinc/74/33/93/553743393.db2.gz JSBIUUXYMLQICL-QFIPXVFZSA-N 0 0 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KJCARN CCN(CC)c1ccc(CN(C(=O)COC)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294078 553747314 /nfs/dbraw/zinc/74/73/14/553747314.db2.gz GXNRDIXSWGPYEC-UHFFFAOYSA-N 0 0 517.475 4.991 50 10 KJCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)COC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294647 553748137 /nfs/dbraw/zinc/74/81/37/553748137.db2.gz CGFQFTDMPXANDG-UHFFFAOYSA-N 0 0 529.486 4.992 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000096316586 553749353 /nfs/dbraw/zinc/74/93/53/553749353.db2.gz QGULSHDXKFCOIL-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000096316587 553749382 /nfs/dbraw/zinc/74/93/82/553749382.db2.gz QGULSHDXKFCOIL-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@H]23)cc1 ZINC000096318801 553751555 /nfs/dbraw/zinc/75/15/55/553751555.db2.gz JJFVBYQYOZEZDB-FKBYEOEOSA-N 0 0 505.448 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4.952 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NC4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC ZINC000097947217 553784733 /nfs/dbraw/zinc/78/47/33/553784733.db2.gz WXVJIGQXHCPLEA-HAHDFKILSA-N 0 0 550.706 4.819 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000097947231 553784721 /nfs/dbraw/zinc/78/47/21/553784721.db2.gz BMGLSCPRZTZTDQ-QJOMJCCJSA-N 0 0 552.722 4.682 50 10 KJCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947232 553784668 /nfs/dbraw/zinc/78/46/68/553784668.db2.gz IENBJEMRUADEFL-NMWGTECJSA-N 0 0 551.713 4.942 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1Cc1ccccc1 ZINC000097947234 553784726 /nfs/dbraw/zinc/78/47/26/553784726.db2.gz CMIIZXYBYKOIOW-MOHJPFBDSA-N 0 0 557.676 4.562 50 10 KJCARN CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000097947235 553784665 /nfs/dbraw/zinc/78/46/65/553784665.db2.gz JRAYEOXLLFNURN-NKFKGCMQSA-N 0 0 552.722 4.782 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000097947279 553785141 /nfs/dbraw/zinc/78/51/41/553785141.db2.gz BFRJPNXJGOOBMI-QJOMJCCJSA-N 0 0 549.697 4.612 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947281 553785224 /nfs/dbraw/zinc/78/52/24/553785224.db2.gz VJZFAKONGPIXJR-NKFKGCMQSA-N 0 0 551.713 4.860 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 ZINC000097947292 553785173 /nfs/dbraw/zinc/78/51/73/553785173.db2.gz UEPIUTLTLIGOIG-KQWNVCNZSA-N 0 0 552.722 4.682 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947298 553785243 /nfs/dbraw/zinc/78/52/43/553785243.db2.gz ZSZBLWWOLSOCNR-QJOMJCCJSA-N 0 0 551.713 4.860 50 10 KJCARN COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097947376 553785816 /nfs/dbraw/zinc/78/58/16/553785816.db2.gz WBXKKCSBDWJUQM-XKZIYDEJSA-N 0 0 545.598 4.626 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097947391 553785784 /nfs/dbraw/zinc/78/57/84/553785784.db2.gz MNGHZGJAVOBTFV-JIHKLPAASA-N 0 0 544.452 4.630 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000097947392 553785801 /nfs/dbraw/zinc/78/58/01/553785801.db2.gz MNGHZGJAVOBTFV-UWCCDQBKSA-N 0 0 544.452 4.630 50 10 KJCARN Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097947395 553786057 /nfs/dbraw/zinc/78/60/57/553786057.db2.gz MQAPUNPSAKDJJW-XKZIYDEJSA-N 0 0 529.599 4.925 50 10 KJCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(C)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097947396 553786063 /nfs/dbraw/zinc/78/60/63/553786063.db2.gz YLATUQBRCMUVEA-QJOMJCCJSA-N 0 0 581.679 4.999 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000097947412 553785991 /nfs/dbraw/zinc/78/59/91/553785991.db2.gz LUPCPCLMEGTGJN-FDJRJZQMSA-N 0 0 572.712 4.601 50 10 KJCARN COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 ZINC000097947413 553786045 /nfs/dbraw/zinc/78/60/45/553786045.db2.gz LUPCPCLMEGTGJN-KRFWEUHSSA-N 0 0 572.712 4.601 50 10 KJCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccccc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097947416 553786051 /nfs/dbraw/zinc/78/60/51/553786051.db2.gz CDMBXHHACOHBAM-QJOMJCCJSA-N 0 0 581.679 4.999 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000097947511 553786826 /nfs/dbraw/zinc/78/68/26/553786826.db2.gz PNWYJQFRUUGNDM-MOHJPFBDSA-N 0 0 563.749 4.730 50 10 KJCARN CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000097947679 553788138 /nfs/dbraw/zinc/78/81/38/553788138.db2.gz VHASZGVAJRGZDE-JCMHNJIXSA-N 0 0 583.135 4.837 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3OC)CC2)SC1=S ZINC000097947684 553788071 /nfs/dbraw/zinc/78/80/71/553788071.db2.gz MCSWDIMHFHWWAR-MOHJPFBDSA-N 0 0 563.749 4.730 50 10 KJCARN CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000097947688 553788162 /nfs/dbraw/zinc/78/81/62/553788162.db2.gz CITWJINSBRTLID-QNGOZBTKSA-N 0 0 569.108 4.529 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000097947729 553788628 /nfs/dbraw/zinc/78/86/28/553788628.db2.gz QOIPSIJGALPDHN-QJOMJCCJSA-N 0 0 551.713 4.716 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947730 553788679 /nfs/dbraw/zinc/78/86/79/553788679.db2.gz SMYQWPRBLXHEQL-NKFKGCMQSA-N 0 0 551.713 4.860 50 10 KJCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947737 553788619 /nfs/dbraw/zinc/78/86/19/553788619.db2.gz RVQBHTQWEAMIDN-NMWGTECJSA-N 0 0 551.713 4.942 50 10 KJCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947739 553788668 /nfs/dbraw/zinc/78/86/68/553788668.db2.gz FNGLFZDAGHDABR-QJOMJCCJSA-N 0 0 551.713 4.860 50 10 KJCARN Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 ZINC000097947740 553788584 /nfs/dbraw/zinc/78/85/84/553788584.db2.gz ANBDOEJXKUCZGK-KQWNVCNZSA-N 0 0 551.713 4.716 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000097949763 553803106 /nfs/dbraw/zinc/80/31/06/553803106.db2.gz ZRPGTTSPJMYSLQ-VJBWXMMDSA-N 0 0 530.374 4.707 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)c3ccncc3)C(C)(C)C2=S)S1 ZINC000097950999 553806494 /nfs/dbraw/zinc/80/64/94/553806494.db2.gz LRKPZZLNONLGRR-UHFFFAOYSA-N 0 0 526.661 4.905 50 10 KJCARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000097954750 553825352 /nfs/dbraw/zinc/82/53/52/553825352.db2.gz YNSPZAUKPYUQCP-QHAWAJNXSA-N 0 0 544.199 4.968 50 10 KJCARN O=C1Nc2ccccc2[C@@]12N1CSC[C@H]1[C@@H](c1ccccc1)[C@]21SC(=S)N(Cc2ccccc2)C1=O ZINC000097956493 553839416 /nfs/dbraw/zinc/83/94/16/553839416.db2.gz ZPYXYRMKOZRZHF-CCXYNAMNSA-N 0 0 529.712 4.806 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097957656 553847438 /nfs/dbraw/zinc/84/74/38/553847438.db2.gz FANKWEAKXOCBGT-KQWNVCNZSA-N 0 0 578.119 4.977 50 10 KJCARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000097957730 553847768 /nfs/dbraw/zinc/84/77/68/553847768.db2.gz DROJTSIABUKDOY-ASZNLBCTSA-N 0 0 541.673 4.603 50 10 KJCARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000097957731 553847719 /nfs/dbraw/zinc/84/77/19/553847719.db2.gz DROJTSIABUKDOY-YNMQQHPQSA-N 0 0 541.673 4.603 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097957817 553848442 /nfs/dbraw/zinc/84/84/42/553848442.db2.gz SNSLFQXCFGDDTG-WLNNWNTISA-N 0 0 563.455 4.563 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000097957857 553848984 /nfs/dbraw/zinc/84/89/84/553848984.db2.gz GNHHMNPTVDHMSN-UXMLFEQVSA-N 0 0 529.416 4.945 50 10 KJCARN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 ZINC000097957860 553849150 /nfs/dbraw/zinc/84/91/50/553849150.db2.gz XCRGQXUONKPDEG-JNTYBJLZSA-N 0 0 547.456 4.800 50 10 KJCARN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OC ZINC000097958054 553850855 /nfs/dbraw/zinc/85/08/55/553850855.db2.gz XJXHGIBLMHUQOG-NRKQKUOFSA-N 0 0 558.616 4.860 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000097958079 553851095 /nfs/dbraw/zinc/85/10/95/553851095.db2.gz CGBGUWPXSAKVOT-UXAZKMGBSA-N 0 0 544.076 4.655 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000097958080 553851114 /nfs/dbraw/zinc/85/11/14/553851114.db2.gz CGBGUWPXSAKVOT-HCWVEKLQSA-N 0 0 544.076 4.655 50 10 KJCARN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 ZINC000097958168 553851753 /nfs/dbraw/zinc/85/17/53/553851753.db2.gz HHVFEBWDYHSTEU-IWIPYMOSSA-N 0 0 606.031 4.550 50 10 KJCARN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 ZINC000097958524 553855582 /nfs/dbraw/zinc/85/55/82/553855582.db2.gz MXRJBOGXMQBYNN-FDLDKBQRSA-N 0 0 518.576 4.674 50 10 KJCARN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 ZINC000097958666 553856796 /nfs/dbraw/zinc/85/67/96/553856796.db2.gz FKPANLRFGWCBDY-HMAPJEAMSA-N 0 0 626.449 4.895 50 10 KJCARN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)c1 ZINC000097958719 553857082 /nfs/dbraw/zinc/85/70/82/553857082.db2.gz UGIVKBNAEAWLRC-PSKBPPSXSA-N 0 0 558.616 4.860 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097958783 553857774 /nfs/dbraw/zinc/85/77/74/553857774.db2.gz ACAHNNUSALZJLW-TVRHKFALSA-N 0 0 577.482 4.953 50 10 KJCARN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000097959075 553860371 /nfs/dbraw/zinc/86/03/71/553860371.db2.gz IBOZSAVLAZWHDY-GGLRMMABSA-N 0 0 528.590 4.829 50 10 KJCARN COc1ccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 ZINC000097959259 553862270 /nfs/dbraw/zinc/86/22/70/553862270.db2.gz OTDZRGLCILFJPM-ZMXGXFJXSA-N 0 0 545.415 4.563 50 10 KJCARN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000097960491 553871926 /nfs/dbraw/zinc/87/19/26/553871926.db2.gz XOZSWZXJORMZDG-UCQKPKSFSA-N 0 0 547.995 4.682 50 10 KJCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(I)cc(I)c1OCc1ccccc1 ZINC000097960796 553873303 /nfs/dbraw/zinc/87/33/03/553873303.db2.gz XSUWTBFIFZMTBP-WOJGMQOQSA-N 0 0 632.261 4.777 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000097961856 553881143 /nfs/dbraw/zinc/88/11/43/553881143.db2.gz NZQZHHJIEPDBET-BUVRLJJBSA-N 0 0 547.658 4.876 50 10 KJCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCC ZINC000097962106 553883083 /nfs/dbraw/zinc/88/30/83/553883083.db2.gz FTSFJAJQZQQTSL-SFQUDFHCSA-N 0 0 554.431 4.635 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000097962118 553883029 /nfs/dbraw/zinc/88/30/29/553883029.db2.gz UILKXGYRNRRJNF-HZHRSRAPSA-N 0 0 533.631 4.567 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000097962119 553883102 /nfs/dbraw/zinc/88/31/02/553883102.db2.gz LZWRTJRYLZRNPX-HZHRSRAPSA-N 0 0 533.631 4.567 50 10 KJCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000097962121 553883107 /nfs/dbraw/zinc/88/31/07/553883107.db2.gz PMAIZMJJSOVVFK-LFVJCYFKSA-N 0 0 563.657 4.658 50 10 KJCARN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000097962149 553883363 /nfs/dbraw/zinc/88/33/63/553883363.db2.gz MPFZUWXKVRXVFA-OQLLNIDSSA-N 0 0 636.274 4.841 50 10 KJCARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c1 ZINC000097962688 553885141 /nfs/dbraw/zinc/88/51/41/553885141.db2.gz ZBGWPCVISCIYMX-BIWBSIMWSA-N 0 0 603.542 4.711 50 10 KJCARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c1 ZINC000097962689 553885134 /nfs/dbraw/zinc/88/51/34/553885134.db2.gz ZBGWPCVISCIYMX-ZGOFBEGVSA-N 0 0 603.542 4.711 50 10 KJCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000097963931 553895361 /nfs/dbraw/zinc/89/53/61/553895361.db2.gz LRKQXDNVRQIONV-UUOWRZLLSA-N 0 0 550.544 4.750 50 10 KJCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000097963932 553895398 /nfs/dbraw/zinc/89/53/98/553895398.db2.gz LRKQXDNVRQIONV-KOSHJBKYSA-N 0 0 550.544 4.750 50 10 KJCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000097963933 553895391 /nfs/dbraw/zinc/89/53/91/553895391.db2.gz LRKQXDNVRQIONV-MHECFPHRSA-N 0 0 550.544 4.750 50 10 KJCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000097963934 553895368 /nfs/dbraw/zinc/89/53/68/553895368.db2.gz LRKQXDNVRQIONV-HOYKHHGWSA-N 0 0 550.544 4.750 50 10 KJCARN CCn1c(=O)c(=C2Sc3ccc(Cl)cc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1ccccc1 ZINC000097964016 553895698 /nfs/dbraw/zinc/89/56/98/553895698.db2.gz IDJTXRPIIUDWHX-YJZCZVOBSA-N 0 0 560.104 4.514 50 10 KJCARN CCn1c(=O)c(=C2Sc3ccccc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1cccc(Br)c1 ZINC000097964019 553895940 /nfs/dbraw/zinc/89/59/40/553895940.db2.gz VJBNFYILMHWWER-YJZCZVOBSA-N 0 0 604.555 4.623 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000097966254 553907844 /nfs/dbraw/zinc/90/78/44/553907844.db2.gz BEGNFHZMORWGBL-MOSHPQCFSA-N 0 0 556.463 4.978 50 10 KJCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000097966493 553909216 /nfs/dbraw/zinc/90/92/16/553909216.db2.gz LMLMNWZJYSJRDL-DQIQZUARSA-N 0 0 664.900 4.857 50 10 KJCARN COc1ccc(S(=O)(=O)N2c3ccccc3/C(=C3/SC(=S)N(Cc4ccc(Cl)cc4)C3=O)C2=O)cc1 ZINC000097968544 553933233 /nfs/dbraw/zinc/93/32/33/553933233.db2.gz APLBSENCNGLFGM-DQRAZIAOSA-N 0 0 557.074 4.856 50 10 KJCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OC ZINC000097968968 553935540 /nfs/dbraw/zinc/93/55/40/553935540.db2.gz MDJMOYSGPDHNGX-HZHRSRAPSA-N 0 0 536.631 4.838 50 10 KJCARN Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)oc2N2CCOCC2)cc1 ZINC000097969280 553938749 /nfs/dbraw/zinc/93/87/49/553938749.db2.gz BMKKSDLNRZIZEK-ZHZULCJRSA-N 0 0 576.121 4.707 50 10 KJCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1C1CCCCC1 ZINC000097971112 553960836 /nfs/dbraw/zinc/96/08/36/553960836.db2.gz JSMOGMWXTBHTBQ-NKFKGCMQSA-N 0 0 549.697 4.694 50 10 KJCARN Cc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCc4ccccc4C3)SC2=S)cc1 ZINC000097971113 553960870 /nfs/dbraw/zinc/96/08/70/553960870.db2.gz AYOOLGGATLQIOB-LFVJCYFKSA-N 0 0 524.671 4.967 50 10 KJCARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097982442 554002501 /nfs/dbraw/zinc/00/25/01/554002501.db2.gz ALUKJXBKPGVJKZ-UHFFFAOYSA-N 0 0 577.688 4.621 50 10 KJCARN Cc1c(C(=S)N=P(N(C)C)(N(C)C)N(C)C)c2ccccn2c1C(=S)N=P(N(C)C)(N(C)C)N(C)C ZINC000097984823 554018590 /nfs/dbraw/zinc/01/85/90/554018590.db2.gz HLZDOOLECIQOOT-UHFFFAOYSA-N 0 0 571.742 4.861 50 10 KJCARN Cc1cc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000097984856 554018890 /nfs/dbraw/zinc/01/88/90/554018890.db2.gz GGUDIUISKWDCFE-UHFFFAOYSA-N 0 0 552.616 4.721 50 10 KJCARN CCCCn1c(=O)c(=C2Sc3ccccc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1ccccc1 ZINC000097990152 554028418 /nfs/dbraw/zinc/02/84/18/554028418.db2.gz BDOYSFVUAXMBBA-STJQTKKMSA-N 0 0 553.713 4.641 50 10 KJCARN CCCCn1c(=O)c(=C2Sc3ccc(OC)cc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1ccccc1 ZINC000097990153 554028557 /nfs/dbraw/zinc/02/85/57/554028557.db2.gz VKEYRUQXPYNSRL-BENVAKDZSA-N 0 0 583.739 4.649 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000097999411 554042909 /nfs/dbraw/zinc/04/29/09/554042909.db2.gz XOBZMWYOEIFBOS-AWEZNQCLSA-N 0 0 638.745 4.581 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000097999412 554042905 /nfs/dbraw/zinc/04/29/05/554042905.db2.gz XOBZMWYOEIFBOS-CQSZACIVSA-N 0 0 638.745 4.581 50 10 KJCARN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000098007436 554064166 /nfs/dbraw/zinc/06/41/66/554064166.db2.gz QVJRDTBWOVHLRN-DOYMOWJKSA-N 0 0 570.092 4.626 50 10 KJCARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000098007437 554064181 /nfs/dbraw/zinc/06/41/81/554064181.db2.gz WLVOUDPLSOEFFG-NGXZDTIWSA-N 0 0 599.488 4.626 50 10 KJCARN CN1C[C@H](c2ccc(Cl)cc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000098007831 554064387 /nfs/dbraw/zinc/06/43/87/554064387.db2.gz DTAIXEYKHUWKQM-NGXZDTIWSA-N 0 0 528.030 4.748 50 10 KJCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000098010788 554074336 /nfs/dbraw/zinc/07/43/36/554074336.db2.gz GTRWDKHSZBPEJU-UHFFFAOYSA-N 0 0 544.645 4.737 50 10 KJCARN CCN(CC)c1ccc(CN(CCOC)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000098010792 554074750 /nfs/dbraw/zinc/07/47/50/554074750.db2.gz INHBFWQKFZYGKX-UHFFFAOYSA-N 0 0 571.696 4.998 50 10 KJCARN COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NCCc5ccccn5)c4)n3)CC2)cc1 ZINC000098015222 554097256 /nfs/dbraw/zinc/09/72/56/554097256.db2.gz KMIALUFVRPGMMQ-UHFFFAOYSA-N 0 0 554.720 4.780 50 10 KJCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015223 554097227 /nfs/dbraw/zinc/09/72/27/554097227.db2.gz NCCIDIVLTGPHNW-AREMUKBSSA-N 0 0 589.762 4.828 50 10 KJCARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015224 554097266 /nfs/dbraw/zinc/09/72/66/554097266.db2.gz NCCIDIVLTGPHNW-SANMLTNESA-N 0 0 589.762 4.828 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)cc2)n1 ZINC000098015249 554097493 /nfs/dbraw/zinc/09/74/93/554097493.db2.gz HSTSQOZJLQIYRQ-UHFFFAOYSA-N 0 0 584.746 4.618 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000098015250 554097518 /nfs/dbraw/zinc/09/75/18/554097518.db2.gz XYBGBQWWZBJCPP-UHFFFAOYSA-N 0 0 559.692 4.774 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 ZINC000098015251 554097531 /nfs/dbraw/zinc/09/75/31/554097531.db2.gz LPKPNUHXOGVOFD-UHFFFAOYSA-N 0 0 613.740 4.909 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)cc2)n1 ZINC000098015252 554097506 /nfs/dbraw/zinc/09/75/06/554097506.db2.gz BJUKTQHNKJXIIV-UHFFFAOYSA-N 0 0 570.719 4.576 50 10 KJCARN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)cc2)CC1 ZINC000098015255 554097516 /nfs/dbraw/zinc/09/75/16/554097516.db2.gz FPBYBPBJQXWHIA-UHFFFAOYSA-N 0 0 619.788 4.666 50 10 KJCARN COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NCc3ccco3)c2)n1 ZINC000098015289 554097814 /nfs/dbraw/zinc/09/78/14/554097814.db2.gz OKNLYKNLTLIIFM-UHFFFAOYSA-N 0 0 559.692 4.774 50 10 KJCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015292 554097761 /nfs/dbraw/zinc/09/77/61/554097761.db2.gz VNNLZUXMTCYARE-AREMUKBSSA-N 0 0 619.788 4.666 50 10 KJCARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015293 554097752 /nfs/dbraw/zinc/09/77/52/554097752.db2.gz VNNLZUXMTCYARE-SANMLTNESA-N 0 0 619.788 4.666 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC[C@@H]5CCCO5)cc4)nc(C)c3C)CC2)cc1 ZINC000098015339 554098104 /nfs/dbraw/zinc/09/81/04/554098104.db2.gz XAWYGYHRVJPECG-MHZLTWQESA-N 0 0 547.725 4.630 50 10 KJCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC[C@H]5CCCO5)cc4)nc(C)c3C)CC2)cc1 ZINC000098015340 554098079 /nfs/dbraw/zinc/09/80/79/554098079.db2.gz XAWYGYHRVJPECG-HHHXNRCGSA-N 0 0 547.725 4.630 50 10 KJCARN COCCNC(=O)c1ccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(C)(C)C)n2)cc1 ZINC000098015401 554098683 /nfs/dbraw/zinc/09/86/83/554098683.db2.gz JWXYHEGEEGOYAY-UHFFFAOYSA-N 0 0 549.741 4.778 50 10 KJCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4ccc(C(=O)N5CCN(C(C)=O)CC5)cc4)n3)CC2)cc1 ZINC000098015403 554098822 /nfs/dbraw/zinc/09/88/22/554098822.db2.gz HDVPCRJPTCIQBT-UHFFFAOYSA-N 0 0 602.805 4.706 50 10 KJCARN COCCNC(=O)c1cccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(C)(C)C)n2)c1 