smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c(F)ccc(O)c1O ZINC001648464752 1092221547 /nfs/dbraw/zinc/22/15/47/1092221547.db2.gz DWYRQJDSZBXVRF-UHFFFAOYSA-N 0 1 344.342 2.612 10 10 EFCEMN Cc1nn(-c2ccccc2)cc1NC(=O)c1c(F)ccc(O)c1O ZINC001650935000 1093511534 /nfs/dbraw/zinc/51/15/34/1093511534.db2.gz XAPNEEYCZZQAGW-UHFFFAOYSA-N 0 1 327.315 2.983 10 10 EFCEMN Cc1ccc(O)c(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)c1 ZINC001648926420 1095771303 /nfs/dbraw/zinc/77/13/03/1095771303.db2.gz GMLKAPWJDKYBBV-UHFFFAOYSA-N 0 1 341.392 2.568 10 10 EFCEMN CCc1c(NC(=O)Cc2ccc(O)c(O)c2)[nH]nc1-c1ccncc1 ZINC001611529975 1099017697 /nfs/dbraw/zinc/01/76/97/1099017697.db2.gz IZICYPIPPQLFSM-UHFFFAOYSA-N 0 1 338.367 2.627 10 10 EFCEMN CC1CCN(c2ccc(CNC(=O)CCN3CC[C@@H](F)C3)cc2)CC1 ZINC001616695501 1099189387 /nfs/dbraw/zinc/18/93/87/1099189387.db2.gz RDKWDYVVMWMMNY-GOSISDBHSA-N 0 1 347.478 2.973 10 10 EFCEMN COC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001620284488 1099348898 /nfs/dbraw/zinc/34/88/98/1099348898.db2.gz KJBQKXCGOCWAON-UHFFFAOYSA-N 0 1 346.471 2.831 10 10 EFCEMN COC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001620284488 1099348912 /nfs/dbraw/zinc/34/89/12/1099348912.db2.gz KJBQKXCGOCWAON-UHFFFAOYSA-N 0 1 346.471 2.831 10 10 EFCEMN COC(=O)[C@@]1(C)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC001620492894 1099355338 /nfs/dbraw/zinc/35/53/38/1099355338.db2.gz DJMZLNLKRKKYIN-BTDLBPIBSA-N 0 1 339.819 2.879 10 10 EFCEMN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC001620492894 1099355348 /nfs/dbraw/zinc/35/53/48/1099355348.db2.gz DJMZLNLKRKKYIN-BTDLBPIBSA-N 0 1 339.819 2.879 10 10 EFCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2n[nH]cc2c1 ZINC001625688712 1099839758 /nfs/dbraw/zinc/83/97/58/1099839758.db2.gz HUCVWYQBGCKCNN-UHFFFAOYSA-N 0 1 337.166 2.900 10 10 EFCEMN CCOC(=O)CC(C)(C)CC(=O)C(O)=C1CC(=O)Nc2ccccc21 ZINC001627026787 1099949071 /nfs/dbraw/zinc/94/90/71/1099949071.db2.gz XRCIPZPXPQVRBK-CYBMUJFWSA-N 0 1 345.395 2.620 10 10 EFCEMN Cc1ccc2nc(CNC(=O)c3ccc(N=NC(N)=O)cc3)[nH]c2c1 ZINC001630353511 1100297771 /nfs/dbraw/zinc/29/77/71/1100297771.db2.gz YBTNUNOAVHCJER-UHFFFAOYSA-N 0 1 336.355 2.964 10 10 EFCEMN CN(CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCSC1 ZINC001635965208 1100690221 /nfs/dbraw/zinc/69/02/21/1100690221.db2.gz QOPPMFDUHRXQDN-CQSZACIVSA-N 0 1 330.453 2.599 10 10 EFCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]cc(Cl)c1=O ZINC001638777303 1100885467 /nfs/dbraw/zinc/88/54/67/1100885467.db2.gz JIKWJGZQWQCXKM-UHFFFAOYSA-N 0 1 347.585 2.971 10 10 EFCEMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]2CCN2C)ccc1C ZINC001652329197 1101479800 /nfs/dbraw/zinc/47/98/00/1101479800.db2.gz XFQRAUVEWKHDRG-SFHVURJKSA-N 0 1 339.439 2.649 10 10 EFCEMN CCN(C)C(=O)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001654557973 1101733454 /nfs/dbraw/zinc/73/34/54/1101733454.db2.gz ARLRYDYPCWPOOV-UHFFFAOYSA-N 0 1 332.331 2.581 10 10 EFCEMN CN1CCCc2cc(CNC(=O)c3cc(F)cc(F)c3O)ccc21 ZINC001625847740 1101809624 /nfs/dbraw/zinc/80/96/24/1101809624.db2.gz FGLKOHCOLRBMGP-UHFFFAOYSA-N 0 1 332.350 2.983 10 10 EFCEMN COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977945 1102648949 /nfs/dbraw/zinc/64/89/49/1102648949.db2.gz OBEFOZDAHCNYOR-SNVBAGLBSA-N 0 1 333.812 2.523 10 10 EFCEMN COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977944 1102649513 /nfs/dbraw/zinc/64/95/13/1102649513.db2.gz OBEFOZDAHCNYOR-JTQLQIEISA-N 0 1 333.812 2.523 10 10 EFCEMN CC(C)C(C)(C)CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001675580594 1106388550 /nfs/dbraw/zinc/38/85/50/1106388550.db2.gz SAHJBDKENKZTDR-UHFFFAOYSA-N 0 1 346.519 2.920 10 10 EFCEMN C[C@@H]1[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000925333193 1107680241 /nfs/dbraw/zinc/68/02/41/1107680241.db2.gz BCJOQBGFLWUSPY-PELKAZGASA-N 0 1 332.231 2.591 10 10 EFCEMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 ZINC000033323984 202258160 /nfs/dbraw/zinc/25/81/60/202258160.db2.gz HAMUGHJHLPAWNS-QINSGFPZSA-N 0 1 343.427 2.793 10 10 EFCEMN NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000035421635 202301986 /nfs/dbraw/zinc/30/19/86/202301986.db2.gz OQFDWBRCNROOGY-LJQANCHMSA-N 0 1 332.403 2.958 10 10 EFCEMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263569448 240384471 /nfs/dbraw/zinc/38/44/71/240384471.db2.gz HNITYWHRPMQJDS-MRXNPFEDSA-N 0 1 340.423 2.992 10 10 EFCEMN Cn1ccnc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266145916 240475043 /nfs/dbraw/zinc/47/50/43/240475043.db2.gz IWFFIOAUVKTMMX-CYBMUJFWSA-N 0 1 336.386 2.780 10 10 EFCEMN O=C(NC1CCN(Cc2ccsc2)CC1)c1cccc(O)c1O ZINC000225733291 242011041 /nfs/dbraw/zinc/01/10/41/242011041.db2.gz HCHADTPDBDZKCP-UHFFFAOYSA-N 0 1 332.425 2.554 10 10 EFCEMN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366111590 242343128 /nfs/dbraw/zinc/34/31/28/242343128.db2.gz BYNREKTUAINDPZ-HNNXBMFYSA-N 0 1 342.443 2.985 10 10 EFCEMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862530 242309725 /nfs/dbraw/zinc/30/97/25/242309725.db2.gz QWHCCWODZPPZQO-WDEREUQCSA-N 0 1 345.798 2.727 10 10 EFCEMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364862518 242309829 /nfs/dbraw/zinc/30/98/29/242309829.db2.gz QWHCCWODZPPZQO-GHMZBOCLSA-N 0 1 345.798 2.727 10 10 EFCEMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1 ZINC000054179348 132190203 /nfs/dbraw/zinc/19/02/03/132190203.db2.gz PEQQJIVBJAWNAX-QGZVFWFLSA-N 0 1 341.430 2.817 10 10 EFCEMN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527953182 316504495 /nfs/dbraw/zinc/50/44/95/316504495.db2.gz KIPXRKOSFOUGFW-AEGPPILISA-N 0 1 333.350 2.992 10 10 EFCEMN Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000124702160 473288572 /nfs/dbraw/zinc/28/85/72/473288572.db2.gz CNCLCOGZKNLVQO-ZDUSSCGKSA-N 0 1 329.448 2.557 10 10 EFCEMN C[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1[O-] ZINC000190648406 473345043 /nfs/dbraw/zinc/34/50/43/473345043.db2.gz XHMKXWXXGDQJPG-JTQLQIEISA-N 0 1 330.222 2.958 10 10 EFCEMN C[C@@H](NC(=O)c1ccccc1O)c1ccc(N2CCN(C)CC2)cc1 ZINC000055709766 472227968 /nfs/dbraw/zinc/22/79/68/472227968.db2.gz NVZAHSLFKKAVTD-OAHLLOKOSA-N 0 1 339.439 2.635 10 10 EFCEMN Cc1cc(O)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198367 472647537 /nfs/dbraw/zinc/64/75/37/472647537.db2.gz APIHDQNROAKPDW-KRWDZBQOSA-N 0 1 326.444 2.900 10 10 EFCEMN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n[nH]1 ZINC000120611817 472718509 /nfs/dbraw/zinc/71/85/09/472718509.db2.gz IRYGMBOSAGIBDS-CQSZACIVSA-N 0 1 339.443 2.525 10 10 EFCEMN COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000048748703 472907419 /nfs/dbraw/zinc/90/74/19/472907419.db2.gz OJSCWEOSLMANQW-UHFFFAOYSA-N 0 1 346.402 2.666 10 10 EFCEMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNc1ccccc1 ZINC000135721772 473109227 /nfs/dbraw/zinc/10/92/27/473109227.db2.gz PMNLIWHOELROSV-BENRWUELSA-N 0 1 341.367 2.569 10 10 EFCEMN CN(C)c1ccc(CNCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185763595 473508804 /nfs/dbraw/zinc/50/88/04/473508804.db2.gz UIVFHRPTNLOAJT-UHFFFAOYSA-N 0 1 337.427 2.740 10 10 EFCEMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000191333324 473528017 /nfs/dbraw/zinc/52/80/17/473528017.db2.gz PNNAXTJSVIGQBG-UHFFFAOYSA-N 0 1 336.798 2.687 10 10 EFCEMN COCc1nc2n(n1)CCC[C@@H]2NCc1c(O)ccc(Cl)c1F ZINC000191332340 473528859 /nfs/dbraw/zinc/52/88/59/473528859.db2.gz UYDHIOPMQOFOPX-NSHDSACASA-N 0 1 340.786 2.547 10 10 EFCEMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCN(CCn2cccn2)CC1 ZINC000180095671 473797166 /nfs/dbraw/zinc/79/71/66/473797166.