smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000113835958 231022283 /nfs/dbraw/zinc/02/22/83/231022283.db2.gz CAKYHIBZFMQDBV-UHFFFAOYSA-N 0 0 388.448 3.333 40 10 GGCBRN Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000409203823 231179304 /nfs/dbraw/zinc/17/93/04/231179304.db2.gz YECPZQFVMMHNLR-VCHYOVAHSA-N 0 0 392.390 3.147 40 10 GGCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)cc1 ZINC000409216249 231182172 /nfs/dbraw/zinc/18/21/72/231182172.db2.gz JFPCXEZLVLZMJH-MHWRWJLKSA-N 0 0 384.482 3.265 40 10 GGCBRN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(CC)CC)o2)C1=O ZINC000409223259 231183217 /nfs/dbraw/zinc/18/32/17/231183217.db2.gz DZRLRBZEUIOTPK-FYWRMAATSA-N 0 0 397.431 3.191 40 10 GGCBRN Cn1c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2n(C)c1=O ZINC000409346882 231193860 /nfs/dbraw/zinc/19/38/60/231193860.db2.gz OPOGRTLJXBELNC-YBEGLDIGSA-N 0 0 399.472 3.422 40 10 GGCBRN CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(CC)C3=O)c2C)cc1 ZINC000409392341 529579669 /nfs/dbraw/zinc/57/96/69/529579669.db2.gz PBGJYTOYEBJCIR-LDADJPATSA-N 0 0 381.501 3.303 40 10 GGCBRN CCCc1ccc(C[C@@]23O[C@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 ZINC000005313648 204125618 /nfs/dbraw/zinc/12/56/18/204125618.db2.gz PJSDXXBKHGOAJG-GOTSBHOMSA-N 0 0 378.424 3.332 40 10 GGCBRN CCOc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025764 204103882 /nfs/dbraw/zinc/10/38/82/204103882.db2.gz CZXNDRNPVZAISR-UHFFFAOYSA-N 0 0 387.373 3.008 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1O ZINC000005853451 204153864 /nfs/dbraw/zinc/15/38/64/204153864.db2.gz SZLUZRJUQIEWNN-WJDWOHSUSA-N 0 0 395.411 3.287 40 10 GGCBRN COc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1O ZINC000005373031 204129551 /nfs/dbraw/zinc/12/95/51/204129551.db2.gz GGNSTVRFKBANTC-YVLHZVERSA-N 0 0 383.429 3.442 40 10 GGCBRN CCc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 ZINC000005374819 204129620 /nfs/dbraw/zinc/12/96/20/204129620.db2.gz FJZVDIROHOYYCD-DHZHZOJOSA-N 0 0 390.515 3.184 40 10 GGCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 ZINC000005552737 204138787 /nfs/dbraw/zinc/13/87/87/204138787.db2.gz OACVFABUDMQJOT-XEXQVEHGSA-N 0 0 386.454 3.391 40 10 GGCBRN Cc1c(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000005552774 204140822 /nfs/dbraw/zinc/14/08/22/204140822.db2.gz FOKRRONFSDYLJC-PTNGSMBKSA-N 0 0 396.497 3.218 40 10 GGCBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccnc1 ZINC000007166072 204235001 /nfs/dbraw/zinc/23/50/01/204235001.db2.gz HDSLJLKHKUPETC-ATVHPVEESA-N 0 0 383.498 3.324 40 10 GGCBRN COc1ccc(N(CCC(N)=O)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000008726596 204286501 /nfs/dbraw/zinc/28/65/01/204286501.db2.gz ZPVSSHURIBYOPQ-UHFFFAOYSA-N 0 0 386.839 3.281 40 10 GGCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4O)S3)CC2)cc1 ZINC000009189190 204302321 /nfs/dbraw/zinc/30/23/21/204302321.db2.gz DRCJCOCCDSURHS-RGEXLXHISA-N 0 0 395.484 3.193 40 10 GGCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC ZINC000010113202 204330099 /nfs/dbraw/zinc/33/00/99/204330099.db2.gz JKHPYPWCQVNCBY-UHFFFAOYSA-N 0 0 390.505 3.173 40 10 GGCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000010113302 204330780 /nfs/dbraw/zinc/33/07/80/204330780.db2.gz TTWZYWSSYDERFP-UHFFFAOYSA-N 0 0 375.812 3.015 40 10 GGCBRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000010962242 204340935 /nfs/dbraw/zinc/34/09/35/204340935.db2.gz DNVWXOSNUSRHNY-UHFFFAOYSA-N 0 0 376.460 3.186 40 10 GGCBRN O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1cccnc1 ZINC000020010446 204697475 /nfs/dbraw/zinc/69/74/75/204697475.db2.gz IQGZCIZRIPUMOR-QPEQYQDCSA-N 0 0 393.852 3.420 40 10 GGCBRN