ZINC000098015405 554098728 /nfs/dbraw/zinc/09/87/28/554098728.db2.gz IFHXUPZQOAASJO-UHFFFAOYSA-N 0 0 549.741 4.778 50 10 KJCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cnc4ccc(Cl)cn43)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000098020005 554116020 /nfs/dbraw/zinc/11/60/20/554116020.db2.gz WGTYUPNPDFAPDC-SANMLTNESA-N 0 0 535.044 4.884 50 10 KJCARN COc1ccc(N2CCN(C(=O)C[C@@H](c3cnc4ccc(Cl)cn43)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000098020006 554116014 /nfs/dbraw/zinc/11/60/14/554116014.db2.gz WGTYUPNPDFAPDC-AREMUKBSSA-N 0 0 535.044 4.884 50 10 KJCARN O=C(CSc1ccccn1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CSc3ccccn3)cc1C2=O ZINC000098023088 554120281 /nfs/dbraw/zinc/12/02/81/554120281.db2.gz WGAQTWLJXGNPGL-UHFFFAOYSA-N 0 0 540.626 4.714 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000098044819 554130066 /nfs/dbraw/zinc/13/00/66/554130066.db2.gz FIEWIEJPFDPFBY-OAHLLOKOSA-N 0 0 622.746 4.881 50 10 KJCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000098044820 554130038 /nfs/dbraw/zinc/13/00/38/554130038.db2.gz FIEWIEJPFDPFBY-HNNXBMFYSA-N 0 0 622.746 4.881 50 10 KJCARN COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(Cl)c(Cl)c4)ccc3F)CC2)cc1 ZINC000098049746 554168851 /nfs/dbraw/zinc/16/88/51/554168851.db2.gz MHFZIYMBKHGPDN-UHFFFAOYSA-N 0 0 538.428 4.904 50 10 KJCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)CC2)cc1 ZINC000098049750 554168833 /nfs/dbraw/zinc/16/88/33/554168833.db2.gz JFQRIOCWSWQGRY-UHFFFAOYSA-N 0 0 538.428 4.904 50 10 KJCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(Cl)cc4Cl)c3)CC2)cc1 ZINC000098049753 554168787 /nfs/dbraw/zinc/16/87/87/554168787.db2.gz TWMMBYKRXFWNFZ-UHFFFAOYSA-N 0 0 538.428 4.904 50 10 KJCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cc(Cl)cc(Cl)c4)c3)CC2)cc1 ZINC000098049764 554168701 /nfs/dbraw/zinc/16/87/01/554168701.db2.gz UZAQYPFJCRLBSW-UHFFFAOYSA-N 0 0 538.428 4.904 50 10 KJCARN Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2C ZINC000100022123 554182221 /nfs/dbraw/zinc/18/22/21/554182221.db2.gz JFZVZMWQZFHAMS-ZHZULCJRSA-N 0 0 533.369 4.875 50 10 KJCARN CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2CC)c2cc(Br)ccc21 ZINC000100022193 554182196 /nfs/dbraw/zinc/18/21/96/554182196.db2.gz KEVIGGXPIDLZDT-PTNGSMBKSA-N 0 0 550.194 4.691 50 10 KJCARN CCCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2C)c2cc(Br)ccc21 ZINC000100023011 554182774 /nfs/dbraw/zinc/18/27/74/554182774.db2.gz BKANHPBZXOBEBZ-RVDMUPIBSA-N 0 0 550.194 4.598 50 10 KJCARN Cn1c(/C=C2/c3ccccc3N(Cc3ccccc3)C2=O)nc2ccc(I)cc2c1=O ZINC000100023014 554182777 /nfs/dbraw/zinc/18/27/77/554182777.db2.gz ZTSQZXRYVAOQSM-RGEXLXHISA-N 0 0 519.342 4.626 50 10 KJCARN CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 ZINC000100023106 554182757 /nfs/dbraw/zinc/18/27/57/554182757.db2.gz DRSHDZFZCGQGHF-RGEXLXHISA-N 0 0 519.342 4.566 50 10 KJCARN CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 ZINC000100023118 554182798 /nfs/dbraw/zinc/18/27/98/554182798.db2.gz ZXMXABURTXPDGY-HKWRFOASSA-N 0 0 533.369 4.957 50 10 KJCARN Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2 ZINC000100023146 554182793 /nfs/dbraw/zinc/18/27/93/554182793.db2.gz LLTGYYZOVLWYPL-UYRXBGFRSA-N 0 0 519.342 4.851 50 10 KJCARN COC(=O)c1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1 ZINC000100029759 554184296 /nfs/dbraw/zinc/18/42/96/554184296.db2.gz ZTQOVFLDRIAILW-LICLKQGHSA-N 0 0 524.405 4.657 50 10 KJCARN CNS(=O)(=O)c1cc(OC)c(NN=C2c3ccccc3C=C(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C ZINC000100045233 554193216 /nfs/dbraw/zinc/19/32/16/554193216.db2.gz YKGGTUUWVUHZIL-ULIFNZDWSA-N 0 0 560.592 4.608 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100068091 554200379 /nfs/dbraw/zinc/20/03/79/554200379.db2.gz IAJCLZFOJNDCHO-KMBIYUNPSA-N 0 0 577.062 4.767 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100068094 554200301 /nfs/dbraw/zinc/20/03/01/554200301.db2.gz IAJCLZFOJNDCHO-GVMLUORFSA-N 0 0 577.062 4.767 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100072324 554202165 /nfs/dbraw/zinc/20/21/65/554202165.db2.gz HGVIEHZLXAKRFM-HMXFMCBNSA-N 0 0 555.700 4.806 50 10 KJCARN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 ZINC000100084021 554208181 /nfs/dbraw/zinc/20/81/81/554208181.db2.gz GAKMADAUFBBJAW-QKDODKLFSA-N 0 0 539.592 4.829 50 10 KJCARN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 ZINC000100084025 554208188 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COc1cc(/C=C2/SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc(OC)c1OC ZINC000100323880 554307842 /nfs/dbraw/zinc/30/78/42/554307842.db2.gz PHZDUAGNBGNFGL-HKOYGPOVSA-N 0 0 540.707 4.785 50 10 KJCARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOCCOc1ccc(C)cc1 ZINC000100324205 554308111 /nfs/dbraw/zinc/30/81/11/554308111.db2.gz KKGINSCYOHDGGE-CPNJWEJPSA-N 0 0 571.458 4.571 50 10 KJCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC(=O)OC ZINC000100341170 554325477 /nfs/dbraw/zinc/32/54/77/554325477.db2.gz IOPYUIFWEDZFJU-WOJGMQOQSA-N 0 0 585.441 4.656 50 10 KJCARN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000100341847 554326574 /nfs/dbraw/zinc/32/65/74/554326574.db2.gz ZKBLWCUSYZPXHQ-WOJGMQOQSA-N 0 0 569.442 4.956 50 10 KJCARN COc1ccc(/C=C2\SC(N3CCN(C(=O)CCCN4C(=O)/C(=C\c5cccs5)SC4=S)CC3)=NC2=O)cc1 ZINC000100353045 554331540 /nfs/dbraw/zinc/33/15/40/554331540.db2.gz XUWPUDFAWGNXLC-ICZBVKINSA-N 0 0 598.797 4.553 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000100358715 554339514 /nfs/dbraw/zinc/33/95/14/554339514.db2.gz XFODSESUHNSCNH-FMCGGJTJSA-N 0 0 520.588 4.847 50 10 KJCARN CCCN1C(=O)/C(=C\c2cc(I)cc(I)c2OC)SC1=S ZINC000100360763 554343729 /nfs/dbraw/zinc/34/37/29/554343729.db2.gz OOCKFRJPUOGAHP-IZZDOVSWSA-N 0 0 545.205 4.516 50 10 KJCARN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000100361850 554345974 /nfs/dbraw/zinc/34/59/74/554345974.db2.gz UUAMVPWIYCVRRT-FMCGGJTJSA-N 0 0 520.588 4.847 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100365684 554352141 /nfs/dbraw/zinc/35/21/41/554352141.db2.gz VGBHKWPTSIHOCH-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100365689 554352022 /nfs/dbraw/zinc/35/20/22/554352022.db2.gz VGBHKWPTSIHOCH-ACRUOGEOSA-N 0 0 536.765 4.798 50 10 KJCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000100366531 193903365 /nfs/dbraw/zinc/90/33/65/193903365.db2.gz NISSAOMGLCBBPR-HZHRSRAPSA-N 0 0 571.449 4.788 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100368941 554355165 /nfs/dbraw/zinc/35/51/65/554355165.db2.gz BOVQGPWUTPNZPJ-VABKMULXSA-N 0 0 530.374 4.761 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100368947 193905270 /nfs/dbraw/zinc/90/52/70/193905270.db2.gz BOVQGPWUTPNZPJ-RJGXRXQPSA-N 0 0 530.374 4.761 50 10 KJCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]32)cc1 ZINC000100372004 193906498 /nfs/dbraw/zinc/90/64/98/193906498.db2.gz JKOQUUPJGAPAQR-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000100372009 554357294 /nfs/dbraw/zinc/35/72/94/554357294.db2.gz JKOQUUPJGAPAQR-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN COc1cccc(OCCOc2c(I)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 ZINC000100373792 554358444 /nfs/dbraw/zinc/35/84/44/554358444.db2.gz LVAMJYVZXIHXIV-WOJGMQOQSA-N 0 0 557.431 4.597 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Br)c2)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100413951 554377113 /nfs/dbraw/zinc/37/71/13/554377113.db2.gz IPMVSCMWTBDRKB-VABKMULXSA-N 0 0 530.374 4.761 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc(Br)c2)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100413958 554377352 /nfs/dbraw/zinc/37/73/52/554377352.db2.gz IPMVSCMWTBDRKB-RJGXRXQPSA-N 0 0 530.374 4.761 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000100413996 554377273 /nfs/dbraw/zinc/37/72/73/554377273.db2.gz NUNQACXOXMZKRD-HBMCJLEFSA-N 0 0 554.755 4.937 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000100414000 554377275 /nfs/dbraw/zinc/37/72/75/554377275.db2.gz NUNQACXOXMZKRD-ACRUOGEOSA-N 0 0 554.755 4.937 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000100414003 554377304 /nfs/dbraw/zinc/37/73/04/554377304.db2.gz NUNQACXOXMZKRD-NJYVYQBISA-N 0 0 554.755 4.937 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000100414091 554377684 /nfs/dbraw/zinc/37/76/84/554377684.db2.gz FNXVYEXICLKDEB-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000100414095 554377751 /nfs/dbraw/zinc/37/77/51/554377751.db2.gz FNXVYEXICLKDEB-ACRUOGEOSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000100414098 554377641 /nfs/dbraw/zinc/37/76/41/554377641.db2.gz FNXVYEXICLKDEB-NJYVYQBISA-N 0 0 536.765 4.798 50 10 KJCARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)c1 ZINC000100414128 554377963 /nfs/dbraw/zinc/37/79/63/554377963.db2.gz 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ZINC000100414196 554377917 /nfs/dbraw/zinc/37/79/17/554377917.db2.gz JXCDQZPILSWKLP-ACRUOGEOSA-N 0 0 537.311 4.597 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000100414200 554377927 /nfs/dbraw/zinc/37/79/27/554377927.db2.gz JXCDQZPILSWKLP-NJYVYQBISA-N 0 0 537.311 4.597 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100414211 554378350 /nfs/dbraw/zinc/37/83/50/554378350.db2.gz