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 0 1 348.878 2.839 10 10 EFCEMN CCc1noc([C@@H](C)N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC000180102058 473800360 /nfs/dbraw/zinc/80/03/60/473800360.db2.gz WCSDXPNEYZBQRT-CQSZACIVSA-N 0 1 330.432 2.525 10 10 EFCEMN COc1ccc(O)c(CN2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000180239738 473835522 /nfs/dbraw/zinc/83/55/22/473835522.db2.gz ZXKWKLZFVYUDHC-UHFFFAOYSA-N 0 1 346.452 2.810 10 10 EFCEMN COc1ccc(O)c(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000180238550 473835651 /nfs/dbraw/zinc/83/56/51/473835651.db2.gz CUJZKJULTNWEDP-QGZVFWFLSA-N 0 1 344.386 2.777 10 10 EFCEMN COc1ccc(CNCc2cccc(N3CCOCC3)n2)cc1C ZINC000274853568 473989105 /nfs/dbraw/zinc/98/91/05/473989105.db2.gz YIPMBBDUWPMIPB-UHFFFAOYSA-N 0 1 327.428 2.525 10 10 EFCEMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282587852 474120959 /nfs/dbraw/zinc/12/09/59/474120959.db2.gz BXKYRSMHUYHRIK-BLLLJJGKSA-N 0 1 325.836 2.703 10 10 EFCEMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282587864 474121133 /nfs/dbraw/zinc/12/11/33/474121133.db2.gz BXKYRSMHUYHRIK-MLGOLLRUSA-N 0 1 325.836 2.703 10 10 EFCEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000284481639 474649678 /nfs/dbraw/zinc/64/96/78/474649678.db2.gz FPAHVUMFORUWAP-MSOLQXFVSA-N 0 1 341.459 2.757 10 10 EFCEMN Cc1nc(F)ccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000278515329 474675350 /nfs/dbraw/zinc/67/53/50/474675350.db2.gz XGPZGMZMTQHERL-UHFFFAOYSA-N 0 1 329.419 2.998 10 10 EFCEMN CN(C)c1ccc(CNCc2cnnn2Cc2ccccc2)cc1F ZINC000292007818 474799177 /nfs/dbraw/zinc/79/91/77/474799177.db2.gz VOLASTSZSGCAFM-UHFFFAOYSA-N 0 1 339.418 2.821 10 10 EFCEMN CCOCc1nc([C@H](C)NCc2cc(Cl)c(F)cc2O)no1 ZINC000293859485 475054993 /nfs/dbraw/zinc/05/49/93/475054993.db2.gz IEUIFBGUAIEYOV-QMMMGPOBSA-N 0 1 329.759 2.955 10 10 EFCEMN CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000294619580 475075437 /nfs/dbraw/zinc/07/54/37/475075437.db2.gz JCJVAZVNMBFCLX-LLVKDONJSA-N 0 1 335.828 2.584 10 10 EFCEMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294766305 475081660 /nfs/dbraw/zinc/08/16/60/475081660.db2.gz SNESSTIXZOLLKC-LBPRGKRZSA-N 0 1 342.842 2.870 10 10 EFCEMN Cc1cc(Cl)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000294923278 475092486 /nfs/dbraw/zinc/09/24/86/475092486.db2.gz BBBUVWZEKQOLMJ-OAHLLOKOSA-N 0 1 337.851 2.937 10 10 EFCEMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295321357 475120176 /nfs/dbraw/zinc/12/01/76/475120176.db2.gz LJNBZQZHBRTTJW-LLVKDONJSA-N 0 1 328.815 2.923 10 10 EFCEMN CCOc1ccc(O)c(CNCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000292697839 475156365 /nfs/dbraw/zinc/15/63/65/475156365.db2.gz BZUKVCANMPSTSO-UHFFFAOYSA-N 0 1 342.443 2.779 10 10 EFCEMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(c2cnccn2)CC1 ZINC000369490021 476420439 /nfs/dbraw/zinc/42/04/39/476420439.db2.gz MIXNOBBCOOOJOL-UHFFFAOYSA-N 0 1 332.835 2.936 10 10 EFCEMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(c2cnccn2)CC1 ZINC000369490021 476420444 /nfs/dbraw/zinc/42/04/44/476420444.db2.gz MIXNOBBCOOOJOL-UHFFFAOYSA-N 0 1 332.835 2.936 10 10 EFCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(F)F)C1 ZINC000435811774 477376391 /nfs/dbraw/zinc/37/63/91/477376391.db2.gz XLXBFYKCKBWCHV-UHFFFAOYSA-N 0 1 335.398 2.789 10 10 EFCEMN Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C(C)C ZINC000530109230 477876629 /nfs/dbraw/zinc/87/66/29/477876629.db2.gz YOLRABMFCZKXPV-CVEARBPZSA-N 0 1 337.485 2.976 10 10 EFCEMN COc1ccc(CC[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000527792637 478519950 /nfs/dbraw/zinc/51/99/50/478519950.db2.gz DKVLIVLGXJOVFT-UHFFFAOYSA-N 0 1 337.217 2.891 10 10 EFCEMN CCCN(Cc1ccccc1O)C(=O)CCSc1nnc(C)[nH]1 ZINC000177137057 528147000 /nfs/dbraw/zinc/14/70/00/528147000.db2.gz DWSCBDFGLVXCLY-UHFFFAOYSA-N 0 1 334.445 2.740 10 10 EFCEMN CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c([O-])ccc4ccncc43)[C@H]2C1 ZINC000754797326 575492453 /nfs/dbraw/zinc/49/24/53/575492453.db2.gz NTIDTXIXDRCFAG-DKSSEZFCSA-N 0 1 328.412 2.709 10 10 EFCEMN CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c([O-])ccc4ccncc43)[C@H]2C1 ZINC000754797326 575492456 /nfs/dbraw/zinc/49/24/56/575492456.db2.gz NTIDTXIXDRCFAG-DKSSEZFCSA-N 0 1 328.412 2.709 10 10 EFCEMN C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Cl)ccc1[O-] ZINC000756780843 575786222 /nfs/dbraw/zinc/78/62/22/575786222.db2.gz WLARVPCUKXUWDX-LLVKDONJSA-N 0 1 331.865 2.911 10 10 EFCEMN C[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)CS(C)(=O)=O ZINC000757842822 575854364 /nfs/dbraw/zinc/85/43/64/575854364.db2.gz FBJOUJORWBJWPA-CQSZACIVSA-N 0 1 325.474 2.818 10 10 EFCEMN C[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)CS(C)(=O)=O ZINC000757842822 575854365 /nfs/dbraw/zinc/85/43/65/575854365.db2.gz FBJOUJORWBJWPA-CQSZACIVSA-N 0 1 325.474 2.818 10 10 EFCEMN Oc1cc2c(cc1CN1CCN(c3ncccc3F)CC1)CCC2 ZINC000761298920 576142448 /nfs/dbraw/zinc/14/24/48/576142448.db2.gz KDVPRDYZHOEWPG-UHFFFAOYSA-N 0 1 327.403 2.737 10 10 EFCEMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000766046997 577101340 /nfs/dbraw/zinc/10/13/40/577101340.db2.gz AEKMXIUYCPAHTN-UHFFFAOYSA-N 0 1 342.376 2.944 10 10 EFCEMN CCOc1ccc(CN[C@@H](C)c2nnc3n2CCCCC3)c(O)c1 ZINC000725845326 577246557 /nfs/dbraw/zinc/24/65/57/577246557.db2.gz WNNBNWOLCPPMJJ-ZDUSSCGKSA-N 0 1 330.432 2.960 10 10 EFCEMN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448301 577274859 /nfs/dbraw/zinc/27/48/59/577274859.db2.gz BTSXAESHNBIJMP-CFSSXQINSA-N 0 1 341.407 2.780 10 10 EFCEMN 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328.206 2.840 10 10 EFCEMN C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1C(=O)[O-] ZINC000818631636 1276541138 /nfs/dbraw/zinc/54/11/38/1276541138.db2.gz LTWINCHSTALUFI-SKDRFNHKSA-N 0 1 328.206 2.840 10 10 EFCEMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C(=O)[O-] ZINC000818631674 1276542052 /nfs/dbraw/zinc/54/20/52/1276542052.db2.gz MPEVWRJUQVYKSP-NOZJJQNGSA-N 0 1 328.206 2.840 10 10 EFCEMN COc1ccc(N2CCN(C[C@H](O)CC3CCCC3)CC2)cc1F ZINC000789327916 1276659112 /nfs/dbraw/zinc/65/91/12/1276659112.db2.gz RFKFECOPDMFVEM-QGZVFWFLSA-N 0 1 336.451 2.898 10 10 EFCEMN CCN(C)c1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000815120086 1287314136 /nfs/dbraw/zinc/31/41/36/1287314136.db2.gz ACTPMXICUCZPOQ-GOSISDBHSA-N 0 1 338.517 2.932 10 10 EFCEMN Cc1cc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1N(C)C ZINC000815095782 1287321956 /nfs/dbraw/zinc/32/19/56/1287321956.db2.gz UJLWPXJLOQERHF-UHFFFAOYSA-N 0 1 339.487 2.984 10 10 EFCEMN O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2oc3ccccc3c2cc1[O-] ZINC000844742318 1279211649 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CCOCc1cc(C[NH2+][C@@H](CC)c2nc(C(=O)[O-])c[nH]2)ccc1OC ZINC000904064778 1324863419 /nfs/dbraw/zinc/86/34/19/1324863419.db2.gz MOAPTDZFVMRWCZ-AWEZNQCLSA-N 0 1 347.415 2.894 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)N3CCCC(C)(C)C3)cc2)CC1 ZINC001313211750 1325008969 /nfs/dbraw/zinc/00/89/69/1325008969.db2.gz KHGIXBPIHOUANF-UHFFFAOYSA-N 0 1 344.503 2.770 10 10 EFCEMN Cc1cc([O-])c(C[NH2+]C[C@H](CO)CC2CCOCC2)c(Cl)c1 ZINC001327395307 1330471696 /nfs/dbraw/zinc/47/16/96/1330471696.db2.gz VLASIWMEFUZCAC-CQSZACIVSA-N 0 1 327.852 2.869 10 10 EFCEMN CN(C)c1ccc(/C=C\CNC2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001332029558 1330906949 /nfs/dbraw/zinc/90/69/49/1330906949.db2.gz KCAFCLOICFFXOM-HYXAFXHYSA-N 0 1 345.487 2.685 10 10 EFCEMN CN(C)c1ccc(/C=C\C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC001332029558 1330906953 /nfs/dbraw/zinc/90/69/53/1330906953.db2.gz KCAFCLOICFFXOM-HYXAFXHYSA-N 0 1 345.487 2.685 10 10 EFCEMN CC(C)(C(=O)NCc1ccc(N2CCCCC2)cc1)c1cnc[nH]1 ZINC000848226429 1334479595 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CCN(CC)c1ccc(CN(C)C(=O)CCN2CC[C@H](F)C2)cc1 ZINC001463773292 1396520137 /nfs/dbraw/zinc/52/01/37/1396520137.db2.gz AWGCSYZOPLTSRD-KRWDZBQOSA-N 0 1 335.467 2.925 10 10 EFCEMN Cc1cc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC001466289636 1396745508 /nfs/dbraw/zinc/74/55/08/1396745508.db2.gz AUFIGCKXZJZOHE-KRWDZBQOSA-N 0 1 343.427 2.564 10 10 EFCEMN O=C(NCc1ccc2cccnc2c1O)c1c[nH]c2ccccc2c1=O ZINC001469248628 1397016003 /nfs/dbraw/zinc/01/60/03/1397016003.db2.gz JQQOLTNEMDCKJJ-UHFFFAOYSA-N 0 1 345.358 2.712 10 10 EFCEMN COc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001556884447 1415093556 /nfs/dbraw/zinc/09/35/56/1415093556.db2.gz AQJUVDOFMWLAGV-UHFFFAOYSA-N 0 1 341.194 2.962 10 10 EFCEMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC001557063768 1415103504 /nfs/dbraw/zinc/10/35/04/1415103504.db2.gz YVDPAVRUJOBYSJ-MAUKXSAKSA-N 0 1 331.504 2.981 10 10 EFCEMN O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1c(F)ccc(O)c1O ZINC001558940193 1415212736 /nfs/dbraw/zinc/21/27/36/1415212736.db2.gz 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330.384 2.520 10 10 EFCEMN O=C(NCc1ccc(O)c(O)c1)c1cccc2nc(C(F)F)[nH]c21 ZINC001635959646 1100689574 /nfs/dbraw/zinc/68/95/74/1100689574.db2.gz LTGPISJDPMTTCC-UHFFFAOYSA-N 0 1 333.294 2.842 10 10 EFCEMN CCN1CC[C@H]1CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001636657684 1100732002 /nfs/dbraw/zinc/73/20/02/1100732002.db2.gz SMBNVGKODANQKJ-IBGZPJMESA-N 0 1 339.439 2.731 10 10 EFCEMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c([O-])c2)[NH+](C)C)cc1 ZINC001637004777 1100750381 /nfs/dbraw/zinc/75/03/81/1100750381.db2.gz OXROBPJKSSQBOY-KRWDZBQOSA-N 0 1 345.418 2.630 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)NC3C(C)(C)C3(C)C)cc2)CC1 ZINC001638007237 1100825299 /nfs/dbraw/zinc/82/52/99/1100825299.db2.gz IQKKYEXEGUKCEB-UHFFFAOYSA-N 0 1 344.503 2.672 10 10 EFCEMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273215 1100845789 /nfs/dbraw/zinc/84/57/89/1100845789.db2.gz RUQDBMTWVXLRQQ-CYBMUJFWSA-N 0 1 346.394 2.937 10 10 EFCEMN O=C(NCc1cc(Cl)ccc1O)c1cn[nH]c1-c1ccccn1 