COc1ccc(N2CCN(C(=O)CCCc3nc(-c4ccco4)no3)CC2)cc1 ZINC000020894314 204743426 /nfs/dbraw/zinc/74/34/26/204743426.db2.gz YXWBMCNPIKSZRH-UHFFFAOYSA-N 0 0 396.447 3.010 40 10 GGCBRN COC(=O)c1ccccc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000036635227 205020697 /nfs/dbraw/zinc/02/06/97/205020697.db2.gz WOWCOVCTKTVCGF-OAHLLOKOSA-N 0 0 384.413 3.070 40 10 GGCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000056105709 205150290 /nfs/dbraw/zinc/15/02/90/205150290.db2.gz XMNPVUCRXRIRRE-UHFFFAOYSA-N 0 0 378.494 3.029 40 10 GGCBRN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049740458 205130642 /nfs/dbraw/zinc/13/06/42/205130642.db2.gz PVXZXUHGLPJXLN-UHFFFAOYSA-N 0 0 380.897 3.427 40 10 GGCBRN Cc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 ZINC000103593461 205649083 /nfs/dbraw/zinc/64/90/83/205649083.db2.gz VIYDGIPUVMAAGU-HXBSJJRASA-N 0 0 395.488 3.017 40 10 GGCBRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000156790671 205802954 /nfs/dbraw/zinc/80/29/54/205802954.db2.gz VQESPAGCNMMBKD-UHFFFAOYSA-N 0 0 396.896 3.013 40 10 GGCBRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000026417124 206000417 /nfs/dbraw/zinc/00/04/17/206000417.db2.gz CPVUDCGYWXAYPC-RXVVDRJESA-N 0 0 387.549 3.089 40 10 GGCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000223883101 206009491 /nfs/dbraw/zinc/00/94/91/206009491.db2.gz CLZJAEOWWMEADK-UHFFFAOYSA-N 0 0 389.521 3.224 40 10 GGCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000225670066 206065984 /nfs/dbraw/zinc/06/59/84/206065984.db2.gz CKYSWQLHCHFISC-UHFFFAOYSA-N 0 0 389.521 3.143 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3snnc3-c3cccs3)CC2)cc1 ZINC000225789972 206075675 /nfs/dbraw/zinc/07/56/75/206075675.db2.gz VROGPNSENQKDTB-UHFFFAOYSA-N 0 0 386.502 3.238 40 10 GGCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838960 206081264 /nfs/dbraw/zinc/08/12/64/206081264.db2.gz MEFLCCMXXJTJTM-OAHLLOKOSA-N 0 0 399.516 3.357 40 10 GGCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000225838199 206081345 /nfs/dbraw/zinc/08/13/45/206081345.db2.gz IONOGPUYUKQYNI-CQSZACIVSA-N 0 0 385.489 3.300 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cc4cccc(Cl)c4oc3=O)CC2)cc1 ZINC000226040460 206087654 /nfs/dbraw/zinc/08/76/54/206087654.db2.gz XCXBWBAWTCVMEH-UHFFFAOYSA-N 0 0 398.846 3.417 40 10 GGCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 ZINC000041084955 206194741 /nfs/dbraw/zinc/19/47/41/206194741.db2.gz XIVNFQYWBHBKHX-ZEOUHTHCSA-N 0 0 396.520 3.205 40 10 GGCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041076632 206195485 /nfs/dbraw/zinc/19/54/85/206195485.db2.gz SKCHWJQSVSRRQQ-HGLSAHSWSA-N 0 0 397.372 3.112 40 10 GGCBRN CC1CCN(C2=NN3C(=NC(=O)/C(=C\c4c[nH]c5ccccc45)C3=N)S2)CC1 ZINC000041084611 206196034 /nfs/dbraw/zinc/19/60/34/206196034.db2.gz MYMLEMOFVBRDRL-SRRKIXIOSA-N 0 0 392.488 3.476 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000001277043 206212088 /nfs/dbraw/zinc/21/20/88/206212088.db2.gz KPDNVUCBWCUKTF-KLDHPSGWSA-N 0 0 386.838 3.011 40 10 GGCBRN COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001792254 206212734 /nfs/dbraw/zinc/21/27/34/206212734.db2.gz HLMPJGISJRECQK-AVMBBCFPSA-N 0 0 385.894 3.119 40 10 GGCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409074413 533198047 /nfs/dbraw/zinc/19/80/47/533198047.db2.gz ZHESUIGUTSTIAQ-FSEGOYHTSA-N 0 0 399.472 3.395 40 10 GGCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409072304 533199673 /nfs/dbraw/zinc/19/96/73/533199673.db2.gz JPYCZJGZOGDBCU-JASJWYONSA-N 0 0 392.452 3.414 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000408895151 533267621 /nfs/dbraw/zinc/26/76/21/533267621.db2.gz UBZJKFCNQZTIJZ-SXGWCWSVSA-N 0 0 381.359 3.432 40 10 GGCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408895164 