SBJMOADHEGSXKL-VABKMULXSA-N 0 0 564.377 4.865 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100414217 554378314 /nfs/dbraw/zinc/37/83/14/554378314.db2.gz SBJMOADHEGSXKL-RJGXRXQPSA-N 0 0 564.377 4.865 50 10 KJCARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100414231 554378347 /nfs/dbraw/zinc/37/83/47/554378347.db2.gz SOMCRPCWQNGESI-VABKMULXSA-N 0 0 520.368 4.993 50 10 KJCARN Cc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100414235 554378346 /nfs/dbraw/zinc/37/83/46/554378346.db2.gz SOMCRPCWQNGESI-RJGXRXQPSA-N 0 0 520.368 4.993 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100414247 554378358 /nfs/dbraw/zinc/37/83/58/554378358.db2.gz SNRIIZHGTUHORD-PCCBWWKXSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100414250 554378339 /nfs/dbraw/zinc/37/83/39/554378339.db2.gz SNRIIZHGTUHORD-ACRUOGEOSA-N 0 0 536.765 4.798 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Cl)c2Cl)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100414575 554379302 /nfs/dbraw/zinc/37/93/02/554379302.db2.gz BNEGXOKJAOSICZ-FUDKSRODSA-N 0 0 564.377 4.865 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Cl)c3Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000100414582 554379318 /nfs/dbraw/zinc/37/93/18/554379318.db2.gz BNEGXOKJAOSICZ-FUPPJEDESA-N 0 0 564.377 4.865 50 10 KJCARN Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100414587 554379315 /nfs/dbraw/zinc/37/93/15/554379315.db2.gz VGNSGUPPRNPODM-URVUXULASA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Cl)c3Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000100414591 554379357 /nfs/dbraw/zinc/37/93/57/554379357.db2.gz VGNSGUPPRNPODM-RZUBCFFCSA-N 0 0 506.341 4.997 50 10 KJCARN COc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100414597 554379385 /nfs/dbraw/zinc/37/93/85/554379385.db2.gz JCLMWYCLVUYTFW-URVUXULASA-N 0 0 522.340 4.697 50 10 KJCARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Cl)c3Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000100414602 554379382 /nfs/dbraw/zinc/37/93/82/554379382.db2.gz JCLMWYCLVUYTFW-RZUBCFFCSA-N 0 0 522.340 4.697 50 10 KJCARN COc1cccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000100414609 554379328 /nfs/dbraw/zinc/37/93/28/554379328.db2.gz JUQYVWPODHWDKS-URVUXULASA-N 0 0 522.340 4.697 50 10 KJCARN COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3cccc(Cl)c3Cl)C(=O)c3ccccc3C2=O)c1 ZINC000100414614 554379337 /nfs/dbraw/zinc/37/93/37/554379337.db2.gz JUQYVWPODHWDKS-RZUBCFFCSA-N 0 0 522.340 4.697 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 ZINC000100414638 554379624 /nfs/dbraw/zinc/37/96/24/554379624.db2.gz OFJOQMMYCMPPEC-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000100414727 554379589 /nfs/dbraw/zinc/37/95/89/554379589.db2.gz ILPOXZUIIHPZKN-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000100414732 554379565 /nfs/dbraw/zinc/37/95/65/554379565.db2.gz ILPOXZUIIHPZKN-ACRUOGEOSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000100414736 554379571 /nfs/dbraw/zinc/37/95/71/554379571.db2.gz ILPOXZUIIHPZKN-NJYVYQBISA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000100414741 554379613 /nfs/dbraw/zinc/37/96/13/554379613.db2.gz ISIBLZKQBMQDTC-HBMCJLEFSA-N 0 0 581.216 4.907 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000100414745 554380018 /nfs/dbraw/zinc/38/00/18/554380018.db2.gz ISIBLZKQBMQDTC-ACRUOGEOSA-N 0 0 581.216 4.907 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000100414748 554379938 /nfs/dbraw/zinc/37/99/38/554379938.db2.gz ISIBLZKQBMQDTC-NJYVYQBISA-N 0 0 581.216 4.907 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccccc3I)C(=O)[C@H]12 ZINC000100414775 554379994 /nfs/dbraw/zinc/37/99/94/554379994.db2.gz XIGIYRWVROLPPH-ACRUOGEOSA-N 0 0 583.765 4.640 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 ZINC000100414780 554379943 /nfs/dbraw/zinc/37/99/43/554379943.db2.gz XIGIYRWVROLPPH-NJYVYQBISA-N 0 0 583.765 4.640 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100414787 554379945 /nfs/dbraw/zinc/37/99/45/554379945.db2.gz NDKOWKXNCQBBAV-HBMCJLEFSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100414790 554379934 /nfs/dbraw/zinc/37/99/34/554379934.db2.gz NDKOWKXNCQBBAV-ACRUOGEOSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100414795 554379956 /nfs/dbraw/zinc/37/99/56/554379956.db2.gz NDKOWKXNCQBBAV-NJYVYQBISA-N 0 0 510.304 4.828 50 10 KJCARN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 ZINC000100414847 554379959 /nfs/dbraw/zinc/37/99/59/554379959.db2.gz JQOOUOQBZHOQPB-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 ZINC000100414849 554379947 /nfs/dbraw/zinc/37/99/47/554379947.db2.gz JQOOUOQBZHOQPB-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]32)cc1 ZINC000100414862 554380003 /nfs/dbraw/zinc/38/00/03/554380003.db2.gz NTSJIRBXMCCEEV-JAXLGGSGSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 ZINC000100414868 554380027 /nfs/dbraw/zinc/38/00/27/554380027.db2.gz NTSJIRBXMCCEEV-URVUXULASA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000100414975 554380286 /nfs/dbraw/zinc/38/02/86/554380286.db2.gz IEBQUBUMHBYULD-HBMCJLEFSA-N 0 0 583.765 4.640 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000100414977 554380316 /nfs/dbraw/zinc/38/03/16/554380316.db2.gz IEBQUBUMHBYULD-ACRUOGEOSA-N 0 0 583.765 4.640 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 ZINC000100415052 554380547 /nfs/dbraw/zinc/38/05/47/554380547.db2.gz LTGPGKXGUSAGQW-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000100415211 554380807 /nfs/dbraw/zinc/38/08/07/554380807.db2.gz ABZJBTHHXFRTBH-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 ZINC000100415314 554381176 /nfs/dbraw/zinc/38/11/76/554381176.db2.gz BDLFQAUUHXLWPF-BHIFYINESA-N 0 0 505.448 4.709 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1 ZINC000100415317 554381094 /nfs/dbraw/zinc/38/10/94/554381094.db2.gz BDLFQAUUHXLWPF-FSSWDIPSSA-N 0 0 505.448 4.709 50 10 KJCARN CCc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100415348 554381625 /nfs/dbraw/zinc/38/16/25/554381625.db2.gz VBFSYKULYAAZOX-VABKMULXSA-N 0 0 530.374 4.707 50 10 KJCARN CCc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100415353 554381534 /nfs/dbraw/zinc/38/15/34/554381534.db2.gz VBFSYKULYAAZOX-RJGXRXQPSA-N 0 0 530.374 4.707 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000100415452 554381589 /nfs/dbraw/zinc/38/15/89/554381589.db2.gz PGSHGPYRJVJDQT-HBMCJLEFSA-N 0 0 509.411 4.540 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000100415454 554381482 /nfs/dbraw/zinc/38/14/82/554381482.db2.gz PGSHGPYRJVJDQT-NJYVYQBISA-N 0 0 509.411 4.540 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100415507 554381842 /nfs/dbraw/zinc/38/18/42/554381842.db2.gz JDTVXFKPRROASM-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000100415513 554381806 /nfs/dbraw/zinc/38/18/06/554381806.db2.gz JDTVXFKPRROASM-BHIFYINESA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2Br)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100416788 554384525 /nfs/dbraw/zinc/38/45/25/554384525.db2.gz NQRWURDKCRNNDO-VABKMULXSA-N 0 0 530.374 4.761 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2Br)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100416795 554384498 /nfs/dbraw/zinc/38/44/98/554384498.db2.gz NQRWURDKCRNNDO-RJGXRXQPSA-N 0 0 530.374 4.761 50 10 KJCARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100418923 554385499 /nfs/dbraw/zinc/38/54/99/554385499.db2.gz KICAGFVEUTVOFG-FKBYEOEOSA-N 0 0 566.791 4.806 50 10 KJCARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100418928 554385452 /nfs/dbraw/zinc/38/54/52/554385452.db2.gz KICAGFVEUTVOFG-FDFHNCONSA-N 0 0 566.791 4.806 50 10 KJCARN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000100427508 554389891 /nfs/dbraw/zinc/38/98/91/554389891.db2.gz IUMREHFXLZJHNY-BHIFYINESA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100427510 554389913 /nfs/dbraw/zinc/38/99/13/554389913.db2.gz IUMREHFXLZJHNY-FSSWDIPSSA-N 0 0 506.341 4.997 50 10 KJCARN CC(=NCc1cccs1)C1C(=O)N(c2nc3ccccc3s2)NC1=CC(=O)NCc1cccs1 ZINC000100431352 554391678 /nfs/dbraw/zinc/39/16/78/554391678.db2.gz SRNXVNCDXDYUNZ-JCMHNJIXSA-N 0 0 507.666 4.892 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100434301 554392469 /nfs/dbraw/zinc/39/24/69/554392469.db2.gz QLYVJQOGLHGYQB-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100434308 554392429 /nfs/dbraw/zinc/39/24/29/554392429.db2.gz QLYVJQOGLHGYQB-ACRUOGEOSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1Nc2ccccc2/C1=C1\SC(=S)N(CCCCCCN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)C1=O ZINC000100438354 554393339 /nfs/dbraw/zinc/39/33/39/554393339.db2.gz DSYYGKZYBMLNEM-FLFKKZLDSA-N 0 0 606.776 4.994 50 10 KJCARN O=C1Nc2ccccc2/C1=C1/SC(=S)N(CCCCCCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)C1=O ZINC000100438357 554393349 /nfs/dbraw/zinc/39/33/49/554393349.db2.gz DSYYGKZYBMLNEM-WRBBJXAJSA-N 0 0 606.776 4.994 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100443737 554393979 /nfs/dbraw/zinc/39/39/79/554393979.db2.gz YNUMYWPQVJUWII-ACRUOGEOSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100443747 554393966 /nfs/dbraw/zinc/39/39/66/554393966.db2.gz YNUMYWPQVJUWII-HKBOAZHASA-N 0 0 510.304 4.828 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)c(C)c2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000100466707 