ZINC001639965086 1100999646 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ZINC000180101446 473798544 /nfs/dbraw/zinc/79/85/44/473798544.db2.gz QXTFJSBKLNHNJV-LLVKDONJSA-N 0 1 336.823 2.616 10 10 EFCEMN Cc1noc([C@@H](C)N2CCN(Cc3cccc(Cl)c3O)CC2)n1 ZINC000180101446 473798551 /nfs/dbraw/zinc/79/85/51/473798551.db2.gz QXTFJSBKLNHNJV-LLVKDONJSA-N 0 1 336.823 2.616 10 10 EFCEMN Oc1cccc(Cl)c1CNCc1cccc(N2CCOCC2)n1 ZINC000274849121 473988129 /nfs/dbraw/zinc/98/81/29/473988129.db2.gz XSMJZDRJPHCOGC-UHFFFAOYSA-N 0 1 333.819 2.567 10 10 EFCEMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274849121 473988133 /nfs/dbraw/zinc/98/81/33/473988133.db2.gz XSMJZDRJPHCOGC-UHFFFAOYSA-N 0 1 333.819 2.567 10 10 EFCEMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000264587218 474049820 /nfs/dbraw/zinc/04/98/20/474049820.db2.gz FHHCOMYYJDLJOF-ZDUSSCGKSA-N 0 1 341.411 2.810 10 10 EFCEMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1 ZINC000213613236 474135693 /nfs/dbraw/zinc/13/56/93/474135693.db2.gz WDLPXCPUCHUANI-GXDHUFHOSA-N 0 1 341.367 2.569 10 10 EFCEMN CCOc1ccc(O)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189915206 474506244 /nfs/dbraw/zinc/50/62/44/474506244.db2.gz CHFVRAYVCREFHE-UHFFFAOYSA-N 0 1 342.443 2.714 10 10 EFCEMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700599 /nfs/dbraw/zinc/70/05/99/474700599.db2.gz AOHFAVDISHUWFG-IUODEOHRSA-N 0 1 346.387 2.589 10 10 EFCEMN COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278566665 474708466 /nfs/dbraw/zinc/70/84/66/474708466.db2.gz BYVRYBVNJNQXEA-AWEZNQCLSA-N 0 1 332.356 2.786 10 10 EFCEMN Cc1cc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)on1 ZINC000294898764 475090550 /nfs/dbraw/zinc/09/05/50/475090550.db2.gz MHQPHKUMJWALDI-UHFFFAOYSA-N 0 1 339.798 2.799 10 10 EFCEMN COCc1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000349925484 476020099 /nfs/dbraw/zinc/02/00/99/476020099.db2.gz CQPQFANPAZYZHB-UHFFFAOYSA-N 0 1 340.427 2.986 10 10 EFCEMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373587213 476416562 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10 10 EFCEMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000437008755 477662143 /nfs/dbraw/zinc/66/21/43/477662143.db2.gz VLYCJAWKXRAECC-UHFFFAOYSA-N 0 1 349.390 2.633 10 10 EFCEMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCF)C1 ZINC000517009257 478032110 /nfs/dbraw/zinc/03/21/10/478032110.db2.gz GSVCCSZNYOLLCE-UHFFFAOYSA-N 0 1 331.435 2.884 10 10 EFCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCF)C1 ZINC000517009257 478032120 /nfs/dbraw/zinc/03/21/20/478032120.db2.gz GSVCCSZNYOLLCE-UHFFFAOYSA-N 0 1 331.435 2.884 10 10 EFCEMN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000527954408 478587542 /nfs/dbraw/zinc/58/75/42/478587542.db2.gz JRCMFUGXVNTWLT-NWANDNLSSA-N 0 1 344.249 2.735 10 10 EFCEMN CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000529662550 479237344 /nfs/dbraw/zinc/23/73/44/479237344.db2.gz HKQJGVJJXWOCJL-UHFFFAOYSA-N 0 1 342.842 2.871 10 10 EFCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000177189284 527206085 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Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001136743454 1289336170 /nfs/dbraw/zinc/33/61/70/1289336170.db2.gz RTPOHZOZGJDTLD-UHFFFAOYSA-N 0 1 349.438 2.700 10 10 EFCEMN COc1cc(Br)cc(CN[C@H]2CCn3ccnc32)c1O ZINC000824521741 1289681278 /nfs/dbraw/zinc/68/12/78/1289681278.db2.gz NVAVNMVQIGMKCW-NSHDSACASA-N 0 1 338.205 2.594 10 10 EFCEMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501086 1289690263 /nfs/dbraw/zinc/69/02/63/1289690263.db2.gz CWZZVQSBLZFGIG-KGLIPLIRSA-N 0 1 331.243 2.604 10 10 EFCEMN CCC(=O)N1CCc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc21 ZINC001184370292 1290456653 /nfs/dbraw/zinc/45/66/53/1290456653.db2.gz PGNIHHFRLHOWJT-UHFFFAOYSA-N 0 1 344.342 2.788 10 10 EFCEMN NC(=O)c1cc(NCc2cc(Cl)cc(Cl)c2O)nc(Cl)n1 ZINC001186626190 1290988576 /nfs/dbraw/zinc/98/85/76/1290988576.db2.gz FTFYGQBKWKLOKF-UHFFFAOYSA-N 0 1 347.589 2.853 10 10 EFCEMN COc1ccc(N2CC[C@@H](NCc3cc(OC)cnc3F)C2)cc1 ZINC000877621647 1291294684 /nfs/dbraw/zinc/29/46/84/1291294684.db2.gz YYBATQIVHSHBLC-CQSZACIVSA-N 0 1 331.391 2.606 10 10 EFCEMN CCOc1ccc(O)c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000775177672 1291408414 /nfs/dbraw/zinc/40/84/14/1291408414.db2.gz BWCWGPSLFVNRGE-UHFFFAOYSA-N 0 1 342.355 2.865 10 10 EFCEMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043018 1291687103 /nfs/dbraw/zinc/68/71/03/1291687103.db2.gz CSVYNJBWZGSLMR-BJJXKVORSA-N 0 1 325.836 2.716 10 10 EFCEMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043018 1291687112 /nfs/dbraw/zinc/68/71/12/1291687112.db2.gz CSVYNJBWZGSLMR-BJJXKVORSA-N 0 1 325.836 2.716 10 10 EFCEMN CCO[C@@H]1C[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165877 1292486645 /nfs/dbraw/zinc/48/66/45/1292486645.db2.gz YWZYXLHZOTYIHF-ZWKOTPCHSA-N 0 1 347.503 2.504 10 10 EFCEMN Cc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000881851362 1293027972 /nfs/dbraw/zinc/02/79/72/1293027972.db2.gz JCLDTIYESRJHQC-UHFFFAOYSA-N 0 1 343.496 2.667 10 10 EFCEMN CC[C@H]([NH2+]CC[S@](=O)CC)c1cc(Br)ccc1[O-] ZINC000132474491 1293665403 /nfs/dbraw/zinc/66/54/03/1293665403.db2.gz RJYYPKROTPFGBI-SGTLLEGYSA-N 0 1 334.279 2.964 10 10 EFCEMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012389 1295680649 /nfs/dbraw/zinc/68/06/49/1295680649.db2.gz GGVFVARSZYFOAQ-STQMWFEESA-N 0 1 345.798 2.727 10 10 EFCEMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012382 1295680950 /nfs/dbraw/zinc/68/09/50/1295680950.db2.gz GGVFVARSZYFOAQ-CHWSQXEVSA-N 0 1 345.798 2.727 10 10 EFCEMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000852882435 1299925608 /nfs/dbraw/zinc/92/56/08/1299925608.db2.gz GZQARQPQZPWFJJ-UHFFFAOYSA-N 0 1 330.432 2.597 10 10 EFCEMN NC(=O)c1cccc2c1CCN(Cc1cc3c(cc1O)CCCC3)C2 ZINC000853622181 1300198063 /nfs/dbraw/zinc/19/80/63/1300198063.db2.gz SXCPATAOAWVONF-UHFFFAOYSA-N 0 1 336.435 2.928 10 10 EFCEMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001327816479 1330518355 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CC(C)[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CCC(=O)N1 ZINC000862395287 1302367415 /nfs/dbraw/zinc/36/74/15/1302367415.db2.gz ZCRCRHNZEUKCAK-LLVKDONJSA-N 0 1 341.249 2.644 10 10 EFCEMN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000862490059 1302400696 /nfs/dbraw/zinc/40/06/96/1302400696.db2.gz VXUALCONSDIOLQ-NSHDSACASA-N 0 1 340.217 2.896 10 10 EFCEMN CN(C)c1ccc(C=CCNCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC000865686837 1303366684 /nfs/dbraw/zinc/36/66/84/1303366684.db2.gz TVFUWGMJLAMQIY-ONEGZZNKSA-N 0 1 341.459 2.568 10 10 EFCEMN C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000903155439 1312415417 /nfs/dbraw/zinc/41/54/17/1312415417.db2.gz XRVCPCFLNAENHX-DCBWTQNWSA-N 0 1 329.437 2.785 10 10 EFCEMN C[C@@H]1C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2[O-] ZINC000903346463 1312586219 /nfs/dbraw/zinc/58/62/19/1312586219.db2.gz HJQDFWODRZEHAU-TZMCWYRMSA-N 0 1 335.419 2.991 10 10 EFCEMN CC/C=C(/F)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001290319734 1321898285 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CN(C)c1ccc(/C=C\C[N@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000901967479 1324762992 /nfs/dbraw/zinc/76/29/92/1324762992.db2.gz XOOFLOCZIUJMBJ-CGXNLCPXSA-N 0 1 342.361 2.961 10 10 EFCEMN Cc1cc(CN2C[C@@H](CO)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001307856768 1324783710 /nfs/dbraw/zinc/78/37/10/1324783710.db2.gz KQGGKWMFFPICGG-SFHVURJKSA-N 0 1 332.488 2.957 10 10 EFCEMN Cc1cc(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022496 1324790028 /nfs/dbraw/zinc/79/00/28/1324790028.db2.gz NIFRHRPJSJEFHE-INIZCTEOSA-N 0 1 343.393 2.704 10 10 EFCEMN c1nn(-c2ccncc2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC001308242000 1324804093 /nfs/dbraw/zinc/80/40/93/1324804093.db2.gz BBPPYEPWHPCMRN-UHFFFAOYSA-N 0 1 335.411 2.716 10 10 EFCEMN CN(C/C=C/Cl)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001316866992 1324994293 /nfs/dbraw/zinc/99/42/93/1324994293.db2.gz FSRGTAIFWJXNKG-JECIBBIKSA-N 0 1 337.811 2.653 10 10 EFCEMN CC[C@H]([NH2+]CCOCCCO)c1cc(Br)ccc1[O-] ZINC001321856080 1329413070 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C[C@@H](NC(=O)c1ccc(CN(C)C)nc1)c1ccc(N(C)C)cc1 ZINC001556260199 1415060886 /nfs/dbraw/zinc/06/08/86/1415060886.db2.gz DCAZJWBPRYZITM-CQSZACIVSA-N 0 1 326.444 2.700 10 10 EFCEMN Cc1nnc(-c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)o1 ZINC001558937361 1415212115 /nfs/dbraw/zinc/21/21/15/1415212115.db2.gz GFYWYYGIVUPMPT-UHFFFAOYSA-N 0 1 329.287 2.848 10 10 EFCEMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001686826516 1416810881 /nfs/dbraw/zinc/81/08/81/1416810881.db2.gz KDRBAAWSXPVBGG-ZACQAIPSSA-N 0 1 346.519 2.726 10 10 EFCEMN O=C(c1cccnc1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000179492629 1426304609 /nfs/dbraw/zinc/30/46/09/1426304609.db2.gz CMTTXOVMFJFPDH-UHFFFAOYSA-N 0 1 347.418 2.898 10 10 EFCEMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NC[C@H]1CCCO1 ZINC000806599867 713455480 /nfs/dbraw/zinc/45/54/80/713455480.db2.gz ZVEGZIDORSZNIF-SNVBAGLBSA-N 0 1 335.256 2.842 10 10 EFCEMN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000161485307 715936432 /nfs/dbraw/zinc/93/64/32/715936432.db2.gz AMEKQFJYMDFCKU-UHFFFAOYSA-N 0 1 349.394 2.561 10 10 EFCEMN COC(=O)c1c(CN2C[C@H]3COC[C@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274302 723967689 /nfs/dbraw/zinc/96/76/89/723967689.db2.gz HXJBYHMRDOCLKF-BUXKBTBVSA-N 0 1 346.402 2.572 10 10 EFCEMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000005010156 717704133 /nfs/dbraw/zinc/70/41/33/717704133.db2.gz YIVJAZTWKNFNJU-DHDCSXOGSA-N 0 1 337.335 2.673 10 10 EFCEMN CC(C)O[C@@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CCOC1 ZINC000722340303 717826285 /nfs/dbraw/zinc/82/62/85/717826285.db2.gz QUTLJVSBVGVIMW-OAHLLOKOSA-N 0 1 344.249 2.828 10 10 EFCEMN COC(=O)c1c(CN2CCC[C@@H](CCO)C2)c2cc(F)ccc2n1C ZINC000894004395 720218089 /nfs/dbraw/zinc/21/80/89/720218089.db2.gz OXDUORWXGZDMRK-ZDUSSCGKSA-N 0 1 348.418 2.698 10 10 EFCEMN Oc1ccc(F)cc1CNCc1nc(COc2ccccc2)n[nH]1 ZINC000186475020 720467938 /nfs/dbraw/zinc/46/79/38/720467938.db2.gz OOXQXHCWKHVZQN-UHFFFAOYSA-N 0 1 328.347 2.518 10 10 EFCEMN COC(=O)c1c(CN2CCC(C)(CO)CC2)c2cc(F)ccc2n1C ZINC000894469300 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ZINC000895274304 723967734 /nfs/dbraw/zinc/96/77/34/723967734.db2.gz HXJBYHMRDOCLKF-CWTRNNRKSA-N 0 1 346.402 2.572 10 10 EFCEMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2F)CC1 ZINC000127274119 724499188 /nfs/dbraw/zinc/49/91/88/724499188.db2.gz RIEXHKGCKRKOSB-HNNXBMFYSA-N 0 1 333.451 2.630 10 10 EFCEMN COC(=O)c1c(CN2CCC[C@H]([C@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421658 722732267 /nfs/dbraw/zinc/73/22/67/722732267.db2.gz FMFJSWGAGVTMTN-STQMWFEESA-N 0 1 348.418 2.697 10 10 EFCEMN COC(=O)c1c(CN2CC([C@H]3CCOC3)C2)c2cc(F)ccc2n1C ZINC000894604860 722790790 /nfs/dbraw/zinc/79/07/90/722790790.db2.gz RHWOKRIUGWNQND-LBPRGKRZSA-N 0 1 346.402 2.572 10 10 EFCEMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894881017 722937437 /nfs/dbraw/zinc/93/74/37/722937437.db2.gz KHRMNZXBEHLZDJ-RNCFNFMXSA-N 0 1 332.213 2.887 10 10 EFCEMN C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916006 723027900 /nfs/dbraw/zinc/02/79/00/723027900.db2.gz HPUFUZLCCJELND-JTQLQIEISA-N 0 1 338.320 2.986 10 10 EFCEMN O=C(NCCCSc1nccs1)N1CCN2CCCC[C@H]2C1 ZINC000154597967 728816854 /nfs/dbraw/zinc/81/68/54/728816854.db2.gz ROJVFKNAEYTDIE-ZDUSSCGKSA-N 0 1 340.518 2.505 10 10 EFCEMN O=C(NCCCSc1nccs1)N1CCN2CCCC[C@@H]2C1 ZINC000154597854 728817064 /nfs/dbraw/zinc/81/70/64/728817064.db2.gz ROJVFKNAEYTDIE-CYBMUJFWSA-N 0 1 340.518 2.505 10 10 EFCEMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895477995 724154323 /nfs/dbraw/zinc/15/43/23/724154323.db2.gz RSMDYPPHTPPXHX-JTQLQIEISA-N 0 1 332.213 2.887 10 10 EFCEMN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)c(F)cc1O ZINC000895593010 724218750 /nfs/dbraw/zinc/21/87/50/724218750.db2.gz PLUIAKCHKWYOQZ-CQSZACIVSA-N 0 1 345.798 2.633 10 10 EFCEMN CN(C)c1ccc(CN(C(=O)c2c[nH]cc3ncnc2-3)C2CC2)cc1 ZINC000895633716 724227793 /nfs/dbraw/zinc/22/77/93/724227793.db2.gz RCXAICKJKBUXEK-UHFFFAOYSA-N 0 1 335.411 2.829 10 10 EFCEMN COC(=O)c1c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895776260 724309724 /nfs/dbraw/zinc/30/97/24/724309724.db2.gz AWOHNMTZNMPGJR-TXEJJXNPSA-N 0 1 348.443 2.899 10 10 EFCEMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895848194 724348906 /nfs/dbraw/zinc/34/89/06/724348906.db2.gz XYERTBSYCBQLJY-IINYFYTJSA-N 0 1 326.780 2.955 10 10 EFCEMN COC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000895859160 724355687 /nfs/dbraw/zinc/35/56/87/724355687.db2.gz MYOPJZZQUZXPKE-TZMCWYRMSA-N 0 1 344.249 2.686 10 10 EFCEMN CN(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC000913890257 725922879 /nfs/dbraw/zinc/92/28/79/725922879.db2.gz PWYLMXBVIMQZLF-INIZCTEOSA-N 0 1 349.381 2.773 10 10 EFCEMN CN(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC000914271611 726209407 /nfs/dbraw/zinc/20/94/07/726209407.db2.gz XBSLFJDPZGSKCJ-MRXNPFEDSA-N 0 1 349.381 2.773 10 10 EFCEMN C[C@H](NC(=O)c1cccc2nc(CO)[nH]c21)c1ccc(N(C)C)cc1 ZINC000907493391 726953803 /nfs/dbraw/zinc/95/38/03/726953803.db2.gz RAZWWNOYERNRJC-LBPRGKRZSA-N 0 1 338.411 2.612 10 10 EFCEMN Cc1ncc(CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)s1 ZINC000171890254 728559214 /nfs/dbraw/zinc/55/92/14/728559214.db2.gz YIXALRZVQYPOSH-UHFFFAOYSA-N 0 1 343.496 2.964 10 10 EFCEMN CC(C)(O)COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001648587198 1092235647 /nfs/dbraw/zinc/23/56/47/1092235647.db2.gz GBSPXKLNQMLQQC-UHFFFAOYSA-N 0 1 335.331 2.639 10 10 EFCEMN C[C@H](Cc1ccsc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167582113 1092881103 /nfs/dbraw/zinc/88/11/03/1092881103.db2.gz KOJRXPHVLBMUEV-OAHLLOKOSA-N 0 1 345.512 2.993 10 10 EFCEMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690797460 1094459951 /nfs/dbraw/zinc/45/99/51/1094459951.db2.gz AKWDPLQITPZEGZ-YPMHNXCESA-N 0 1 326.234 2.931 10 10 EFCEMN COC(=O)c1nccnc1NCc1cc(Cl)cc(Cl)c1O ZINC001612448841 1099057446 /nfs/dbraw/zinc/05/74/46/1099057446.db2.gz XDQHJSXBSZHEMQ-UHFFFAOYSA-N 0 1 328.155 2.888 10 10 EFCEMN COc1ccc(N(C)CCN(C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001619656160 1099331595 /nfs/dbraw/zinc/33/15/95/1099331595.db2.gz FYFBGDGMHCHOMI-UHFFFAOYSA-N 0 1 349.475 2.683 10 10 EFCEMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001626413857 1099872800 /nfs/dbraw/zinc/87/28/00/1099872800.db2.gz BYSNSXWDFJUWSP-QHHAFSJGSA-N 0 1 340.314 2.674 10 10 EFCEMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000781899968 1099957329 /nfs/dbraw/zinc/95/73/29/1099957329.db2.gz HWGOLCRPZZQQCH-LBPRGKRZSA-N 0 1 341.249 2.693 10 10 EFCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2nccn2c1 ZINC001637134150 1100759579 /nfs/dbraw/zinc/75/95/79/1100759579.db2.gz LSONJXXVEMWPGO-UHFFFAOYSA-N 0 1 337.166 2.672 10 10 EFCEMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273216 1100845826 /nfs/dbraw/zinc/84/58/26/1100845826.db2.gz RUQDBMTWVXLRQQ-ZDUSSCGKSA-N 0 1 346.394 2.937 10 10 EFCEMN CN(C)c1ccc(CNC(=O)CN2CCC(C3CCC3)CC2)cc1 ZINC001655006480 1101776724 /nfs/dbraw/zinc/77/67/24/1101776724.db2.gz AHSNXXZZTMLMJD-UHFFFAOYSA-N 0 1 329.488 2.881 10 10 EFCEMN C[C@]1([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccncc43)C2)COC(=O)N1 ZINC000905705995 1103517209 /nfs/dbraw/zinc/51/72/09/1103517209.db2.gz DMAIHIMHFMDFSO-AUUYWEPGSA-N 0 1 341.411 2.651 10 10 EFCEMN C[C@]1([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)COC(=O)N1 ZINC000905705995 1103517218 /nfs/dbraw/zinc/51/72/18/1103517218.db2.gz DMAIHIMHFMDFSO-AUUYWEPGSA-N 0 1 341.411 2.651 10 10 EFCEMN CC[C@@H]1CN(C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897631187 1106005841 /nfs/dbraw/zinc/00/58/41/1106005841.db2.gz RXZRGOLUNNAHNI-GFCCVEGCSA-N 0 1 334.441 2.869 10 10 EFCEMN C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC001673572946 1106050256 /nfs/dbraw/zinc/05/02/56/1106050256.db2.gz QTZRTZYABTVIBU-INIZCTEOSA-N 0 1 344.503 2.816 10 10 EFCEMN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN(C2CC2)C1 ZINC000897863801 1106122028 /nfs/dbraw/zinc/12/20/28/1106122028.db2.gz IGNDSVGWLYNCSD-LLVKDONJSA-N 0 1 346.452 2.869 10 10 EFCEMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC000897983898 1106185591 /nfs/dbraw/zinc/18/55/91/1106185591.db2.gz NPIIUKFQUCUYIK-CYBMUJFWSA-N 0 1 337.427 2.693 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)N3C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001675580014 1106388332 /nfs/dbraw/zinc/38/83/32/1106388332.db2.gz HMFNTIANCLKONA-IEBWSBKVSA-N 0 1 342.487 2.522 10 10 EFCEMN CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cc(Br)ccc1[O-] ZINC000697921511 1109223288 /nfs/dbraw/zinc/22/32/88/1109223288.db2.gz WAIXDNOBRORYCZ-NEPJUHHUSA-N 0 1 329.238 2.720 10 10 EFCEMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153367842 1111380781 /nfs/dbraw/zinc/38/07/81/1111380781.db2.gz QEKCVPXDLIINDP-UHFFFAOYSA-N 0 1 332.323 2.774 10 10 EFCEMN C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)cc1[O-] ZINC000190644473 239934297 /nfs/dbraw/zinc/93/42/97/239934297.db2.gz XAZKXMPPHAFTNC-JTQLQIEISA-N 0 1 330.222 2.958 10 10 EFCEMN O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 ZINC000191771906 240004860 /nfs/dbraw/zinc/00/48/60/240004860.db2.gz