533265648 /nfs/dbraw/zinc/26/56/48/533265648.db2.gz UDHLJNTYOLZHMP-IGVUGNCQSA-N 0 0 379.815 3.331 40 10 GGCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1 ZINC000112123963 533321510 /nfs/dbraw/zinc/32/15/10/533321510.db2.gz CXABXZKTZUMHAC-UYRXBGFRSA-N 0 0 394.387 3.247 40 10 GGCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NC2CC2)cc1 ZINC000112119839 533430496 /nfs/dbraw/zinc/43/04/96/533430496.db2.gz CHDKFHCHOCFXLQ-ZHZULCJRSA-N 0 0 377.444 3.481 40 10 GGCBRN COc1cccc(CNC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000103916103 533475101 /nfs/dbraw/zinc/47/51/01/533475101.db2.gz QPDFCLSSOMVTLU-UYRXBGFRSA-N 0 0 380.404 3.390 40 10 GGCBRN COc1cc(C)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC ZINC000409127155 533565216 /nfs/dbraw/zinc/56/52/16/533565216.db2.gz GSLUNBZJJHYXQF-BOPFTXTBSA-N 0 0 382.441 3.413 40 10 GGCBRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(=O)c2ccccc2o1 ZINC000054035569 132441528 /nfs/dbraw/zinc/44/15/28/132441528.db2.gz DUXBNWUCJZOPCR-UHFFFAOYSA-N 0 0 380.469 3.276 40 10 GGCBRN O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000160943857 136196310 /nfs/dbraw/zinc/19/63/10/136196310.db2.gz CAJOIVJCWAOJQA-UHFFFAOYSA-N 0 0 389.293 3.145 40 10 GGCBRN COc1cc(OC)cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000218895219 136203784 /nfs/dbraw/zinc/20/37/84/136203784.db2.gz UPVAFGIBNWTGQE-UHFFFAOYSA-N 0 0 384.476 3.389 40 10 GGCBRN Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl ZINC000218923229 136203884 /nfs/dbraw/zinc/20/38/84/136203884.db2.gz CKDHRYNQBDYAPE-UHFFFAOYSA-N 0 0 388.895 3.489 40 10 GGCBRN O=C(COc1cccc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000218912663 136203885 /nfs/dbraw/zinc/20/38/85/136203885.db2.gz OPTDZGOEIMTLHV-UHFFFAOYSA-N 0 0 376.456 3.372 40 10 GGCBRN CC(C)N1c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223541326 136205836 /nfs/dbraw/zinc/20/58/36/136205836.db2.gz MYOOVAQZCDTARJ-RKPNYOAGSA-N 0 0 385.533 3.444 40 10 GGCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC ZINC000058865894 533718749 /nfs/dbraw/zinc/71/87/49/533718749.db2.gz JHUZYIIONXYATK-UHFFFAOYSA-N 0 0 397.221 3.220 40 10 GGCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC[C@H]3CCCO3)C2=O)cc1 ZINC000112122947 534020762 /nfs/dbraw/zinc/02/07/62/534020762.db2.gz FBIVSLCMKKMBRI-JSZIULHXSA-N 0 0 391.471 3.489 40 10 GGCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409001499 534143729 /nfs/dbraw/zinc/14/37/29/534143729.db2.gz WIBWRWHCDKOPGN-UHFFFAOYSA-N 0 0 385.851 3.490 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408996791 534143856 /nfs/dbraw/zinc/14/38/56/534143856.db2.gz FARBCSLHDWMROM-UHFFFAOYSA-N 0 0 394.283 3.315 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O ZINC000409096877 534226294 /nfs/dbraw/zinc/22/62/94/534226294.db2.gz GVVYFXIEHAQCDH-BTAWCLGRSA-N 0 0 378.425 3.024 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409074346 534226680 /nfs/dbraw/zinc/22/66/80/534226680.db2.gz ZHESUIGUTSTIAQ-BRYYZUPOSA-N 0 0 399.472 3.395 40 10 GGCBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409214160 534334284 /nfs/dbraw/zinc/33/42/84/534334284.db2.gz WAZBPCWQIHPTOK-OVCLIPMQSA-N 0 0 388.445 3.096 40 10 GGCBRN CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1 ZINC000409025803 526697249 /nfs/dbraw/zinc/69/72/49/526697249.db2.gz XBZCWTPEVRDGSJ-YVLHZVERSA-N 0 0 397.412 3.280 40 10 GGCBRN CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000409182994 527117556 /nfs/dbraw/zinc/11/75/56/527117556.db2.gz QNNOPZATPFHBTG-LFIBNONCSA-N 0 0 398.465 3.158 40 10 GGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O ZINC000409242126 528173446 /nfs/dbraw/zinc/17/34/46/528173446.db2.gz MJHMLSLCNCKMNZ-WOJGMQOQSA-N 