554398108 /nfs/dbraw/zinc/39/81/08/554398108.db2.gz QDMWPZFGSSJWSC-KMDXXIMOSA-N 0 0 543.959 4.520 50 10 KJCARN CCN(CC)C(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N(CC)CC)C2=O)SC1=S ZINC000100469651 554398807 /nfs/dbraw/zinc/39/88/07/554398807.db2.gz LOFPWLUIZXANQA-QURGRASLSA-N 0 0 600.898 4.776 50 10 KJCARN CCN1C(=O)/C(=C/C=C2\N(CC)c3cc(S(=O)(=O)N(C)C)ccc3N2c2ccccc2)SC1=S ZINC000100475853 554400902 /nfs/dbraw/zinc/40/09/02/554400902.db2.gz WEMJPHUTAPBUOS-BILXGNRESA-N 0 0 514.698 4.520 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]23)cc1 ZINC000100494836 554403887 /nfs/dbraw/zinc/40/38/87/554403887.db2.gz CGXVCUKBELAARW-VABKMULXSA-N 0 0 577.374 4.549 50 10 KJCARN CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]32)cc1 ZINC000100494838 554403911 /nfs/dbraw/zinc/40/39/11/554403911.db2.gz CGXVCUKBELAARW-XPWALMASSA-N 0 0 577.374 4.549 50 10 KJCARN CCn1c(=O)/c(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)s/c1=C1/SC(=S)N(C)C1=O ZINC000100496787 554404310 /nfs/dbraw/zinc/40/43/10/554404310.db2.gz NKJFAAYGWSYTCH-SSUUTUPWSA-N 0 0 547.771 4.677 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]23)cc1 ZINC000100497488 554404603 /nfs/dbraw/zinc/40/46/03/554404603.db2.gz XEVKEAOOTIRCCP-FKBYEOEOSA-N 0 0 505.448 4.709 50 10 KJCARN CCN1C(=O)/C(=c2/s/c(=C\C=C3/Sc4ccc(-c5ccccc5)cc4N3CC)c(=O)n2CC)SC1=S ZINC000100502501 554406393 /nfs/dbraw/zinc/40/63/93/554406393.db2.gz XKNPFTBNNIIILG-HJAZFZGASA-N 0 0 551.784 4.839 50 10 KJCARN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C ZINC000100506373 554407825 /nfs/dbraw/zinc/40/78/25/554407825.db2.gz GKVGGQGTXNBZNT-VJBWXMMDSA-N 0 0 577.374 4.603 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(I)cc2)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000100506374 554407827 /nfs/dbraw/zinc/40/78/27/554407827.db2.gz GKVGGQGTXNBZNT-RJGXRXQPSA-N 0 0 577.374 4.603 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000100512897 554408696 /nfs/dbraw/zinc/40/86/96/554408696.db2.gz ZDJRCHUAYXKXSV-HBMCJLEFSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000100512901 554408703 /nfs/dbraw/zinc/40/87/03/554408703.db2.gz ZDJRCHUAYXKXSV-ACRUOGEOSA-N 0 0 510.304 4.828 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100517584 554409048 /nfs/dbraw/zinc/40/90/48/554409048.db2.gz KWYITRHGYBEVOM-BDTNDASRSA-N 0 0 506.341 4.684 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100517588 554408990 /nfs/dbraw/zinc/40/89/90/554408990.db2.gz KWYITRHGYBEVOM-FKBYEOEOSA-N 0 0 506.341 4.684 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100517592 554409083 /nfs/dbraw/zinc/40/90/83/554409083.db2.gz KWYITRHGYBEVOM-FSSWDIPSSA-N 0 0 506.341 4.684 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100517595 554409020 /nfs/dbraw/zinc/40/90/20/554409020.db2.gz WRKVOYLBJLJCQZ-BDTNDASRSA-N 0 0 550.792 4.793 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100517599 554409062 /nfs/dbraw/zinc/40/90/62/554409062.db2.gz WRKVOYLBJLJCQZ-FKBYEOEOSA-N 0 0 550.792 4.793 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100517601 554409087 /nfs/dbraw/zinc/40/90/87/554409087.db2.gz WRKVOYLBJLJCQZ-VSKRKVRLSA-N 0 0 550.792 4.793 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100517606 554409018 /nfs/dbraw/zinc/40/90/18/554409018.db2.gz GEJXYVDYHQRDAH-BDTNDASRSA-N 0 0 597.792 4.635 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100517609 554408972 /nfs/dbraw/zinc/40/89/72/554408972.db2.gz GEJXYVDYHQRDAH-FKBYEOEOSA-N 0 0 597.792 4.635 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100517613 554409006 /nfs/dbraw/zinc/40/90/06/554409006.db2.gz GEJXYVDYHQRDAH-VSKRKVRLSA-N 0 0 597.792 4.635 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000100524496 554409700 /nfs/dbraw/zinc/40/97/00/554409700.db2.gz ASUNFKITCMGGHT-FKBYEOEOSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000100524500 554409620 /nfs/dbraw/zinc/40/96/20/554409620.db2.gz ASUNFKITCMGGHT-FDFHNCONSA-N 0 0 506.341 4.997 50 10 KJCARN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100618119 554433366 /nfs/dbraw/zinc/43/33/66/554433366.db2.gz QDYRAQMQXLCNMY-HVDVVURSSA-N 0 0 576.722 4.867 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100618611 554433854 /nfs/dbraw/zinc/43/38/54/554433854.db2.gz SKOCSLGNLVPBBW-YNMQQHPQSA-N 0 0 541.673 4.523 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100618614 554433855 /nfs/dbraw/zinc/43/38/55/554433855.db2.gz SKOCSLGNLVPBBW-ASZNLBCTSA-N 0 0 541.673 4.523 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000100619055 554434142 /nfs/dbraw/zinc/43/41/42/554434142.db2.gz FGEAHRQBHAZGIF-CBPRFPNYSA-N 0 0 597.737 4.799 50 10 KJCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100619057 554434332 /nfs/dbraw/zinc/43/43/32/554434332.db2.gz FGEAHRQBHAZGIF-ZRYJBNJPSA-N 0 0 597.737 4.799 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000100642080 554436058 /nfs/dbraw/zinc/43/60/58/554436058.db2.gz GNHHMNPTVDHMSN-HPFDFQMNSA-N 0 0 529.416 4.945 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000100642090 554436002 /nfs/dbraw/zinc/43/60/02/554436002.db2.gz QPKVLPIYBBQRCU-HPFDFQMNSA-N 0 0 576.416 4.787 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000100642151 554436255 /nfs/dbraw/zinc/43/62/55/554436255.db2.gz HHOUUXBZIXCIHM-XNPZUMIVSA-N 0 0 606.442 4.795 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000100642156 554436283 /nfs/dbraw/zinc/43/62/83/554436283.db2.gz IXNKUAKQRKLILK-XNPZUMIVSA-N 0 0 559.442 4.953 50 10 KJCARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C ZINC000100664863 554439671 /nfs/dbraw/zinc/43/96/71/554439671.db2.gz MBUHOHPZOURQJN-UHFFFAOYSA-N 0 0 531.638 4.764 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000100666633 554439954 /nfs/dbraw/zinc/43/99/54/554439954.db2.gz RTEIJBVIRIXMQB-JZBIWTJYSA-N 0 0 534.516 4.733 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100666699 554440207 /nfs/dbraw/zinc/44/02/07/554440207.db2.gz APJDQRPSAPENNT-VHAJMIGMSA-N 0 0 548.543 4.659 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000100666703 554440233 /nfs/dbraw/zinc/44/02/33/554440233.db2.gz HLIHYKCPYRHFLS-VHAJMIGMSA-N 0 0 548.543 4.659 50 10 KJCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000100666737 554440214 /nfs/dbraw/zinc/44/02/14/554440214.db2.gz KGFSUFCGTOSFOG-PUVTXGQCSA-N 0 0 562.570 4.968 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000100677039 554444010 /nfs/dbraw/zinc/44/40/10/554444010.db2.gz JKOQUUPJGAPAQR-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000100677044 554443963 /nfs/dbraw/zinc/44/39/63/554443963.db2.gz JKOQUUPJGAPAQR-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]23)cc1 ZINC000100681329 554447533 /nfs/dbraw/zinc/44/75/33/554447533.db2.gz WHSJPZOOLKZZRC-VABKMULXSA-N 0 0 519.475 4.963 50 10 KJCARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]12 ZINC000100681956 554447865 /nfs/dbraw/zinc/44/78/65/554447865.db2.gz AWOHXJAXTOIZGJ-FKBYEOEOSA-N 0 0 505.448 4.709 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100701569 554451674 /nfs/dbraw/zinc/45/16/74/554451674.db2.gz YMISMCWMCYCCEI-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100701570 554452016 /nfs/dbraw/zinc/45/20/16/554452016.db2.gz 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/nfs/dbraw/zinc/64/33/97/554643397.db2.gz IUMREHFXLZJHNY-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000101117265 554643369 /nfs/dbraw/zinc/64/33/69/554643369.db2.gz IUMREHFXLZJHNY-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl ZINC000101117281 554643359 /nfs/dbraw/zinc/64/33/59/554643359.db2.gz ASUNFKITCMGGHT-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl ZINC000101117283 554643375 /nfs/dbraw/zinc/64/33/75/554643375.db2.gz ASUNFKITCMGGHT-BHDDXSALSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101117352 554643343 /nfs/dbraw/zinc/64/33/43/554643343.db2.gz QLYVJQOGLHGYQB-PWRODBHTSA-N 0 0 536.765 4.798 50 10 KJCARN 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COc1ccc(N2CCN(c3ccc(NC(=O)C(C)C)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000101356911 554740540 /nfs/dbraw/zinc/74/05/40/554740540.db2.gz GBTHNCYKARDFED-QFIPXVFZSA-N 0 0 536.698 4.656 50 10 KJCARN COc1ccc(N2CCN(c3ccc(NC(=O)C(C)C)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356912 554740527 /nfs/dbraw/zinc/74/05/27/554740527.db2.gz GBTHNCYKARDFED-JOCHJYFZSA-N 0 0 536.698 4.656 50 10 KJCARN CCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000101357177 554740494 /nfs/dbraw/zinc/74/04/94/554740494.db2.gz KJESOBONTFISBF-QFIPXVFZSA-N 0 0 536.698 4.800 50 10 KJCARN CCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000101357178 554740675 /nfs/dbraw/zinc/74/06/75/554740675.db2.gz KJESOBONTFISBF-JOCHJYFZSA-N 0 0 536.698 4.800 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)/C(=C/c3ccc(OC)c(OC)c3)S4)CC2)cc1 ZINC000101373917 554745699 /nfs/dbraw/zinc/74/56/99/554745699.db2.gz DTRHZOUXSBAVKT-VEILYXNESA-N 0 0 545.661 4.784 50 10 KJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377499 554746941 /nfs/dbraw/zinc/74/69/41/554746941.db2.gz CEMKCBJJHBJWHA-OVVQPSECSA-N 0 0 605.717 4.531 50 10 KJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377507 554746977 /nfs/dbraw/zinc/74/69/77/554746977.db2.gz XILFLALOYABPSI-KOEQRZSOSA-N 0 0 609.770 