YZNFRYQGDZPGDR-SFHVURJKSA-N 0 1 340.398 2.651 10 10 EFCEMN COc1ccc(NS(=O)(=O)c2c3nsnc3ccc2C)cc1 ZINC000000175891 201444173 /nfs/dbraw/zinc/44/41/73/201444173.db2.gz RYVRJVCOFPVUBL-UHFFFAOYSA-N 0 1 335.410 2.809 10 10 EFCEMN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000273409067 240696147 /nfs/dbraw/zinc/69/61/47/240696147.db2.gz PFHNYGHLQRWWDM-WKEGUHRASA-N 0 1 328.128 2.729 10 10 EFCEMN Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCC2)cc1 ZINC000058404164 472564077 /nfs/dbraw/zinc/56/40/77/472564077.db2.gz ZDBJWIZCOCODTN-UHFFFAOYSA-N 0 1 327.476 2.685 10 10 EFCEMN CCc1noc([C@H](C)N2CCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000112071158 473241390 /nfs/dbraw/zinc/24/13/90/473241390.db2.gz MCSHTZZJSXZHHH-HNNXBMFYSA-N 0 1 344.459 2.833 10 10 EFCEMN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1[O-] ZINC000185025332 473304537 /nfs/dbraw/zinc/30/45/37/473304537.db2.gz KDOFDABXIGAISC-LLVKDONJSA-N 0 1 329.791 2.872 10 10 EFCEMN Cc1cc(C[C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)n[nH]1 ZINC000124925719 473326682 /nfs/dbraw/zinc/32/66/82/473326682.db2.gz APCIMSJMMSSXTN-LBPRGKRZSA-N 0 1 342.443 2.733 10 10 EFCEMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)cc3O)C2=O)cc1Cl ZINC000005173445 471489606 /nfs/dbraw/zinc/48/96/06/471489606.db2.gz GKCNQMLPOJMKGO-MLPAPPSSSA-N 0 1 344.754 2.521 10 10 EFCEMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000007219145 471598671 /nfs/dbraw/zinc/59/86/71/471598671.db2.gz FGUTZVOIXSQVOX-ZDUSSCGKSA-N 0 1 347.409 2.998 10 10 EFCEMN C[C@H](NC(=O)c1ccccc1O)c1ccc(N2CCN(C)CC2)cc1 ZINC000055709765 472227679 /nfs/dbraw/zinc/22/76/79/472227679.db2.gz NVZAHSLFKKAVTD-HNNXBMFYSA-N 0 1 339.439 2.635 10 10 EFCEMN COc1ccc(OC)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000043630191 472248946 /nfs/dbraw/zinc/24/89/46/472248946.db2.gz HOULTABFHNDBGN-UHFFFAOYSA-N 0 1 342.439 2.830 10 10 EFCEMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(O)CCOCC1 ZINC000154170292 472397669 /nfs/dbraw/zinc/39/76/69/472397669.db2.gz YAYOZAIMHDFEDS-UHFFFAOYSA-N 0 1 344.249 2.518 10 10 EFCEMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(O)CCOCC1 ZINC000154170292 472397677 /nfs/dbraw/zinc/39/76/77/472397677.db2.gz YAYOZAIMHDFEDS-UHFFFAOYSA-N 0 1 344.249 2.518 10 10 EFCEMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000120205243 472648477 /nfs/dbraw/zinc/64/84/77/472648477.db2.gz QVSFQJXWCWNOPG-OAHLLOKOSA-N 0 1 332.835 2.936 10 10 EFCEMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000120205243 472648485 /nfs/dbraw/zinc/64/84/85/472648485.db2.gz QVSFQJXWCWNOPG-OAHLLOKOSA-N 0 1 332.835 2.936 10 10 EFCEMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000120205457 472649180 /nfs/dbraw/zinc/64/91/80/472649180.db2.gz QVSFQJXWCWNOPG-HNNXBMFYSA-N 0 1 332.835 2.936 10 10 EFCEMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000120205457 472649187 /nfs/dbraw/zinc/64/91/87/472649187.db2.gz QVSFQJXWCWNOPG-HNNXBMFYSA-N 0 1 332.835 2.936 10 10 EFCEMN C[C@@H](O)C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000120624514 472720131 /nfs/dbraw/zinc/72/01/31/472720131.db2.gz ZELVSZBTMMVMHK-WDEREUQCSA-N 0 1 333.259 2.586 10 10 EFCEMN COC(=O)[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000092643637 472948899 /nfs/dbraw/zinc/94/88/99/472948899.db2.gz 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CCCn1cc([C@@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046959 1312308713 /nfs/dbraw/zinc/30/87/13/1312308713.db2.gz DOGDHWOIZKVUAT-HUUCEWRRSA-N 0 1 329.448 2.626 10 10 EFCEMN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1[O-] ZINC000903216272 1312470492 /nfs/dbraw/zinc/47/04/92/1312470492.db2.gz XVGLKAWBRMWCNF-MNOVXSKESA-N 0 1 341.249 2.674 10 10 EFCEMN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1[O-] ZINC000903215821 1312470694 /nfs/dbraw/zinc/47/06/94/1312470694.db2.gz PDZJTJSGNZVSRT-GHMZBOCLSA-N 0 1 341.249 2.674 10 10 EFCEMN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1 ZINC000193334224 1315405207 /nfs/dbraw/zinc/40/52/07/1315405207.db2.gz MWCIXRNGZZBXPU-GASCZTMLSA-N 0 1 348.443 2.700 10 10 EFCEMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCC3(CCCCC3)C1)cc2=O ZINC000738702204 1321980726 /nfs/dbraw/zinc/98/07/26/1321980726.db2.gz GUSADXLFWDFOMV-UHFFFAOYSA-N 0 1 344.415 2.679 10 10 EFCEMN NC(=O)N=Nc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC001292683813 1322104398 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CN(C)c1ccc(/C=C/CNC2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001332029557 1330907058 /nfs/dbraw/zinc/90/70/58/1330907058.db2.gz KCAFCLOICFFXOM-HWKANZROSA-N 0 1 345.487 2.685 10 10 EFCEMN CN(C)c1ccc(/C=C/C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC001332029557 1330907060 /nfs/dbraw/zinc/90/70/60/1330907060.db2.gz KCAFCLOICFFXOM-HWKANZROSA-N 0 1 345.487 2.685 10 10 EFCEMN CCOC(=O)[C@@]1(F)CN(Cc2cccc(OC)c2O)C[C@@H]1CC ZINC001332739143 1331013491 /nfs/dbraw/zinc/01/34/91/1331013491.db2.gz PQRFEPTWGGWRBO-SUMWQHHRSA-N 0 1 325.380 2.514 10 10 EFCEMN CC(C)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001338326068 1331692228 /nfs/dbraw/zinc/69/22/28/1331692228.db2.gz FAFATGUACYDEHI-UHFFFAOYSA-N 0 1 334.441 2.869 10 10 EFCEMN CCc1cccc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000848913134 1334981933 /nfs/dbraw/zinc/98/19/33/1334981933.db2.gz PAENMDXYTQPARM-INIZCTEOSA-N 0 1 325.474 2.744 10 10 EFCEMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000935947914 1335465201 /nfs/dbraw/zinc/46/52/01/1335465201.db2.gz HPKUIKCCEGXGIV-AWEZNQCLSA-N 0 1 330.380 2.864 10 10 EFCEMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nnc(C)[nH]2)cc1 ZINC001443208540 1391449669 /nfs/dbraw/zinc/44/96/69/1391449669.db2.gz UYTGTFZRVODZNP-UHFFFAOYSA-N 0 1 337.383 2.514 10 10 EFCEMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ncn[nH]1 ZINC001446808510 1391609090 /nfs/dbraw/zinc/60/90/90/1391609090.db2.gz XOVRKWACWCMTJW-CQSZACIVSA-N 0 1 336.395 2.843 10 10 EFCEMN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC001455017584 1394516341 /nfs/dbraw/zinc/51/63/41/1394516341.db2.gz YFMWQQNFVOBFJQ-INIZCTEOSA-N 0 1 340.423 2.719 10 10 EFCEMN Cc1c(NC(=O)c2c(F)ccc(O)c2O)cnn1-c1ccccc1 ZINC001457717997 1395301928 /nfs/dbraw/zinc/30/19/28/1395301928.db2.gz PSMMHIINXCVFGC-UHFFFAOYSA-N 0 1 327.315 2.983 10 10 EFCEMN Cc1cc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)n[nH]1 ZINC001464259595 1396561368 /nfs/dbraw/zinc/56/13/68/1396561368.db2.gz JSWVJWSADWSAPK-UHFFFAOYSA-N 0 1 344.484 2.520 10 10 EFCEMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1CC[C@H](F)C1 ZINC001464349668 1396567196 /nfs/dbraw/zinc/56/71/96/1396567196.db2.gz YLTGHVRWJDEMQW-KRWDZBQOSA-N 0 1 335.467 2.924 10 10 EFCEMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1CC[C@@H](F)C1 ZINC001464349672 1396567264 /nfs/dbraw/zinc/56/72/64/1396567264.db2.gz YLTGHVRWJDEMQW-QGZVFWFLSA-N 0 1 335.467 2.924 10 10 EFCEMN CCN(CC)c1ccc(CNC(=O)Cc2n[nH]c(C3CC3)n2)cc1F ZINC001465002366 1396640355 /nfs/dbraw/zinc/64/03/55/1396640355.db2.gz GTONIJHPFIRYRL-UHFFFAOYSA-N 0 1 345.422 2.526 10 10 EFCEMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 ZINC001467769340 1396895763 /nfs/dbraw/zinc/89/57/63/1396895763.db2.gz AGAOUSPNAXUFAR-ZJUUUORDSA-N 0 1 343.391 2.972 10 10 EFCEMN CCn1c2cc(F)ccc2nc1NC(=O)c1c(F)ccc(O)c1O ZINC001472537997 1397261285 /nfs/dbraw/zinc/26/12/85/1397261285.db2.gz KNTVXYVPKHUDST-UHFFFAOYSA-N 0 1 333.294 2.998 10 10 EFCEMN O=C(NCCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1O ZINC001566369813 1415543336 /nfs/dbraw/zinc/54/33/36/1415543336.db2.gz WYJFPPPEKHSCQO-UHFFFAOYSA-N 0 1 341.285 2.795 10 10 EFCEMN 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349.475 2.732 10 10 EFCEMN Cc1cc(C[C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)n[nH]1 ZINC000161079800 718323510 /nfs/dbraw/zinc/32/35/10/718323510.db2.gz GPTBJWFCZYTTGT-NSHDSACASA-N 0 1 337.383 2.643 10 10 EFCEMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000935947906 718771818 /nfs/dbraw/zinc/77/18/18/718771818.db2.gz HJYHUUYYFIXQFH-UHFFFAOYSA-N 0 1 348.321 2.858 10 10 EFCEMN CC(C)[N@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000840977134 720007981 /nfs/dbraw/zinc/00/79/81/720007981.db2.gz SDRAJAPXIROIAG-LBPRGKRZSA-N 0 1 341.249 2.644 10 10 EFCEMN Cc1ccnc(N)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000893879024 720138726 /nfs/dbraw/zinc/13/87/26/720138726.db2.gz BYIWJPAKYNOYPT-MRXNPFEDSA-N 0 1 327.428 2.859 10 10 EFCEMN COC(=O)c1c(CN2CCC([C@@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000893993672 720200502 /nfs/dbraw/zinc/20/05/02/720200502.db2.gz DWAKBRKFMNPXHN-GFCCVEGCSA-N 0 1 348.418 2.697 10 10 EFCEMN CCOC[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894084006 720264413 