0 0 395.459 3.492 40 10 GGCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(OC)c1 ZINC000409074422 528293862 /nfs/dbraw/zinc/29/38/62/528293862.db2.gz ZJSYHLOIJMRVLD-HMHNVIDESA-N 0 0 392.477 3.139 40 10 GGCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408893257 528615472 /nfs/dbraw/zinc/61/54/72/528615472.db2.gz LOUVTKYITJGPLD-DHDCSXOGSA-N 0 0 388.420 3.322 40 10 GGCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O ZINC000409230832 529350053 /nfs/dbraw/zinc/35/00/53/529350053.db2.gz GCMMIBMGQJCLBO-VVBXCHJUSA-N 0 0 376.478 3.367 40 10 GGCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001276893 564184300 /nfs/dbraw/zinc/18/43/00/564184300.db2.gz IQAQERXFBHBIPY-CLUBXZQOSA-N 0 0 386.292 3.212 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001276895 564184383 /nfs/dbraw/zinc/18/43/83/564184383.db2.gz IQAQERXFBHBIPY-XNYAHFKXSA-N 0 0 386.292 3.212 40 10 GGCBRN CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001277067 564184495 /nfs/dbraw/zinc/18/44/95/564184495.db2.gz HYLKCRPPXGVQKM-XFFZJAGNSA-N 0 0 386.292 3.213 40 10 GGCBRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cccc(Cl)c3)C2)cc1 ZINC000003047592 564193018 /nfs/dbraw/zinc/19/30/18/564193018.db2.gz DISGBSTYARFQAB-CQSZACIVSA-N 0 0 380.897 3.153 40 10 GGCBRN CC[n+]1ccc(C=C2Sc3ccccc3N2CCCS(=O)(=O)[O-])cc1 ZINC000019913283 564304542 /nfs/dbraw/zinc/30/45/42/564304542.db2.gz PVHGKXWGCJKTLG-UHFFFAOYSA-O 0 0 377.511 3.213 40 10 GGCBRN COC(=O)CC1=NN(c2ccccc2Cl)C(=O)C1=C(C)NCc1ccccn1 ZINC000019894257 570227811 /nfs/dbraw/zinc/22/78/11/570227811.db2.gz VXKABQWDAVPRNP-UYRXBGFRSA-N 0 0 398.850 3.065 40 10 GGCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000020528803 570253714 /nfs/dbraw/zinc/25/37/14/570253714.db2.gz SCEXQKQMWLFBMQ-UHFFFAOYSA-N 0 0 391.811 3.346 40 10 GGCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020452607 570257863 /nfs/dbraw/zinc/25/78/63/570257863.db2.gz BIXWMNGXMMEORO-NRFANRHFSA-N 0 0 384.476 3.006 40 10 GGCBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020458461 570259933 /nfs/dbraw/zinc/25/99/33/570259933.db2.gz YMQMIXIOKBELKH-OAQYLSRUSA-N 0 0 384.476 3.210 40 10 GGCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000001281124 570260103 /nfs/dbraw/zinc/26/01/03/570260103.db2.gz YDGHGMUNHGTZMW-GDNBJRDFSA-N 0 0 399.453 3.449 40 10 GGCBRN CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000001416540 570262398 /nfs/dbraw/zinc/26/23/98/570262398.db2.gz OZKHKJIMPOTFPF-FOWTUZBSSA-N 0 0 383.498 3.299 40 10 GGCBRN Cc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC000015811908 570264819 /nfs/dbraw/zinc/26/48/19/570264819.db2.gz MNLGNYSYHBGMGM-OAHLLOKOSA-N 0 0 385.464 3.264 40 10 GGCBRN CCN(CC)c1ccc(CN(C(=O)CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000006241410 570347821 /nfs/dbraw/zinc/34/78/21/570347821.db2.gz VIBDKVJASUNZOO-IBGZPJMESA-N 0 0 380.554 3.095 40 10 GGCBRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057669918 570367444 /nfs/dbraw/zinc/36/74/44/570367444.db2.gz UBZNMDAQNCJRSK-LJQANCHMSA-N 0 0 386.544 3.346 40 10 GGCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 ZINC000223574679 570472405 /nfs/dbraw/zinc/47/24/05/570472405.db2.gz JAIZMBGLGDFQHX-RTWAWAEBSA-N 0 0 392.528 3.454 40 10 GGCBRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000224684421 570524467 /nfs/dbraw/zinc/52/44/67/570524467.db2.gz YUFUSWURRDCZRR-SFHVURJKSA-N 0 0 394.515 3.486 40 10 GGCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000059435762 570653852 /nfs/dbraw/zinc/65/38/52/570653852.db2.gz XAAJBIZXPWWEPW-BOPFTXTBSA-N 0 0 383.400 3.170 40 10 GGCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000059959212 570660470 /nfs/dbraw/zinc/66/04/70/570660470.db2.gz HCAIYIMAZBWDAT-WQRHYEAKSA-N 