4.749 50 10 KJCARN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\c4cc(S(=O)(=O)N5CCOCC5)ccc4N(CC)C3=O)c2C)cc1 ZINC000101377527 554746902 /nfs/dbraw/zinc/74/69/02/554746902.db2.gz RVUANHNPGXEBCS-ZTKZIYFRSA-N 0 0 591.730 4.979 50 10 KJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377533 554746935 /nfs/dbraw/zinc/74/69/35/554746935.db2.gz ZCAOWPABQIQEQJ-PCLIKHOPSA-N 0 0 570.509 4.785 50 10 KJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377538 554747085 /nfs/dbraw/zinc/74/70/85/554747085.db2.gz MKTJZDUJMIDNOF-LFVJCYFKSA-N 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JUZYZSGJBCKCBR-DWCAQMBTSA-N 0 0 518.580 4.774 50 10 KJCARN N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000101405844 554761756 /nfs/dbraw/zinc/76/17/56/554761756.db2.gz JKEDPJYFMDDUQY-DWCAQMBTSA-N 0 0 518.580 4.774 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]23)cc1 ZINC000101414074 554764448 /nfs/dbraw/zinc/76/44/48/554764448.db2.gz XEVKEAOOTIRCCP-BDTNDASRSA-N 0 0 505.448 4.709 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(OC)c(Cl)c4)c(=O)c4c3c3ccccc3n4C)CC2)cc1 ZINC000101414709 554764466 /nfs/dbraw/zinc/76/44/66/554764466.db2.gz ALYLITWYPJWNBV-UHFFFAOYSA-N 0 0 558.038 4.510 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccc(F)cc3)C(=O)c3ccccc3S4(=O)=O)CC2)cc1 ZINC000101415947 554764918 /nfs/dbraw/zinc/76/49/18/554764918.db2.gz XNUGMQUBPGFTJD-UHFFFAOYSA-N 0 0 585.657 4.790 50 10 KJCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)N5CCOCC5)c4)n3)CC2)cc1 ZINC000101423818 554767762 /nfs/dbraw/zinc/76/77/62/554767762.db2.gz DXOKMGILKCANIO-UHFFFAOYSA-N 0 0 561.752 4.874 50 10 KJCARN CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000101427424 554768914 /nfs/dbraw/zinc/76/89/14/554768914.db2.gz HCUHZNGJKXFPRI-QFUYOXOXSA-N 0 0 542.017 4.794 50 10 KJCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C2=N)S1 ZINC000101427444 554768903 /nfs/dbraw/zinc/76/89/03/554768903.db2.gz KYXVHDYGLDXFHV-PERRAXLGSA-N 0 0 542.017 4.794 50 10 KJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OCC)c3)C2=N)S1 ZINC000101427455 554768928 /nfs/dbraw/zinc/76/89/28/554768928.db2.gz HUBKEGIBQLIDQI-BSMJIXEWSA-N 0 0 535.626 4.921 50 10 KJCARN CCOc1cc(/C=C2/C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000101427488 554768944 /nfs/dbraw/zinc/76/89/44/554768944.db2.gz YLTHDMBKXSMXEO-AHXGQMSJSA-N 0 0 535.626 4.777 50 10 KJCARN COc1cc(/C=C2/C(=O)N=C3SC(CC(C)C)=NN3C2=N)ccc1OCCOc1ccc(NC(C)=O)cc1 ZINC000101427493 554768942 /nfs/dbraw/zinc/76/89/42/554768942.db2.gz RGCHXFIZBHKFQO-ALLGYFEPSA-N 0 0 535.626 4.777 50 10 KJCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000101430555 554770424 /nfs/dbraw/zinc/77/04/24/554770424.db2.gz ISMJMDGQBSBYGN-VFWYHHDWSA-N 0 0 526.387 4.983 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000101430604 554770374 /nfs/dbraw/zinc/77/03/74/554770374.db2.gz QLHYWCGCFHCLKL-BLBDVUBRSA-N 0 0 542.386 4.765 50 10 KJCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1c(C)cccc1C ZINC000101430877 554770442 /nfs/dbraw/zinc/77/04/42/554770442.db2.gz JPMPJWPWASOZDQ-BVZJYVBKSA-N 0 0 526.387 4.983 50 10 KJCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C ZINC000101430898 554770362 /nfs/dbraw/zinc/77/03/62/554770362.db2.gz KZEWJQZFAWLSKS-BVZJYVBKSA-N 0 0 526.387 4.983 50 10 KJCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000101430917 554770444 /nfs/dbraw/zinc/77/04/44/554770444.db2.gz PRUQWHYYYBHJAB-VFWYHHDWSA-N 0 0 526.387 4.983 50 10 KJCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000101430934 554770532 /nfs/dbraw/zinc/77/05/32/554770532.db2.gz JHWJTIFZEDMCRO-BVZJYVBKSA-N 0 0 526.387 4.983 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 ZINC000101430958 554770514 /nfs/dbraw/zinc/77/05/14/554770514.db2.gz AAYUSMISCZQFCE-JOPZDBJVSA-N 0 0 542.386 4.765 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccc(OC)c1 ZINC000101431445 554770558 /nfs/dbraw/zinc/77/05/58/554770558.db2.gz XJRDBBQYSGZPPU-IDFHAWAUSA-N 0 0 526.343 4.526 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 ZINC000101431451 554770522 /nfs/dbraw/zinc/77/05/22/554770522.db2.gz ZSTNFHMNPFDGIC-BWBREFNUSA-N 0 0 526.343 4.526 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] ZINC000101431599 554770555 /nfs/dbraw/zinc/77/05/55/554770555.db2.gz UVMDAUWNGHXBFZ-PDBBVDDMSA-N 0 0 527.331 4.785 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000101431602 554770498 /nfs/dbraw/zinc/77/04/98/554770498.db2.gz KSBPIQYLYHBRMY-WNDUKTEYSA-N 0 0 527.331 4.785 50 10 KJCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000101431633 554770512 /nfs/dbraw/zinc/77/05/12/554770512.db2.gz VZHBMBGPGABPPD-AMXFNNBISA-N 0 0 526.343 4.606 50 10 KJCARN COCCNc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000101433131 554771594 /nfs/dbraw/zinc/77/15/94/554771594.db2.gz SBRGIZAFEYEWHU-UHFFFAOYSA-N 0 0 533.028 4.952 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3cccc(C)c3)C(=O)c3ccccc3S4(=O)=O)CC2)cc1 ZINC000101455981 554777193 /nfs/dbraw/zinc/77/71/93/554777193.db2.gz BYUCYTLAIYWBGL-UHFFFAOYSA-N 0 0 581.694 4.959 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C ZINC000101481000 554783751 /nfs/dbraw/zinc/78/37/51/554783751.db2.gz IPMVSCMWTBDRKB-ZRBLBEILSA-N 0 0 530.374 4.761 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C ZINC000101481003 554783771 /nfs/dbraw/zinc/78/37/71/554783771.db2.gz IPMVSCMWTBDRKB-YTFSRNRJSA-N 0 0 530.374 4.761 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000101481316 554784180 /nfs/dbraw/zinc/78/41/80/554784180.db2.gz IEBQUBUMHBYULD-PWRODBHTSA-N 0 0 583.765 4.640 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000101481318 554784224 /nfs/dbraw/zinc/78/42/24/554784224.db2.gz IEBQUBUMHBYULD-PCCBWWKXSA-N 0 0 583.765 4.640 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 ZINC000101481518 554784141 /nfs/dbraw/zinc/78/41/41/554784141.db2.gz LTGPGKXGUSAGQW-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]23)cc1 ZINC000101481642 554784378 /nfs/dbraw/zinc/78/43/78/554784378.db2.gz ABZJBTHHXFRTBH-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1 ZINC000101481850 554784338 /nfs/dbraw/zinc/78/43/38/554784338.db2.gz BDLFQAUUHXLWPF-BDTNDASRSA-N 0 0 505.448 4.709 50 10 KJCARN CCc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101481878 554784370 /nfs/dbraw/zinc/78/43/70/554784370.db2.gz VBFSYKULYAAZOX-YTFSRNRJSA-N 0 0 530.374 4.707 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(F)c1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101482096 554784639 /nfs/dbraw/zinc/78/46/39/554784639.db2.gz PGSHGPYRJVJDQT-PWRODBHTSA-N 0 0 509.411 4.540 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101482138 554784649 /nfs/dbraw/zinc/78/46/49/554784649.db2.gz JDTVXFKPRROASM-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101482142 554784655 /nfs/dbraw/zinc/78/46/55/554784655.db2.gz JDTVXFKPRROASM-BHDDXSALSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101482154 554784669 /nfs/dbraw/zinc/78/46/69/554784669.db2.gz KXFPUEAMDGWNNW-PWRODBHTSA-N 0 0 509.411 4.540 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C ZINC000101483879 554785043 /nfs/dbraw/zinc/78/50/43/554785043.db2.gz NQRWURDKCRNNDO-ZRBLBEILSA-N 0 0 530.374 4.761 50 10 KJCARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101489771 554785805 /nfs/dbraw/zinc/78/58/05/554785805.db2.gz KICAGFVEUTVOFG-BHDDXSALSA-N 0 0 566.791 4.806 50 10 KJCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000101513607 554793430 /nfs/dbraw/zinc/79/34/30/554793430.db2.gz ARHQGFNNEONRES-UHFFFAOYSA-N 0 0 544.718 4.979 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3cccc4sc(N5CCN(c6ccc(OC)cc6)CC5)nc43)CC2)cc1 ZINC000101516988 554793802 /nfs/dbraw/zinc/79/38/02/554793802.db2.gz BGBMIURLQSKEGJ-UHFFFAOYSA-N 0 0 543.693 4.603 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000101532639 554795061 /nfs/dbraw/zinc/79/50/61/554795061.db2.gz GXIFBWBGRVRFJI-UHFFFAOYSA-N 0 0 616.740 4.752 50 10 KJCARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000101548797 1066487900 /nfs/dbraw/zinc/48/79/00/1066487900.db2.gz IZHMRRHZCVOPKW-ACCUITESSA-N 0 0 530.675 4.988 50 10 KJCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000101587106 554801619 /nfs/dbraw/zinc/80/16/19/554801619.db2.gz PDRRVGGXVULFDS-SXGWCWSVSA-N 0 0 542.376 4.666 50 10 KJCARN O=c1/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000101596510 554803329 /nfs/dbraw/zinc/80/33/29/554803329.db2.gz YSVGJTOFNXOOTP-LAUBZIAYSA-N 0 0 552.631 4.966 50 10 KJCARN O=c1/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000101596518 554803323 /nfs/dbraw/zinc/80/33/23/554803323.db2.gz YSVGJTOFNXOOTP-HDFSHUSISA-N 0 0 552.631 4.966 50 10 KJCARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 ZINC000101643693 554814681 /nfs/dbraw/zinc/81/46/81/554814681.db2.gz ISCGDTXDYPVVLB-FDFHNCONSA-N 0 0 529.774 4.868 50 10 KJCARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 ZINC000101643696 554814648 /nfs/dbraw/zinc/81/46/48/554814648.db2.gz ISCGDTXDYPVVLB-BHIFYINESA-N 0 0 529.774 4.868 50 10 KJCARN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000101647919 554816071 /nfs/dbraw/zinc/81/60/71/554816071.db2.gz NJXJKWLIBPEGAR-BDTNDASRSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000101647921 554816097 /nfs/dbraw/zinc/81/60/97/554816097.db2.gz