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Cc1cc([O-])c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(Cl)c1 ZINC000895345902 724054295 /nfs/dbraw/zinc/05/42/95/724054295.db2.gz PURMNJIQYLPLOP-CYBMUJFWSA-N 0 1 337.851 2.734 10 10 EFCEMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895477996 724154455 /nfs/dbraw/zinc/15/44/55/724154455.db2.gz RSMDYPPHTPPXHX-SNVBAGLBSA-N 0 1 332.213 2.887 10 10 EFCEMN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895576531 724201909 /nfs/dbraw/zinc/20/19/09/724201909.db2.gz PTBQBMQGLKNLNA-MRXNPFEDSA-N 0 1 344.377 2.676 10 10 EFCEMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695772 724267239 /nfs/dbraw/zinc/26/72/39/724267239.db2.gz GENMFEZVRKMDRK-UHFFFAOYSA-N 0 1 342.233 2.536 10 10 EFCEMN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@H]1CCCO1 ZINC000151743554 725821035 /nfs/dbraw/zinc/82/10/35/725821035.db2.gz CMGVFSNYTKPLMG-OAHLLOKOSA-N 0 1 341.407 2.940 10 10 EFCEMN CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]c(CO)nc21 ZINC000906993568 726841885 /nfs/dbraw/zinc/84/18/85/726841885.db2.gz 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COc1cc(Cl)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862433586 1302382866 /nfs/dbraw/zinc/38/28/66/1302382866.db2.gz YCAHANXAACBQMY-KRWDZBQOSA-N 0 1 337.803 2.757 10 10 EFCEMN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000862490057 1302400848 /nfs/dbraw/zinc/40/08/48/1302400848.db2.gz VXUALCONSDIOLQ-LLVKDONJSA-N 0 1 340.217 2.896 10 10 EFCEMN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1c(O)ccc(Cl)c1F ZINC000862516470 1302403753 /nfs/dbraw/zinc/40/37/53/1302403753.db2.gz RXWQFYCHUWOBJS-ZWNOBZJWSA-N 0 1 345.798 2.633 10 10 EFCEMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529330 1302405519 /nfs/dbraw/zinc/40/55/19/1302405519.db2.gz RVTDLWKGRNVVRV-SWLSCSKDSA-N 0 1 326.234 2.749 10 10 EFCEMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529330 1302405527 /nfs/dbraw/zinc/40/55/27/1302405527.db2.gz RVTDLWKGRNVVRV-SWLSCSKDSA-N 0 1 326.234 2.749 10 10 EFCEMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322335 1302587533 /nfs/dbraw/zinc/58/75/33/1302587533.db2.gz SKBBLLIDTPGBHY-TXEJJXNPSA-N 0 1 328.412 2.713 10 10 EFCEMN CN1CCN(c2ccc(CNc3nc(C4(C)CC4)ns3)cc2)CC1 ZINC000865293524 1303210372 /nfs/dbraw/zinc/21/03/72/1303210372.db2.gz KXJMYSUIKQROLJ-UHFFFAOYSA-N 0 1 343.500 2.954 10 10 EFCEMN CCN(CC)c1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1F ZINC000796493896 1303579560 /nfs/dbraw/zinc/57/95/60/1303579560.db2.gz ZGPODBYSKGEUGD-CYBMUJFWSA-N 0 1 342.480 2.727 10 10 EFCEMN Cc1cc(C)c([C@@H](C)NCc2nnc(C3CCOCC3)[nH]2)c(O)c1 ZINC000866440963 1303640601 /nfs/dbraw/zinc/64/06/01/1303640601.db2.gz TXNAOQOIPGVZKD-CYBMUJFWSA-N 0 1 330.432 2.872 10 10 EFCEMN Cc1ccc(O)c(CNS(=O)(=O)c2onc(C3CC3)c2Cl)c1 ZINC000867559673 1303859129 /nfs/dbraw/zinc/85/91/29/1303859129.db2.gz NLHYHOVZRPFMGU-UHFFFAOYSA-N 0 1 342.804 2.698 10 10 EFCEMN COc1cc(NS(=O)(=O)c2ccc(C)nc2Cl)ccc1O ZINC000800843517 1308536935 /nfs/dbraw/zinc/53/69/35/1308536935.db2.gz LJVLMQUQBOBPEE-UHFFFAOYSA-N 0 1 328.777 2.558 10 10 EFCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc2ccnn21 ZINC001160599054 1311743458 /nfs/dbraw/zinc/74/34/58/1311743458.db2.gz DDQOIJVQMRJRBU-UHFFFAOYSA-N 0 1 337.166 2.672 10 10 EFCEMN COC(=O)CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001160759663 1311776188 /nfs/dbraw/zinc/77/61/88/1311776188.db2.gz UHKWILRWULMWAB-UHFFFAOYSA-N 0 1 333.315 2.595 10 10 EFCEMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCN1CC[C@@H](F)C1 ZINC001162113410 1312050090 /nfs/dbraw/zinc/05/00/90/1312050090.db2.gz GHMDLVUJQCJZSH-NVXWUHKLSA-N 0 1 335.467 2.542 10 10 EFCEMN C[C@@H]1C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2[O-] ZINC000903346462 1312586229 /nfs/dbraw/zinc/58/62/29/1312586229.db2.gz HJQDFWODRZEHAU-OCCSQVGLSA-N 0 1 335.419 2.991 10 10 EFCEMN COC(=O)c1nc(CNCc2ccc(N(C)C)cc2)ccc1Cl ZINC000826981440 1315554339 /nfs/dbraw/zinc/55/43/39/1315554339.db2.gz WHBCAMKABDTJSX-UHFFFAOYSA-N 0 1 333.819 2.877 10 10 EFCEMN COC(=O)c1nc(CNCc2cccc(OC)c2O)ccc1Cl ZINC000826981240 1315559493 /nfs/dbraw/zinc/55/94/93/1315559493.db2.gz OBJRWAHXDJZNQR-UHFFFAOYSA-N 0 1 336.775 2.526 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)NCCCCC3CC3)cc2)CC1 ZINC001254249858 1315687492 /nfs/dbraw/zinc/68/74/92/1315687492.db2.gz VXDKANVTMFPVPU-UHFFFAOYSA-N 0 1 344.503 2.818 10 10 EFCEMN CN1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)cc1 ZINC001261372226 1316407950 /nfs/dbraw/zinc/40/79/50/1316407950.db2.gz PUTJTBGZPGYNPC-IAGOWNOFSA-N 0 1 328.391 2.975 10 10 EFCEMN CCN1CCN(c2ccc(CNC(=O)[C@]3(C)C=CCC3)cc2F)CC1 ZINC001265011862 1316689201 /nfs/dbraw/zinc/68/92/01/1316689201.db2.gz DSZJJXPCIPSTMP-HXUWFJFHSA-N 0 1 345.462 2.940 10 10 EFCEMN COC(=O)/C=C\c1ccc(N2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000737440172 1321978147 /nfs/dbraw/zinc/97/81/47/1321978147.db2.gz DXQMVZYLFGFGNY-QLBOMPFWSA-N 0 1 347.415 2.557 10 10 EFCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc2[nH]cnc21 ZINC001298842974 1323619605 /nfs/dbraw/zinc/61/96/05/1323619605.db2.gz ZZOUYJOKVCLCBT-UHFFFAOYSA-N 0 1 337.166 2.900 10 10 EFCEMN COC[C@]1(C(=O)[O-])CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000901866501 1324759638 /nfs/dbraw/zinc/75/96/38/1324759638.db2.gz WETGWILTMZSMCK-OQBYNLHGSA-N 0 1 332.444 2.579 10 10 EFCEMN CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC000901933932 1324760252 /nfs/dbraw/zinc/76/02/52/1324760252.db2.gz NMQABJXLOJKYKF-QAPCUYQASA-N 0 1 334.460 2.987 10 10 EFCEMN CCOCc1cc(C[NH2+][C@H](CC)c2nc(C(=O)[O-])c[nH]2)ccc1OC ZINC000904064779 1324863466 /nfs/dbraw/zinc/86/34/66/1324863466.db2.gz MOAPTDZFVMRWCZ-CQSZACIVSA-N 0 1 347.415 2.894 10 10 EFCEMN O=C([O-])C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC001323313384 1329534120 /nfs/dbraw/zinc/53/41/20/1329534120.db2.gz QNVYBPOVQHFNLO-LBPRGKRZSA-N 0 1 331.771 2.544 10 10 EFCEMN C[C@@](CO)(NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC001329523265 1330715286 /nfs/dbraw/zinc/71/52/86/1330715286.db2.gz WPWQYSNGMKGNLO-FQEVSTJZSA-N 0 1 326.440 2.990 10 10 EFCEMN COc1ccc(N(C)CCN(C)Cc2cc(CO)ccc2F)cc1 ZINC001329839565 1330741752 /nfs/dbraw/zinc/74/17/52/1330741752.db2.gz FIOWDVIPCSXHNE-UHFFFAOYSA-N 0 1 332.419 2.895 10 10 EFCEMN CCOC(=O)[C@@]1(F)CN(Cc2cc(OC)ccc2O)C[C@@H]1CC ZINC001331564125 1330853602 /nfs/dbraw/zinc/85/36/02/1330853602.db2.gz CJYQRYLDSBZACC-SUMWQHHRSA-N 0 1 325.380 2.514 10 10 EFCEMN Cc1cc(C(=O)NC[C@@H](O)c2cnc[nH]2)c(C)n1-c1ccccc1C ZINC001348153865 1332804890 /nfs/dbraw/zinc/80/48/90/1332804890.db2.gz DRQJHXYXXHGTMH-GOSISDBHSA-N 0 1 338.411 2.589 10 10 EFCEMN CCc1cccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000848913135 1334982007 /nfs/dbraw/zinc/98/20/07/1334982007.db2.gz PAENMDXYTQPARM-MRXNPFEDSA-N 0 1 325.474 2.744 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3)cc2)CC1 ZINC001462485895 1396437663 /nfs/dbraw/zinc/43/76/63/1396437663.db2.gz LKMKHNHRAPQWRM-XFXZXTDPSA-N 0 1 335.451 2.768 10 10 EFCEMN Cc1cc(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n[nH]1 ZINC001466439788 1396753094 /nfs/dbraw/zinc/75/30/94/1396753094.db2.gz QMRGWRLTIOXIAY-UHFFFAOYSA-N 0 1 340.387 2.900 10 10 EFCEMN Cc1cc(CNC(=O)Cc2n[nH]c(C3CC3)n2)c(C)n1-c1ccccc1 ZINC001471016896 1397133918 /nfs/dbraw/zinc/13/39/18/1397133918.db2.gz DZNAZSHIRDNFTK-UHFFFAOYSA-N 0 1 349.438 2.949 10 10 EFCEMN Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)c(O)c1O ZINC001557896991 1415149940 /nfs/dbraw/zinc/14/99/40/1415149940.db2.gz RKYUQLYNJSVFPU-KRWDZBQOSA-N 0 1 349.390 2.917 10 10 EFCEMN CC[C@@H](C)[C@H](C(=O)OC)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492310 1415249090 /nfs/dbraw/zinc/24/90/90/1415249090.db2.gz LXSFTPVNFMDSHZ-CRAIPNDOSA-N 0 1 334.460 2.795 10 10 EFCEMN CC[C@H](C)[C@H](C(=O)OC)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492311 1415249190 /nfs/dbraw/zinc/24/91/90/1415249190.db2.gz LXSFTPVNFMDSHZ-MAUKXSAKSA-N 0 1 334.460 2.795 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)NCC3CC(C)(C)C3)cc2)CC1 ZINC001564579060 1415379163 /nfs/dbraw/zinc/37/91/63/1415379163.db2.gz GHJDHLJHPDPXLE-UHFFFAOYSA-N 0 1 344.503 2.674 10 10 EFCEMN C=C/C=C\CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001565644946 1415408492 /nfs/dbraw/zinc/40/84/92/1415408492.db2.gz LBOVGFMVGKNVDU-WAYWQWQTSA-N 0 1 331.435 2.716 10 10 EFCEMN O=C(NCc1cc(Br)ccc1O)c1ccc2cncn2c1 ZINC000804734390 713455705 /nfs/dbraw/zinc/45/57/05/713455705.db2.gz DBQZKEZNNYTEJW-UHFFFAOYSA-N 0 1 346.184 2.732 10 10 EFCEMN COc1ccc(N2CCN(C[C@H](O)c3ccccc3C)CC2)cc1F ZINC000084867103 714955130 /nfs/dbraw/zinc/95/51/30/714955130.db2.gz DJFNDQOMPAGHLN-IBGZPJMESA-N 0 1 344.430 2.998 10 10 EFCEMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000176095781 715054773 /nfs/dbraw/zinc/05/47/73/715054773.db2.gz FOGIDBZWOLESTK-ZDUSSCGKSA-N 0 1 329.396 2.800 10 10 EFCEMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000176095781 715054777 /nfs/dbraw/zinc/05/47/77/715054777.db2.gz FOGIDBZWOLESTK-ZDUSSCGKSA-N 0 1 329.396 2.800 10 10 EFCEMN Cc1ccc(O)c(CN2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000180017072 718083826 /nfs/dbraw/zinc/08/38/26/718083826.db2.gz AWVUSJXILWEKSD-UHFFFAOYSA-N 0 1 331.460 2.861 10 10 EFCEMN COC(=O)c1c(CN2CCC(CCO)CC2)c2cc(F)ccc2n1C ZINC000893922091 720162689 /nfs/dbraw/zinc/16/26/89/720162689.db2.gz ZKWAVSGXWZEHNN-UHFFFAOYSA-N 0 1 348.418 2.698 10 10 EFCEMN CC(C)(C)CC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893929123 720166373 /nfs/dbraw/zinc/16/63/73/720166373.db2.gz NLUZIRZSMKVDIY-UHFFFAOYSA-N 0 1 326.387 2.751 10 10 EFCEMN NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000893978489 720193997 /nfs/dbraw/zinc/19/39/97/720193997.db2.gz UETQVFQGROYSBE-NSHDSACASA-N 0 1 345.212 2.524 10 10 EFCEMN CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000178711995 720573712 /nfs/dbraw/zinc/57/37/12/720573712.db2.gz CTENQFLEYKXUEA-HXUWFJFHSA-N 0 1 337.467 2.864 10 10 EFCEMN COC(=O)c1c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421648 722731987 /nfs/dbraw/zinc/73/19/87/722731987.db2.gz FMFJSWGAGVTMTN-CHWSQXEVSA-N 0 1 348.418 2.697 10 10 EFCEMN COC(=O)c1c(CN2CCC[C@@H]([C@@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421648 722731990 /nfs/dbraw/zinc/73/19/90/722731990.db2.gz FMFJSWGAGVTMTN-CHWSQXEVSA-N 0 1 348.418 2.697 10 10 EFCEMN Cc1c(C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])cnn1C ZINC000894594658 722793341 /nfs/dbraw/zinc/79/33/41/722793341.db2.gz BMMNEJHTPLAJFW-UHFFFAOYSA-N 0 1 342.212 2.968 10 10 EFCEMN COC[C@]1(C)CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894875150 722932733 /nfs/dbraw/zinc/93/27/33/722932733.db2.gz WFLCIGRVRWXMCS-LJQANCHMSA-N 0 1 348.418 2.962 10 10 EFCEMN COC(=O)c1c(CN2C[C@@H](C)C[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895033680 723056067 /nfs/dbraw/zinc/05/60/67/723056067.db2.gz LPTDACAGTXGGFB-STQMWFEESA-N 0 1 348.418 2.554 10 10 EFCEMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071455 723179568 /nfs/dbraw/zinc/17/95/68/723179568.db2.gz ODLKRDVUZVYLJH-UHFFFAOYSA-N 0 1 333.819 2.833 10 10 EFCEMN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000896265542 723227644 /nfs/dbraw/zinc/22/76/44/723227644.db2.gz JTXUMXJGBSAXDN-GFCCVEGCSA-N 0 1 332.425 2.527 10 10 EFCEMN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000896444527 723304657 /nfs/dbraw/zinc/30/46/57/723304657.db2.gz MAERPFIOVINNKV-VQIMIIECSA-N 0 1 342.487 2.592 10 10 EFCEMN COC(=O)c1c(CN2CC[C@H](C)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376707 724087473 /nfs/dbraw/zinc/08/74/73/724087473.db2.gz IKRYBXYZENCDTG-STQMWFEESA-N 0 1 348.418 2.554 10 10 EFCEMN COc1cc(CN2CCNC(=O)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895400374 724117437 /nfs/dbraw/zinc/11/74/37/724117437.db2.gz OEQKYLQYBBVOKJ-UHFFFAOYSA-N 0 1 334.460 2.799 10 10 EFCEMN CN1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC000895608281 724222035 /nfs/dbraw/zinc/22/20/35/724222035.db2.gz IQDBLIHFTANELJ-UHFFFAOYSA-N 0 1 347.409 2.712 10 10 EFCEMN COc1c([O-])c(C[NH+]2CC(CC3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000895616438 724224832 /nfs/dbraw/zinc/22/48/32/724224832.db2.gz SBYPNESRILZHDP-UHFFFAOYSA-N 0 1 336.388 2.558 10 10 EFCEMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696376 724267963 /nfs/dbraw/zinc/26/79/63/724267963.db2.gz BMHQWWSJSSVCNW-UHFFFAOYSA-N 0 1 342.233 2.536 10 10 EFCEMN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@@H]1CCCO1 ZINC000151743478 725821062 /nfs/dbraw/zinc/82/10/62/725821062.db2.gz CMGVFSNYTKPLMG-HNNXBMFYSA-N 0 1 341.407 2.940 10 10 EFCEMN O=C([C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)N1CCCC1 ZINC000732188381 727001964 /nfs/dbraw/zinc/00/19/64/727001964.db2.gz DJOXSLWGVVLGTD-MRXNPFEDSA-N 0 1 339.439 2.775 10 10 EFCEMN O=C([C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1)N1CCCC1 ZINC000732188381 727001969 /nfs/dbraw/zinc/00/19/69/727001969.db2.gz DJOXSLWGVVLGTD-MRXNPFEDSA-N 0 1 339.439 2.775 10 10 EFCEMN Nc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1C1CC1 ZINC000908212499 727132681 /nfs/dbraw/zinc/13/26/81/727132681.db2.gz PPCFJRGLHCHKQP-UHFFFAOYSA-N 0 1 341.198 2.743 10 10 EFCEMN Cc1nc(CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)oc1C ZINC000171356276 728530844 /nfs/dbraw/zinc/53/08/44/728530844.db2.gz LKFLOPGCRXFAFH-UHFFFAOYSA-N 0 1 341.455 2.804 10 10 EFCEMN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN2CCCCCF)cc1 ZINC001569386446 1085167350 /nfs/dbraw/zinc/16/73/50/1085167350.db2.gz NXCHYLLBSYFKTA-HNNXBMFYSA-N 0 1 349.410 2.793 10 10 EFCEMN Nc1nc(Cl)c(N)c(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC001651118490 1093527945 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C[C@@]1([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)COC(=O)N1 ZINC000905706000 1103517985 /nfs/dbraw/zinc/51/79/85/1103517985.db2.gz DMAIHIMHFMDFSO-KUHUBIRLSA-N 0 1 341.411 2.651 10 10 EFCEMN C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001672371715 1105814980 /nfs/dbraw/zinc/81/49/80/1105814980.db2.gz YJWMIDYFDBOYCU-WMZOPIPTSA-N 0 1 344.503 2.674 10 10 EFCEMN C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841890741 1105843571 /nfs/dbraw/zinc/84/35/71/1105843571.db2.gz FHJKAILVKYIYJR-GHMZBOCLSA-N 0 1 333.259 2.586 10 10 EFCEMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000090850746 1106515716 /nfs/dbraw/zinc/51/57/16/1106515716.db2.gz STXLQEDTQNOZIL-INIZCTEOSA-N 0 1 340.471 2.835 10 10 EFCEMN CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000926981973 1108422313 /nfs/dbraw/zinc/42/23/13/1108422313.db2.gz ZFLVGXBSIJZCGT-GWCFXTLKSA-N 0 1 330.350 2.978 10 10 EFCEMN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000927132222 1108949397 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CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H]3C)cc2F)CC1 ZINC000297545536 241125330 /nfs/dbraw/zinc/12/53/30/241125330.db2.gz FICMASRHHOXDQW-LSDHHAIUSA-N 0 1 348.466 2.517 10 10 EFCEMN CC(=O)c1cc(F)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000363886993 242285959 /nfs/dbraw/zinc/28/59/59/242285959.db2.gz ZDUATVSOLVBURQ-INIZCTEOSA-N 0 1 340.358 2.731 10 10 EFCEMN Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000055711215 258060970 /nfs/dbraw/zinc/06/09/70/258060970.db2.gz ILQYCZFSBLFVDY-ZDUSSCGKSA-N 0 1 342.443 2.534 10 10 EFCEMN CCCCN1C(=O)NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)C1=O ZINC000006244330 278695311 /nfs/dbraw/zinc/69/53/11/278695311.db2.gz SALAJGLBMALYRT-SSZFMOIBSA-N 0 1 341.411 2.549 10 10 EFCEMN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1[O-] ZINC000185025309 473304136 /nfs/dbraw/zinc/30/41/36/473304136.db2.gz KDOFDABXIGAISC-NSHDSACASA-N 0 1 329.791 2.872 10 10 EFCEMN CCN(CC(=O)NCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000012554760 471781602 /nfs/dbraw/zinc/78/16/02/471781602.db2.gz 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COC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000862466722 1302389179 /nfs/dbraw/zinc/38/91/79/1302389179.db2.gz IZTWEQQIGIHORZ-SNVBAGLBSA-N 0 1 326.190 2.506 10 10 EFCEMN COc1cc(O)c(CNC2(c3cc(C)no3)CCOCC2)cc1OC ZINC000862542632 1302410481 /nfs/dbraw/zinc/41/04/81/1302410481.db2.gz VXVHUQJYWGCXDU-UHFFFAOYSA-N 0 1 348.399 2.501 10 10 EFCEMN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1O ZINC000863949935 1302743940 /nfs/dbraw/zinc/74/39/40/1302743940.db2.gz ZPESJLOXAOMYML-INIZCTEOSA-N 0 1 332.350 2.652 10 10 EFCEMN c1cc(CNCc2ccc(N3CCOCC3)cc2)n(CC2CCC2)n1 ZINC000865427850 1303250924 /nfs/dbraw/zinc/25/09/24/1303250924.db2.gz KTXYITGPQSRWBD-UHFFFAOYSA-N 0 1 340.471 2.810 10 10 EFCEMN CCN1CCN(c2ccc(CNCc3cc(C)no3)cc2F)CC1 ZINC000865457670 1303265800 /nfs/dbraw/zinc/26/58/00/1303265800.db2.gz ZZZKRWZEOMVIKW-UHFFFAOYSA-N 0 1 332.423 2.554 10 10 EFCEMN CC[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(C)cc1O ZINC000866440257 1303640687 /nfs/dbraw/zinc/64/06/87/1303640687.db2.gz NMOLFGKOCOJYLR-OAHLLOKOSA-N 0 1 330.432 2.954 10 10 EFCEMN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000866573617 1303693406 /nfs/dbraw/zinc/69/34/06/1303693406.db2.gz XQZSRMWPJUDVNJ-GFCCVEGCSA-N 0 1 336.457 2.511 10 10 EFCEMN CN(C(=O)C1CC1)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001161849828 1311986011 /nfs/dbraw/zinc/98/60/11/1311986011.db2.gz SWYADDZYGQTGFN-UHFFFAOYSA-N 0 1 344.342 2.862 10 10 EFCEMN CCCn1cc([C@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046960 1312308882 /nfs/dbraw/zinc/30/88/82/1312308882.db2.gz DOGDHWOIZKVUAT-LSDHHAIUSA-N 0 1 329.448 2.626 10 10 EFCEMN