0 0 394.383 3.481 40 10 GGCBRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120679786 570664860 /nfs/dbraw/zinc/66/48/60/570664860.db2.gz DBEXKYGWKYXDOQ-UHFFFAOYSA-N 0 0 393.802 3.154 40 10 GGCBRN O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000006948832 570677008 /nfs/dbraw/zinc/67/70/08/570677008.db2.gz WPFLPLSLABOGIP-SXGWCWSVSA-N 0 0 378.482 3.482 40 10 GGCBRN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285084 570677192 /nfs/dbraw/zinc/67/71/92/570677192.db2.gz HQXQDIXVWVTXDB-UHFFFAOYSA-N 0 0 394.393 3.237 40 10 GGCBRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000052636417 570687919 /nfs/dbraw/zinc/68/79/19/570687919.db2.gz GBWSXVLFJRFMMX-KRWDZBQOSA-N 0 0 379.504 3.333 40 10 GGCBRN CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@@H]1OCc1ccccc1 ZINC000004565861 570728781 /nfs/dbraw/zinc/72/87/81/570728781.db2.gz NHAQKEYPUCFXEJ-ZQNQSHIBSA-N 0 0 386.376 3.101 40 10 GGCBRN CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S ZINC000006568858 570747302 /nfs/dbraw/zinc/74/73/02/570747302.db2.gz AXWJUABYGHFNEL-MHWRWJLKSA-N 0 0 393.443 3.085 40 10 GGCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)NC1=S ZINC000006630129 570748059 /nfs/dbraw/zinc/74/80/59/570748059.db2.gz HEULBFAFFKPMBR-WOJGMQOQSA-N 0 0 381.501 3.358 40 10 GGCBRN CCN(CC)c1ccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)cc1 ZINC000013547110 570757476 /nfs/dbraw/zinc/75/74/76/570757476.db2.gz UNJBKOQHLABJCF-RGEXLXHISA-N 0 0 390.512 3.136 40 10 GGCBRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000013649676 570766868 /nfs/dbraw/zinc/76/68/68/570766868.db2.gz HLTRSKJQKIFDJR-UHFFFAOYSA-N 0 0 389.477 3.372 40 10 GGCBRN CCOC(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000007180668 570810984 /nfs/dbraw/zinc/81/09/84/570810984.db2.gz YBCNBSIFKDKQSS-UHFFFAOYSA-N 0 0 375.446 3.302 40 10 GGCBRN CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] ZINC000037246066 570824046 /nfs/dbraw/zinc/82/40/46/570824046.db2.gz DTOKMRPGYNPGPJ-LXFSFDBISA-N 0 0 386.376 3.101 40 10 GGCBRN Cn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000036616435 570887932 /nfs/dbraw/zinc/88/79/32/570887932.db2.gz HKRCVNOWZYZPMN-UHFFFAOYSA-N 0 0 375.476 3.376 40 10 GGCBRN CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] ZINC000257347625 570910337 /nfs/dbraw/zinc/91/03/37/570910337.db2.gz NHAQKEYPUCFXEJ-QKGCVVFFSA-N 0 0 386.376 3.101 40 10 GGCBRN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCc1ccccc1 ZINC000017077192 570916273 /nfs/dbraw/zinc/91/62/73/570916273.db2.gz PARIEYGCIJHOFJ-PGMHBOJBSA-N 0 0 377.444 3.059 40 10 GGCBRN Cc1n[nH]c(C)c1CCc1cc(=O)n2ncc(C(=O)Nc3ccc(C)cc3)c2[nH]1 ZINC000019210699 570960436 /nfs/dbraw/zinc/96/04/36/570960436.db2.gz PJPWBDMVESFBHS-UHFFFAOYSA-N 0 0 390.447 3.121 40 10 GGCBRN C[C@@H](NC(=O)c1cc2c(nc1N)CCN(C)C2)c1ccc(N2CCCCC2)cc1 ZINC000019700651 571031297 /nfs/dbraw/zinc/03/12/97/571031297.db2.gz ADSLVLABDNBTBL-MRXNPFEDSA-N 0 0 393.535 3.133 40 10 GGCBRN COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000002377737 1398308903 /nfs/dbraw/zinc/30/89/03/1398308903.db2.gz PYESAXGAGLPNCO-MSUUIHNZSA-N 0 0 396.493 3.461 40 10 GGCBRN COc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O ZINC000002423636 1398310488 /nfs/dbraw/zinc/31/04/88/1398310488.db2.gz QRGASWRFMGXLNG-XDJHFCHBSA-N 0 0 379.485 3.488 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)o3)CC2)cc1 ZINC000027980492 1400114711 /nfs/dbraw/zinc/11/47/11/1400114711.db2.gz ATMDEDHZJZMQHA-UHFFFAOYSA-N 0 0 394.475 3.112 40 10 GGCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O ZINC000108987917 1411655206 /nfs/dbraw/zinc/65/52/06/1411655206.db2.gz NETRUJQHCUYJDW-MHWRWJLKSA-N 0 0 392.452 3.334 40 10 GGCBRN