NJXJKWLIBPEGAR-BHDDXSALSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Br)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101647949 554816036 /nfs/dbraw/zinc/81/60/36/554816036.db2.gz IVKRVKLMMFBHEO-PWRODBHTSA-N 0 0 536.765 4.798 50 10 KJCARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101649140 554816006 /nfs/dbraw/zinc/81/60/06/554816006.db2.gz IMKHPGFFJLWECS-BHDDXSALSA-N 0 0 522.340 4.697 50 10 KJCARN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000101673836 554827340 /nfs/dbraw/zinc/82/73/40/554827340.db2.gz MBYUIMFBFNIOIJ-XIEYBQDHSA-N 0 0 558.631 4.813 50 10 KJCARN COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000101750813 554834961 /nfs/dbraw/zinc/83/49/61/554834961.db2.gz KYBSPCLZTCGKKA-XKZIYDEJSA-N 0 0 575.046 4.782 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000101843494 554843080 /nfs/dbraw/zinc/84/30/80/554843080.db2.gz MYJHILUYYXOUMW-FQLXRVMXSA-N 0 0 546.737 4.632 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000101843499 554843005 /nfs/dbraw/zinc/84/30/05/554843005.db2.gz MYJHILUYYXOUMW-WDYNHAJCSA-N 0 0 546.737 4.632 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000101843506 554843017 /nfs/dbraw/zinc/84/30/17/554843017.db2.gz MYJHILUYYXOUMW-URLMMPGGSA-N 0 0 546.737 4.632 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000101843510 554842963 /nfs/dbraw/zinc/84/29/63/554842963.db2.gz MYJHILUYYXOUMW-VMPREFPWSA-N 0 0 546.737 4.632 50 10 KJCARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1 ZINC000101900035 554847138 /nfs/dbraw/zinc/84/71/38/554847138.db2.gz CTHIALXERKYVEE-UHFFFAOYSA-N 0 0 528.630 4.881 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000101917241 554850705 /nfs/dbraw/zinc/85/07/05/554850705.db2.gz MYJNSNOQBFDFGX-UHFFFAOYSA-N 0 0 545.592 4.682 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)cc1 ZINC000101979261 554863423 /nfs/dbraw/zinc/86/34/23/554863423.db2.gz NGGAEFQZQORXGV-LOYHVIPDSA-N 0 0 558.748 4.918 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)cc1 ZINC000101979266 554863405 /nfs/dbraw/zinc/86/34/05/554863405.db2.gz NGGAEFQZQORXGV-XZWHSSHBSA-N 0 0 558.748 4.918 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)cc1 ZINC000101979271 554863365 /nfs/dbraw/zinc/86/33/65/554863365.db2.gz NGGAEFQZQORXGV-IHLOFXLRSA-N 0 0 558.748 4.918 50 10 KJCARN COc1ccc(N2CCN(CCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)cc1 ZINC000101979276 554863391 /nfs/dbraw/zinc/86/33/91/554863391.db2.gz NGGAEFQZQORXGV-KYJUHHDHSA-N 0 0 558.748 4.918 50 10 KJCARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000102008669 1066511508 /nfs/dbraw/zinc/51/15/08/1066511508.db2.gz IZHMRRHZCVOPKW-QBFSEMIESA-N 0 0 530.675 4.988 50 10 KJCARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 ZINC000102129296 554884421 /nfs/dbraw/zinc/88/44/21/554884421.db2.gz AWOHXJAXTOIZGJ-VSKRKVRLSA-N 0 0 505.448 4.709 50 10 KJCARN Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]12 ZINC000102129303 554884427 /nfs/dbraw/zinc/88/44/27/554884427.db2.gz AWOHXJAXTOIZGJ-BDTNDASRSA-N 0 0 505.448 4.709 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102130442 554885211 /nfs/dbraw/zinc/88/52/11/554885211.db2.gz XPHZWMGVLYLKAT-UHFFFAOYSA-N 0 0 545.684 4.958 50 10 KJCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102132411 554886643 /nfs/dbraw/zinc/88/66/43/554886643.db2.gz DWQHZNGJSLJNGB-UHFFFAOYSA-N 0 0 590.681 4.866 50 10 KJCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)n3)CC2)cc1 ZINC000102191595 554894846 /nfs/dbraw/zinc/89/48/46/554894846.db2.gz SFTPXAUYQGCSID-UHFFFAOYSA-N 0 0 602.805 4.706 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000102260689 554905169 /nfs/dbraw/zinc/90/51/69/554905169.db2.gz OPCDOQDDUYBWEG-KEPJHFNWSA-N 0 0 571.699 4.531 50 10 KJCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000102306417 554909313 /nfs/dbraw/zinc/90/93/13/554909313.db2.gz FANKWEAKXOCBGT-XQNSMLJCSA-N 0 0 578.119 4.977 50 10 KJCARN O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000102389870 554918672 /nfs/dbraw/zinc/91/86/72/554918672.db2.gz PELMJHRNTIKEJZ-UHFFFAOYSA-N 0 0 523.250 4.978 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102441920 554929896 /nfs/dbraw/zinc/92/98/96/554929896.db2.gz WISRQIKCUOEEGN-OCEWKHMESA-N 0 0 548.064 4.778 50 10 KJCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000102441925 554929903 /nfs/dbraw/zinc/92/99/03/554929903.db2.gz WISRQIKCUOEEGN-MKWGYRPRSA-N 0 0 548.064 4.778 50 10 KJCARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000102524856 554951635 /nfs/dbraw/zinc/95/16/35/554951635.db2.gz AGINGMNZYCIVGL-UHFFFAOYSA-N 0 0 549.425 4.591 50 10 KJCARN O=C(c1ccccc1)N1CCN(c2ccc(NC=C3C(=O)NC(=S)N(C4CCCCC4)C3=O)cc2Cl)CC1 ZINC000102549256 554960794 /nfs/dbraw/zinc/96/07/94/554960794.db2.gz ROQGIWXHWKFTLN-RELWKKBWSA-N 0 0 552.100 4.586 50 10 KJCARN CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C\C=C2/SC(c3ccccc3)=C(c3ccccc3)N2C)c(=O)n1C ZINC000102580649 554972268 /nfs/dbraw/zinc/97/22/68/554972268.db2.gz PNUGXJRBUPSYIE-ADFXAYNPSA-N 0 0 562.720 4.847 50 10 KJCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000102617823 554985028 /nfs/dbraw/zinc/98/50/28/554985028.db2.gz BRVBELKIZKMXMZ-RGRWXVMTSA-N 0 0 605.974 4.580 50 10 KJCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000102617833 554985024 /nfs/dbraw/zinc/98/50/24/554985024.db2.gz BRVBELKIZKMXMZ-XTIGRCASSA-N 0 0 605.974 4.580 50 10 KJCARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000102621822 554987063 /nfs/dbraw/zinc/98/70/63/554987063.db2.gz UOLUXEDVTJEUAV-BWAHOGKJSA-N 0 0 587.702 4.570 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1F)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000102656414 554999142 /nfs/dbraw/zinc/99/91/42/554999142.db2.gz VHIYSHQNGQMGLK-HBMCJLEFSA-N 0 0 509.411 4.540 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1F)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000102656415 554999036 /nfs/dbraw/zinc/99/90/36/554999036.db2.gz VHIYSHQNGQMGLK-PWRODBHTSA-N 0 0 509.411 4.540 50 10 KJCARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000102659505 554999698 /nfs/dbraw/zinc/99/96/98/554999698.db2.gz 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/nfs/dbraw/zinc/52/46/36/571524636.db2.gz HZLFERFNCYBETC-PCCBWWKXSA-N 0 0 628.216 4.749 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(I)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000150645350 571525015 /nfs/dbraw/zinc/52/50/15/571525015.db2.gz OIOVCZZXHAXGNC-PCCBWWKXSA-N 0 0 628.216 4.749 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(I)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000150645360 571525028 /nfs/dbraw/zinc/52/50/28/571525028.db2.gz OIOVCZZXHAXGNC-PWRODBHTSA-N 0 0 628.216 4.749 50 10 KJCARN COc1ccc(N2CCN(C(=O)[C@@H](Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)CC2)cc1 ZINC000150653191 571525923 /nfs/dbraw/zinc/52/59/23/571525923.db2.gz CNNBJRHFHPSPJC-DODOAAEWSA-N 0 0 658.796 4.657 50 10 KJCARN COc1ccc(N2CCN(C(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 ZINC000150653694 571526169 /nfs/dbraw/zinc/52/61/69/571526169.db2.gz UVLDARVNLRWGBB-SMCANUKXSA-N 0 0 690.863 4.754 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 ZINC000169617102 571553780 /nfs/dbraw/zinc/55/37/80/571553780.db2.gz OFJOQMMYCMPPEC-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1 ZINC000169617240 571553758 /nfs/dbraw/zinc/55/37/58/571553758.db2.gz JQOOUOQBZHOQPB-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1 ZINC000169617430 571553917 /nfs/dbraw/zinc/55/39/17/571553917.db2.gz CGXVCUKBELAARW-ZLNRFVROSA-N 0 0 577.374 4.549 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1 ZINC000169618098 571554022 /nfs/dbraw/zinc/55/40/22/571554022.db2.gz BDLFQAUUHXLWPF-VSKRKVRLSA-N 0 0 505.448 4.709 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 ZINC000169620298 571554296 /nfs/dbraw/zinc/55/42/96/571554296.db2.gz NTSJIRBXMCCEEV-SJBKTWHCSA-N 0 0 506.341 4.997 50 10 KJCARN COc1ccc(CCNC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000169677337 571554828 /nfs/dbraw/zinc/55/48/28/571554828.db2.gz HPGFRNOIKTZNOW-IAPPQJPRSA-N 0 0 539.598 4.949 50 10 KJCARN COc1ccc(CCNC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000169677338 571554858 /nfs/dbraw/zinc/55/48/58/571554858.db2.gz HPGFRNOIKTZNOW-XCZPVHLTSA-N 0 0 539.598 4.949 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000169680812 571556996 /nfs/dbraw/zinc/55/69/96/571556996.db2.gz ABZJBTHHXFRTBH-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000169680822 571557025 /nfs/dbraw/zinc/55/70/25/571557025.db2.gz SNRIIZHGTUHORD-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 ZINC000169682883 571557926 /nfs/dbraw/zinc/55/79/26/571557926.db2.gz LTGPGKXGUSAGQW-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]23)cc1 ZINC000169684158 571558252 /nfs/dbraw/zinc/55/82/52/571558252.db2.gz JJFVBYQYOZEZDB-VSKRKVRLSA-N 0 0 505.448 4.709 50 10 KJCARN Cc1c(Cl)cccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169687586 571558509 /nfs/dbraw/zinc/55/85/09/571558509.db2.gz QHLBGHUSIMRSAN-VSKRKVRLSA-N 0 0 506.341 4.997 50 10 KJCARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C1=O)CCCC2 ZINC000170620706 571562591 /nfs/dbraw/zinc/56/25/91/571562591.db2.gz SCUKSXPNAKBVMB-CCDWMCETSA-N 0 0 531.634 4.531 50 10 KJCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]23)cc1 ZINC000195528696 571563230 /nfs/dbraw/zinc/56/32/30/571563230.db2.gz XEVKEAOOTIRCCP-VSKRKVRLSA-N 0 0 505.448 4.709 50 10 KJCARN CC1CC[NH+](CC2CCN(Cc3cc(I)cc(I)c3[O-])CC2)CC1 ZINC000205260878 1066470060 /nfs/dbraw/zinc/47/00/60/1066470060.db2.gz IOOJGNNCNOZTJN-UHFFFAOYSA-N 0 0 554.254 4.545 50 10 KJCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000207098244 571573073 /nfs/dbraw/zinc/57/30/73/571573073.db2.gz LKZJGFRBMHWSSG-GRSHGNNSSA-N 0 0 521.458 4.923 50 10 KJCARN CC(=O)c1ccc(N2CCN(C(=O)CSC3=NC(=Cc4ccc(N(C)C)cc4)C(=O)N3c3ccccc3)CC2)cc1 ZINC000215755596 571586188 /nfs/dbraw/zinc/58/61/88/571586188.db2.gz VLJATNKMDAGVAK-XHLNEMQHSA-N 0 0 567.715 4.781 50 10 KJCARN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000217667204 571602386 /nfs/dbraw/zinc/60/23/86/571602386.db2.gz QVJRDTBWOVHLRN-FNLHRSDSSA-N 0 0 570.092 4.626 50 10 KJCARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000217667470 571602327 /nfs/dbraw/zinc/60/23/27/571602327.db2.gz WLVOUDPLSOEFFG-WVQWTBLQSA-N 0 0 599.488 4.626 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Br)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000222312467 571605053 /nfs/dbraw/zinc/60/50/53/571605053.db2.gz IVKRVKLMMFBHEO-HBMCJLEFSA-N 0 0 536.765 4.798 50 10 KJCARN CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000226400086 572136850 /nfs/dbraw/zinc/13/68/50/572136850.db2.gz SAUWKANNKHSXQN-QDPGVEIFSA-N 0 0 541.739 4.932 50 10 KJCARN CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000226400096 572136934 /nfs/dbraw/zinc/13/69/34/572136934.db2.gz SAUWKANNKHSXQN-LXFBAYGMSA-N 0 0 541.739 4.932 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000226875757 572144557 /nfs/dbraw/zinc/14/45/57/572144557.db2.gz ZRPGTTSPJMYSLQ-ZLNRFVROSA-N 0 0 530.374 4.707 50 10 KJCARN CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]23)cc1 ZINC000226875780 572144703 /nfs/dbraw/zinc/14/47/03/572144703.db2.gz WHSJPZOOLKZZRC-ZLNRFVROSA-N 0 0 519.475 4.963 50 10 KJCARN COc1ccc(Cl)cc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000226901573 572145088 /nfs/dbraw/zinc/14/50/88/572145088.db2.gz KPCHRNUDLYNHTL-VSKRKVRLSA-N 0 0 522.340 4.697 50 10 KJCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000226942478 572146037 /nfs/dbraw/zinc/14/60/37/572146037.db2.gz NCNTTWVNAICPFR-PWRODBHTSA-N 0 0 536.765 4.798 50 10 KJCARN CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000227020183 572147273 /nfs/dbraw/zinc/14/72/73/572147273.db2.gz LUDNBEDYZWKYCU-OYUWMTPXSA-N 0 0 508.534 4.865 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229602054 572155148 /nfs/dbraw/zinc/15/51/48/572155148.db2.gz LTYALSLLBKTIJI-SDHOMARFSA-N 0 0 523.545 4.859 50 10 KJCARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229618483 572157079 /nfs/dbraw/zinc/15/70/79/572157079.db2.gz IKVJYZCLCGIDKT-SDHOMARFSA-N 0 0 523.545 4.859 50 10 KJCARN CCCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4O)[C@@H]3C2=O)cc1 ZINC000229874614 572164540 /nfs/dbraw/zinc/16/45/40/572164540.db2.gz JOIKJQPYKCXRGS-JIMJEQGWSA-N 0 0 517.538 4.921 50 10 KJCARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000229895919 572166571 /nfs/dbraw/zinc/16/65/71/572166571.db2.gz GLYIVPQFHSHVMY-NXCFDTQHSA-N 0 0 539.584 4.709 50 10 KJCARN CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000229895932 572166785 /nfs/dbraw/zinc/16/67/85/572166785.db2.gz GLYIVPQFHSHVMY-GSDHBNRESA-N 0 0 539.584 4.709 50 10 KJCARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000229918079 572169029 /nfs/dbraw/zinc/16/90/29/572169029.db2.gz WJWWTLYHMHXMSD-JIMJEQGWSA-N 0 0 516.554 4.501 50 10 KJCARN COc1cc([C@@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229922302 572169619 /nfs/dbraw/zinc/16/96/19/572169619.db2.gz FDWXBXCYVDUYBC-IARZGTGTSA-N 0 0 567.594 4.660 50 10 KJCARN COc1cc([C@@H]2[C@@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229922310 572169769 /nfs/dbraw/zinc/16/97/69/572169769.db2.gz FDWXBXCYVDUYBC-UPRLRBBYSA-N 0 0 567.594 4.660 50 10 KJCARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cc(Br)ccc4O)[C@@H]3C2=O)cc1 ZINC000229968649 572175299 /nfs/dbraw/zinc/17/52/99/572175299.db2.gz ISCGDTXDYPVVLB-BHDDXSALSA-N 0 0 529.774 4.868 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000229968851 572175403 /nfs/dbraw/zinc/17/54/03/572175403.db2.gz SWBOOCXVDUTPMY-ISJGIBHGSA-N 0 0 519.985 4.634 50 10 KJCARN COc1ccc([C@@H]2NC(=S)N[C@]34Oc5c(O)c(O)ccc5[C@H](c5ccc(OC)cc5)[C@@H]3CCC[C@@H]24)cc1 ZINC000230020854 572179068 /nfs/dbraw/zinc/17/90/68/572179068.db2.gz ISPSPYAXVKKUQA-WQQHWKMXSA-N 0 0 518.635 4.971 50 10 KJCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000230026668 572179474 /nfs/dbraw/zinc/17/94/74/572179474.db2.gz YNSPZAUKPYUQCP-PWRODBHTSA-N 0 0 544.199 4.968 50 10 KJCARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 ZINC000238900303 572189103 /nfs/dbraw/zinc/18/91/03/572189103.db2.gz ISCGDTXDYPVVLB-YPAWHYETSA-N 0 0 529.774 4.868 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 ZINC000238937035 572189663 /nfs/dbraw/zinc/18/96/63/572189663.db2.gz SWBOOCXVDUTPMY-UBFVSLLYSA-N 0 0 519.985 4.634 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000239025397 572189988 /nfs/dbraw/zinc/18/99/88/572189988.db2.gz BNEGXOKJAOSICZ-XJUOHMSHSA-N 0 0 564.377 4.865 50 10 KJCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C ZINC000239165185 572191134 /nfs/dbraw/zinc/19/11/34/572191134.db2.gz NQRWURDKCRNNDO-YTFSRNRJSA-N 0 0 530.374 4.761 50 10 KJCARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000239174265 572191457 /nfs/dbraw/zinc/19/14/57/572191457.db2.gz PQUCHGUJQDISOQ-ZRBLBEILSA-N 0 0 546.373 4.543 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c(C)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000239174498 572191898 /nfs/dbraw/zinc/19/18/98/572191898.db2.gz QDMWPZFGSSJWSC-VXNXHJTFSA-N 0 0 543.959 4.520 50 10 KJCARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000239203271 572191899 /nfs/dbraw/zinc/19/18/99/572191899.db2.gz SBJMOADHEGSXKL-ZRBLBEILSA-N 0 0 564.377 4.865 50 10 KJCARN CCc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000239231168 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ZINC000826647486 1066504703 /nfs/dbraw/zinc/50/47/03/1066504703.db2.gz IPBVJTRJZHRMMT-RBUKOAKNSA-N 0 0 566.265 4.830 50 10 KJCARN [O-]c1c(I)cc(I)cc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000826647490 1066504905 /nfs/dbraw/zinc/50/49/05/1066504905.db2.gz IPBVJTRJZHRMMT-RTBURBONSA-N 0 0 566.265 4.830 50 10 KJCARN COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCO[C@@H](c5ccccc5)C4)c23)c(OC)c1OC ZINC000886025691 1066513754 /nfs/dbraw/zinc/51/37/54/1066513754.db2.gz VHISILCDWKYNJH-RUZDIDTESA-N 0 0 503.551 4.969 50 10 KJCARN COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCO[C@H](c5ccccc5)C4)c23)c(OC)c1OC ZINC000886025692 1066513688 /nfs/dbraw/zinc/51/36/88/1066513688.db2.gz VHISILCDWKYNJH-VWLOTQADSA-N 0 0 503.551 4.969 50 10 KJCARN C[C@H](NC(=O)CCn1c2ccccc2c2c1[C@H]1N(C)c3ccccc3C(=O)N1CC2)c1nc2ccccc2[nH]1 ZINC000888090636 1066403280 /nfs/dbraw/zinc/40/32/80/1066403280.db2.gz LUTDDJZEVYJWJZ-ADSBAMQRSA-N 0 0 518.621 4.932 50 10 KJCARN C[C@@H](NC(=O)CCn1c2ccccc2c2c1[C@@H]1N(C)c3ccccc3C(=O)N1CC2)c1nc2ccccc2[nH]1 ZINC000888090637 1066403160 /nfs/dbraw/zinc/40/31/60/1066403160.db2.gz LUTDDJZEVYJWJZ-HZAQMHFWSA-N 0 0 518.621 4.932 50 10 KJCARN C[C@@H](NC(=O)CCn1c2ccccc2c2c1[C@H]1N(C)c3ccccc3C(=O)N1CC2)c1nc2ccccc2[nH]1 ZINC000888090638 1066403225 /nfs/dbraw/zinc/40/32/25/1066403225.db2.gz LUTDDJZEVYJWJZ-QTEAWJPNSA-N 0 0 518.621 4.932 50 10 KJCARN C[C@H](NC(=O)CCn1c2ccccc2c2c1[C@@H]1N(C)c3ccccc3C(=O)N1CC2)c1nc2ccccc2[nH]1 ZINC000888090639 1066403023 /nfs/dbraw/zinc/40/30/23/1066403023.db2.gz LUTDDJZEVYJWJZ-WWOZWPLTSA-N 0 0 518.621 4.932 50 10 KJCARN Cc1nnc(-c2ccc(NC(=O)Cn3c4ccccc4c4c3[C@@H]3N(C)c5ccccc5C(=O)N3CC4)cc2)o1 ZINC000888090703 1066402229 /nfs/dbraw/zinc/40/22/29/1066402229.db2.gz OXCWLOVBLBEWDN-GDLZYMKVSA-N 0 0 518.577 4.785 50 10 KJCARN Cc1nnc(-c2ccc(NC(=O)Cn3c4ccccc4c4c3[C@H]3N(C)c5ccccc5C(=O)N3CC4)cc2)o1 ZINC000888090704 1066402193 /nfs/dbraw/zinc/40/21/93/1066402193.db2.gz OXCWLOVBLBEWDN-LJAQVGFWSA-N 0 0 518.577 4.785 50 10 KJCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)Nc4nnc([C@H]5CCCO5)s4)c3[C@H]12 ZINC000888090854 1066403263 /nfs/dbraw/zinc/40/32/63/1066403263.db2.gz XSUSPGAVYNLSOG-ATIYNZHBSA-N 0 0 528.638 4.520 50 10 KJCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)Nc4nnc([C@@H]5CCCO5)s4)c3[C@H]12 ZINC000888090855 1066403059 /nfs/dbraw/zinc/40/30/59/1066403059.db2.gz XSUSPGAVYNLSOG-BKMJKUGQSA-N 0 0 528.638 4.520 50 10 KJCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)Nc4nnc([C@H]5CCCO5)s4)c3[C@@H]12 ZINC000888090856 1066403108 /nfs/dbraw/zinc/40/31/08/1066403108.db2.gz XSUSPGAVYNLSOG-GJZUVCINSA-N 0 0 528.638 4.520 50 10 KJCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)Nc4nnc([C@@H]5CCCO5)s4)c3[C@@H]12 ZINC000888090857 1066403377 /nfs/dbraw/zinc/40/33/77/1066403377.db2.gz XSUSPGAVYNLSOG-NVQXNPDNSA-N 0 0 528.638 4.520 50 10 KJCARN CC(C)(C)OC(=O)NCCC(=O)OCCOCCOCCOCCOC(=O)C(C)(COC(=O)CCCCCN=[N+]=[N-])COC(=O)CCCCCN=[N+]=[N-] ZINC001501018263 1067171918 /nfs/dbraw/zinc/17/19/18/1067171918.db2.gz RLLHKEUTDVVHOB-UHFFFAOYSA-N 0 0 759.855 4.872 50 10 KJCARN