O=C(NCc1cc(Cl)ccc1O)c1c[nH]c2ccccc2c1=O ZINC001165497978 1312638746 /nfs/dbraw/zinc/63/87/46/1312638746.db2.gz KCLUIWFEOUSQJL-UHFFFAOYSA-N 0 1 328.755 2.817 10 10 EFCEMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151761 1315602006 /nfs/dbraw/zinc/60/20/06/1315602006.db2.gz JFYNCXJOSGONGW-HNNXBMFYSA-N 0 1 326.234 2.892 10 10 EFCEMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151761 1315602008 /nfs/dbraw/zinc/60/20/08/1315602008.db2.gz JFYNCXJOSGONGW-HNNXBMFYSA-N 0 1 326.234 2.892 10 10 EFCEMN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1cnc[nH]1 ZINC001261763789 1316429185 /nfs/dbraw/zinc/42/91/85/1316429185.db2.gz MZYMICIYEPEDMK-UHFFFAOYSA-N 0 1 344.484 2.557 10 10 EFCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724842034 1317364142 /nfs/dbraw/zinc/36/41/42/1317364142.db2.gz KGMBBOBOXLUIHQ-NOZJJQNGSA-N 0 1 330.197 2.905 10 10 EFCEMN O=C(NCc1ccc2cncn2c1)c1cc2cc(O)c(O)cc2s1 ZINC001299122227 1323698541 /nfs/dbraw/zinc/69/85/41/1323698541.db2.gz XEFBYDOTQGXODT-UHFFFAOYSA-N 0 1 339.376 2.890 10 10 EFCEMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000901866498 1324759450 /nfs/dbraw/zinc/75/94/50/1324759450.db2.gz WETGWILTMZSMCK-FHHGHWCOSA-N 0 1 332.444 2.579 10 10 EFCEMN Cc1ncc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001312850014 1324997468 /nfs/dbraw/zinc/99/74/68/1324997468.db2.gz XRRMUTIPIGMFBE-UHFFFAOYSA-N 0 1 330.171 2.995 10 10 EFCEMN CN1CCN(c2ccc(CNC(=O)NC3(C)CCCCC3)cc2)CC1 ZINC001313211166 1325009286 /nfs/dbraw/zinc/00/92/86/1325009286.db2.gz AWORUTBUJRBEST-UHFFFAOYSA-N 0 1 344.503 2.960 10 10 EFCEMN CN(C)c1ncccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC001323745920 1329567264 /nfs/dbraw/zinc/56/72/64/1329567264.db2.gz OFSWPLPNRVVCKL-UHFFFAOYSA-N 0 1 336.233 2.906 10 10 EFCEMN [O-]c1cc(Br)ccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC001328762464 1330628118 /nfs/dbraw/zinc/62/81/18/1330628118.db2.gz LRBKTJRBCAMYBP-UHFFFAOYSA-N 0 1 326.234 2.892 10 10 EFCEMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001329061140 1330662100 /nfs/dbraw/zinc/66/21/00/1330662100.db2.gz JTPYQLICCDDJQC-YWXMQNBFSA-N 0 1 326.234 2.748 10 10 EFCEMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001329061140 1330662104 /nfs/dbraw/zinc/66/21/04/1330662104.db2.gz JTPYQLICCDDJQC-YWXMQNBFSA-N 0 1 326.234 2.748 10 10 EFCEMN CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332738724 1331013095 /nfs/dbraw/zinc/01/30/95/1331013095.db2.gz KEYHOJLNRSHZCS-WBVHZDCISA-N 0 1 335.467 2.577 10 10 EFCEMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734559 1331204558 /nfs/dbraw/zinc/20/45/58/1331204558.db2.gz PCUAYGIQELDKME-NSHDSACASA-N 0 1 329.799 2.548 10 10 EFCEMN CN(C)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344909 1335595430 /nfs/dbraw/zinc/59/54/30/1335595430.db2.gz SGQIRJVAQXBBEI-OLZOCXBDSA-N 0 1 330.350 2.838 10 10 EFCEMN CN(C)c1ccc([C@@H](CNC(=O)c2c([O-])cccc2F)[NH+](C)C)cc1 ZINC001456938847 1394875902 /nfs/dbraw/zinc/87/59/02/1394875902.db2.gz ZMCFWDYVNLDLCY-MRXNPFEDSA-N 0 1 345.418 2.630 10 10 EFCEMN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Nc2ccncc2)cc1 ZINC001470598476 1397102039 /nfs/dbraw/zinc/10/20/39/1397102039.db2.gz FEXWCQWBCCKLLC-UHFFFAOYSA-N 0 1 349.390 2.517 10 10 EFCEMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CCN(C)C)c1 ZINC001556515741 1415074194 /nfs/dbraw/zinc/07/41/94/1415074194.db2.gz JVYHEVIJYMLSCG-UHFFFAOYSA-N 0 1 347.455 2.912 10 10 EFCEMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 ZINC001567256422 1416028547 /nfs/dbraw/zinc/02/85/47/1416028547.db2.gz ICVRMJGHNMOWBW-VIFPVBQESA-N 0 1 329.364 2.582 10 10 EFCEMN O=C(NCc1cc(Br)ccc1O)c1ccc(F)cc1O ZINC000804738499 713456405 /nfs/dbraw/zinc/45/64/05/713456405.db2.gz SHHMVMNIUXPEII-UHFFFAOYSA-N 0 1 340.148 2.929 10 10 EFCEMN CN(Cc1cc2c(cc1O)CCCC2)CC(C)(C)S(C)(=O)=O ZINC000160514488 714247488 /nfs/dbraw/zinc/24/74/88/714247488.db2.gz KYVBKRNARDILES-UHFFFAOYSA-N 0 1 325.474 2.526 10 10 EFCEMN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1[O-] ZINC000723570966 714663651 /nfs/dbraw/zinc/66/36/51/714663651.db2.gz NSYMFTHJNQHTJV-GXFFZTMASA-N 0 1 341.249 2.674 10 10 EFCEMN COc1ccc2ccc(O)c(CN3CCN(CC(F)F)CC3)c2c1 ZINC000052085953 715982496 /nfs/dbraw/zinc/98/24/96/715982496.db2.gz BBTBWTQFIKJZAY-UHFFFAOYSA-N 0 1 336.382 2.937 10 10 EFCEMN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000896989462 723935880 /nfs/dbraw/zinc/93/58/80/723935880.db2.gz SKLCBRTVIIBPAX-LBPRGKRZSA-N 0 1 332.425 2.621 10 10 EFCEMN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCN(C2CC2)C1 ZINC000896989462 723935883 /nfs/dbraw/zinc/93/58/83/723935883.db2.gz SKLCBRTVIIBPAX-LBPRGKRZSA-N 0 1 332.425 2.621 10 10 EFCEMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895273815 723967563 /nfs/dbraw/zinc/96/75/63/723967563.db2.gz DWCPIHDLWIUAOZ-YGRLFVJLSA-N 0 1 330.197 2.762 10 10 EFCEMN O=C1CC2(CN(Cc3cc(F)cc(F)c3O)C2)N1Cc1ccccc1 ZINC000895455099 724145843 /nfs/dbraw/zinc/14/58/43/724145843.db2.gz SKTLQHUEJFHMQL-UHFFFAOYSA-N 0 1 344.361 2.657 10 10 EFCEMN CCCn1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000121308712 724320977 /nfs/dbraw/zinc/32/09/77/724320977.db2.gz KDSGZSKHBPQQAZ-UHFFFAOYSA-N 0 1 328.460 2.762 10 10 EFCEMN COC(=O)c1c(CN2CCC([C@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000893993674 720200090 /nfs/dbraw/zinc/20/00/90/720200090.db2.gz DWAKBRKFMNPXHN-LBPRGKRZSA-N 0 1 348.418 2.697 10 10 EFCEMN Oc1c(F)cc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000894093924 720277729 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[O-]c1cc(Br)ccc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000895584572 724206876 /nfs/dbraw/zinc/20/68/76/724206876.db2.gz FIAHOJPMTFRYJC-GFCCVEGCSA-N 0 1 340.217 2.689 10 10 EFCEMN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)cc(F)c1O ZINC000895590594 724217413 /nfs/dbraw/zinc/21/74/13/724217413.db2.gz LRIMDUKYTNUQMC-CQSZACIVSA-N 0 1 345.798 2.633 10 10 EFCEMN CCC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000895822701 724333677 /nfs/dbraw/zinc/33/36/77/724333677.db2.gz QWYHGHWPNYKOKS-UHFFFAOYSA-N 0 1 349.431 2.759 10 10 EFCEMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836302 724343034 /nfs/dbraw/zinc/34/30/34/724343034.db2.gz KZWDXGUQGDUPJN-GFCCVEGCSA-N 0 1 327.705 2.931 10 10 EFCEMN COc1ccc(-n2c(C)cc(C(=O)NC34CCN(CC3)C4)c2C)cc1 ZINC000913626227 725786484 /nfs/dbraw/zinc/78/64/84/725786484.db2.gz IFEMEDWKRMDNEV-UHFFFAOYSA-N 0 1 339.439 2.681 10 10 EFCEMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000151724974 725815548 /nfs/dbraw/zinc/81/55/48/725815548.db2.gz CJBPEXINPYQIMI-CQSZACIVSA-N 0 1 329.396 2.943 10 10 EFCEMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000151724974 725815552 /nfs/dbraw/zinc/81/55/52/725815552.db2.gz CJBPEXINPYQIMI-CQSZACIVSA-N 0 1 329.396 2.943 10 10 EFCEMN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000913892151 725927254 /nfs/dbraw/zinc/92/72/54/725927254.db2.gz JIQOTRQAHDWPCJ-OAHLLOKOSA-N 0 1 343.402 2.605 10 10 EFCEMN O=S(=O)(CC1(F)CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000915669601 727115608 /nfs/dbraw/zinc/11/56/08/727115608.db2.gz RHURNRPCBKYIOT-UHFFFAOYSA-N 0 1 328.192 2.621 10 10 EFCEMN O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841085720 727210563 /nfs/dbraw/zinc/21/05/63/727210563.db2.gz BNIVYZANOSPJSL-BXUZGUMPSA-N 0 1 339.823 2.918 10 10 EFCEMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262415 727521120 /nfs/dbraw/zinc/52/11/20/727521120.db2.gz QHIPTERQCKIMEP-BZNIZROVSA-N 0 1 336.395 2.646 10 10 EFCEMN CN(C)Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F 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C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001686243359 1416793568 /nfs/dbraw/zinc/79/35/68/1416793568.db2.gz IVXAXZGHCLVKNY-WMZOPIPTSA-N 0 1 344.503 2.674 10 10 EFCEMN C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCN(CCF)C1 ZINC001699879862 1417495909 /nfs/dbraw/zinc/49/59/09/1417495909.db2.gz ZOQCXZVHPZVAKC-QGZVFWFLSA-N 0 1 349.410 2.650 10 10 EFCEMN Cc1cnn(C[C@@H]2CN(Cc3cc4c(cc3O)CCCC4)CCO2)c1 ZINC000160183898 712914733 /nfs/dbraw/zinc/91/47/33/712914733.db2.gz RQISBEYYWSEGQT-IBGZPJMESA-N 0 1 341.455 2.677 10 10 EFCEMN CC1CCN(CC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804736574 713455837 /nfs/dbraw/zinc/45/58/37/713455837.db2.gz VDHQSYMRKMXTLY-UHFFFAOYSA-N 0 1 341.249 2.503 10 10 EFCEMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCN1CC(F)F ZINC000160523969 714258751 /nfs/dbraw/zinc/25/87/51/714258751.db2.gz GPZHHQKLTCTTEO-CQSZACIVSA-N 0 1 328.403 2.871 10 10 EFCEMN O=C1CC2(CCC2)[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC000895927729 724397759 /nfs/dbraw/zinc/39/77/59/724397759.db2.gz ATPIIUHBGAANFJ-UHFFFAOYSA-N 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