O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 ZINC000199426121 1433352709 /nfs/dbraw/zinc/35/27/09/1433352709.db2.gz ATAWWAOAFZZEIM-FQEVSTJZSA-N 0 0 380.488 3.474 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1 ZINC000206184013 1433353582 /nfs/dbraw/zinc/35/35/82/1433353582.db2.gz VEEHQMJEAYTCFY-GXDHUFHOSA-N 0 0 385.426 3.141 40 10 GGCBRN COc1ccc(C(=O)NC2(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000226297974 1433368505 /nfs/dbraw/zinc/36/85/05/1433368505.db2.gz RKJURCBVWXVSKX-UHFFFAOYSA-N 0 0 392.455 3.123 40 10 GGCBRN Cc1cccc(C(=O)NC2(NC3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000226297998 1433368545 /nfs/dbraw/zinc/36/85/45/1433368545.db2.gz CAEGCEXUMAOOFO-UHFFFAOYSA-N 0 0 376.456 3.423 40 10 GGCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226863791 1433369160 /nfs/dbraw/zinc/36/91/60/1433369160.db2.gz OKKHTBKXSYRCCV-PYIVIEQSSA-N 0 0 394.431 3.141 40 10 GGCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1C ZINC000111505521 231021658 /nfs/dbraw/zinc/02/16/58/231021658.db2.gz CEULHPJEPOEZGH-CXUHLZMHSA-N 0 0 388.265 3.497 40 10 GGCBRN S=C(NCCCc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000408586536 231068753 /nfs/dbraw/zinc/06/87/53/231068753.db2.gz OXBCTZCVMJWOSC-UHFFFAOYSA-N 0 0 383.517 3.045 40 10 GGCBRN O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408870490 231123579 /nfs/dbraw/zinc/12/35/79/231123579.db2.gz FJSLMGIPWVUJPY-UHFFFAOYSA-N 0 0 388.448 3.333 40 10 GGCBRN O=C1NC(=S)NC(=O)C1=Cc1c(Cc2cccc(F)c2)ccc2ccccc21 ZINC000408869973 231123690 /nfs/dbraw/zinc/12/36/90/231123690.db2.gz URQTVBWSLINJGU-UHFFFAOYSA-N 0 0 390.439 3.484 40 10 GGCBRN COCCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409129507 231168029 /nfs/dbraw/zinc/16/80/29/231168029.db2.gz GSRMEXHLAIVDDS-UKTHLTGXSA-N 0 0 385.283 3.198 40 10 GGCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1C ZINC000409157388 231172930 /nfs/dbraw/zinc/17/29/30/231172930.db2.gz VHWPLJBBHGTTLX-RQZCQDPDSA-N 0 0 398.440 3.390 40 10 GGCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccn1 ZINC000409092848 231158286 /nfs/dbraw/zinc/15/82/86/231158286.db2.gz ZSQYSTFCTMVHMF-MHWRWJLKSA-N 0 0 399.472 3.477 40 10 GGCBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 ZINC000409325718 231189758 /nfs/dbraw/zinc/18/97/58/231189758.db2.gz ABZMDCJCPXDJOH-RQZCQDPDSA-N 0 0 398.440 3.390 40 10 GGCBRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1I ZINC000409347326 231193405 /nfs/dbraw/zinc/19/34/05/231193405.db2.gz LUSIDPSANCPPFM-UXBLZVDNSA-N 0 0 391.255 3.131 40 10 GGCBRN CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C1=O ZINC000408849075 530039793 /nfs/dbraw/zinc/03/97/93/530039793.db2.gz UYIUGLBLEQEXRR-SAPNQHFASA-N 0 0 379.416 3.279 40 10 GGCBRN COc1cc(/C=C2\C(C)=NN(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000005719273 209125151 /nfs/dbraw/zinc/12/51/51/209125151.db2.gz IISXCDAWBYBLQE-CXUHLZMHSA-N 0 0 399.834 3.019 40 10 GGCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000005851068 209123276 /nfs/dbraw/zinc/12/32/76/209123276.db2.gz PTOJFFRHURENIX-LICLKQGHSA-N 0 0 397.412 3.280 40 10 GGCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1 ZINC000004745392 209119672 /nfs/dbraw/zinc/11/96/72/209119672.db2.gz NEHKKKJFUVIHBO-RVDMUPIBSA-N 0 0 388.539 3.308 40 10 GGCBRN O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1N1CCOCC1 ZINC000054360929 209113764 /nfs/dbraw/zinc/11/37/64/209113764.db2.gz QJRUILKSGFPWGA-UVTDQMKNSA-N 0 0 391.905 3.337 40 10 GGCBRN Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S ZINC000054361131 209113540 /nfs/dbraw/zinc/11/35/40/209113540.db2.gz MKRLFKWTBZBEQW-DHDCSXOGSA-N 0 0 396.453 3.077 40 10 GGCBRN O=C(NN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S)c1cccnc1 ZINC000054361084 209112239 /nfs/dbraw/zinc/11/22/39/209112239.db2.gz BGKHVJSQAJINKN-YBEGLDIGSA-N 0 0 392.465 3.176 40 10 GGCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O ZINC000026593405 206254425 /nfs/dbraw/zinc/25/44/25/206254425.db2.gz HCTDIGCYGWWZCE-OVDNTTTISA-N 0 0 392.440 3.377 40 10 GGCBRN Cc1cccc(C(=O)NC2(N3CCC(C)CC3)C(=O)c3ccccc3C2=O)c1 ZINC000226297578 206258312 /nfs/dbraw/zinc/25/83/12/206258312.db2.gz UBDNPBOXPLDHBV-UHFFFAOYSA-N 0 0 376.456 3.232 40 10 GGCBRN COc1ccc(C(=O)NC2(Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000226297703 206258893 /nfs/dbraw/zinc/25/88/93/206258893.db2.gz VSXILEKUPXDCEC-UHFFFAOYSA-N 0 0 386.407 3.313 40 10 GGCBRN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)N2)c1C ZINC000027692562 206253325 /nfs/dbraw/zinc/25/33/25/206253325.db2.gz CPEQKISIEJJBIJ-STZFKDTASA-N 0 0 390.487 3.387 40 10 GGCBRN COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O ZINC000035040724 206305174 /nfs/dbraw/zinc/30/51/74/206305174.db2.gz NWSWLGSAQGIJBH-RIYZIHGNSA-N 0 0 377.443 3.404 40 10 GGCBRN COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O ZINC000001248536 206369946 /nfs/dbraw/zinc/36/99/46/206369946.db2.gz FUNYLXZPVPBDDD-XNTDXEJSSA-N 0 0 388.445 3.381 40 10 GGCBRN COc1cc(/C=C2\C(=O)N=C3SN=C(SC(C)C)N3C2=N)ccc1O ZINC000004916987 206571755 /nfs/dbraw/zinc/57/17/55/206571755.db2.gz JROOXIRDBPLORW-GDWDSQERSA-N 0 0 376.463 3.119 40 10 GGCBRN CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OCC)cc3)S2)C1 ZINC000006388029 206648880 /nfs/dbraw/zinc/64/88/80/206648880.db2.gz IIOHJJSECNRROH-UHVIJJLKSA-N 0 0 388.489 3.331 40 10 GGCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(O)c4)S3)CC2)cc1 ZINC000009188212 206776410 /nfs/dbraw/zinc/77/64/10/206776410.db2.gz PBKBFYKHLHBVPT-RGEXLXHISA-N 0 0 395.484 3.193 40 10 GGCBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)cc1 ZINC000009263298 206781256 /nfs/dbraw/zinc/78/12/56/206781256.db2.gz WBXYZPVJEUITKY-KGENOOAVSA-N 0 0 391.471 3.233 40 10 GGCBRN COC(=O)c1[nH]c2ccccc2c1/N=N/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016042056 207071523 /nfs/dbraw/zinc/07/15/23/207071523.db2.gz IXWNPEOFLGJGLY-WGZLRRDASA-N 0 0 391.431 3.234 40 10 GGCBRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1cc(C)ccc1O)C2 ZINC000019133549 207104584 /nfs/dbraw/zinc/10/45/84/207104584.db2.gz MSIDIPCHURHMRC-HXUWFJFHSA-N 0 0 380.492 3.122 40 10 GGCBRN CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3cc(C)ccc3O)ncc2C1 ZINC000019133524 207104903 /nfs/dbraw/zinc/10/49/03/207104903.db2.gz ODOBZPJWOJACHK-FQEVSTJZSA-N 0 0 380.492 3.122 40 10 GGCBRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1cc(C)ccc1O)C2 ZINC000019133552 207105074 /nfs/dbraw/zinc/10/50/74/207105074.db2.gz MSIDIPCHURHMRC-FQEVSTJZSA-N 0 0 380.492 3.122 40 10 GGCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000020106594 207178002 /nfs/dbraw/zinc/17/80/02/207178002.db2.gz UBFMIHLKXJPNNX-UHFFFAOYSA-N 0 0 393.531 3.439 40 10 GGCBRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000022511618 207255217 /nfs/dbraw/zinc/25/52/17/207255217.db2.gz VHWYSADQEHXCGO-MRXNPFEDSA-N 0 0 386.517 3.329 40 10 GGCBRN CC(C)OC(=O)c1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000040040112 207336591 /nfs/dbraw/zinc/33/65/91/207336591.db2.gz AHHOLZHYSROXEH-UHFFFAOYSA-N 0 0 388.217 3.372 40 10 GGCBRN CN(C)c1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 ZINC000040118496 207342635 /nfs/dbraw/zinc/34/26/35/207342635.db2.gz LGUBVDWFNQSGKA-CRALUGIISA-N 0 0 395.528 3.212 40 10 GGCBRN COc1cc(OC)c(OC)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O ZINC000409135001 533049728 /nfs/dbraw/zinc/04/97/28/533049728.db2.gz PDRNUTUMIPAXAM-YVLHZVERSA-N 0 0 398.440 3.113 40 10 GGCBRN O=C(c1n[nH]c(=O)c2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000098076229 208366983 /nfs/dbraw/zinc/36/69/83/208366983.db2.gz JUKDJHWFNHJKDC-UHFFFAOYSA-N 0 0 375.384 3.064 40 10 GGCBRN O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccccc1 ZINC000001465964 208498028 /nfs/dbraw/zinc/49/80/28/208498028.db2.gz BFWFAUSRAACVLI-WJDWOHSUSA-N 0 0 398.465 3.004 40 10 GGCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 ZINC000223574771 208905709 /nfs/dbraw/zinc/90/57/09/208905709.db2.gz JAIZMBGLGDFQHX-SFTDATJTSA-N 0 0 392.528 3.454 40 10 GGCBRN COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000225419874 208951869 /nfs/dbraw/zinc/95/18/69/208951869.db2.gz HAKKIVJMTAELDC-UHFFFAOYSA-N 0 0 387.505 3.027 40 10 GGCBRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000225671259 208966330 /nfs/dbraw/zinc/96/63/30/208966330.db2.gz MOLLJDOWCOYSNO-SFHVURJKSA-N 0 0 394.515 3.486 40 10 GGCBRN Cc1cc(=O)n2nc(CN3CCCc4cc(OC(F)(F)F)ccc43)sc2n1 ZINC000029923764 208973097 /nfs/dbraw/zinc/97/30/97/208973097.db2.gz TZADSXSOBAOJGA-UHFFFAOYSA-N 0 0 396.394 3.311 40 10 GGCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N2O1 ZINC000041078401 209096151 /nfs/dbraw/zinc/09/61/51/209096151.db2.gz CNNOQHUJZXBCNS-GESHDMKESA-N 0 0 391.358 3.495 40 10 GGCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N2O1 ZINC000041078396 209095115 /nfs/dbraw/zinc/09/51/15/209095115.db2.gz RGGXRWUCBWLLFL-AMWUQPRHSA-N 0 0 391.358 3.495 40 10 GGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1O ZINC000041076780 209094089 /nfs/dbraw/zinc/09/40/89/209094089.db2.gz TVNDZDVFKKGPLI-FPGBZSMLSA-N 0 0 382.401 3.051 40 10 GGCBRN Cc1nn2c(/C=C3/C(=N)N4N=CSC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000041074282 209093433 /nfs/dbraw/zinc/09/34/33/209093433.db2.gz JHWGSJFCUJPCDZ-WGAGLLEQSA-N 0 0 393.457 3.015 40 10 GGCBRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCCCC1 ZINC000098003871 209017956 /nfs/dbraw/zinc/01/79/56/209017956.db2.gz KFLQLKLTHJAKCM-NTCAYCPXSA-N 0 0 378.494 3.430 40 10 GGCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 ZINC000016406175 221361378 /nfs/dbraw/zinc/36/13/78/221361378.db2.gz STYGGJQRQYAPAU-UHFFFAOYSA-N 0 0 394.427 3.098 40 10 GGCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408894621 533265024 /nfs/dbraw/zinc/26/50/24/533265024.db2.gz RVMDKHBVCXBISO-ZHZULCJRSA-N 0 0 393.439 3.316 40 10 GGCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1O ZINC000408892779 533265716 /nfs/dbraw/zinc/26/57/16/533265716.db2.gz JMRKPBRUYUYVDZ-RGEXLXHISA-N 0 0 393.439 3.316 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccs1 ZINC000408533661 533266415 /nfs/dbraw/zinc/26/64/15/533266415.db2.gz ZTBOYZMUXDIQIW-WJDWOHSUSA-N 0 0 383.425 3.412 40 10 GGCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NC1CCCCC1 ZINC000112121803 533321402 /nfs/dbraw/zinc/32/14/02/533321402.db2.gz XCMVPAMXWFFNTG-ZHZULCJRSA-N 0 0 385.464 3.157 40 10 GGCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC[C@H]2CCCO2)cc1 ZINC000112122981 533430588 /nfs/dbraw/zinc/43/05/88/533430588.db2.gz SVHZGEPCEDNBFA-JSZIULHXSA-N 0 0 391.471 3.489 40 10 GGCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1O ZINC000409205470 533472820 /nfs/dbraw/zinc/47/28/20/533472820.db2.gz NITKNTZIEYQBCM-OQLLNIDSSA-N 0 0 390.486 3.365 40 10 GGCBRN COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000049740498 132438659 /nfs/dbraw/zinc/43/86/59/132438659.db2.gz AQXDBJIJYXBRHW-UHFFFAOYSA-N 0 0 390.505 3.173 40 10 GGCBRN Cc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000113776956 136192129 /nfs/dbraw/zinc/19/21/29/136192129.db2.gz ZIDCOOVBZGHIBF-ZDUSSCGKSA-N 0 0 385.533 3.316 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1 ZINC000177697831 136200962 /nfs/dbraw/zinc/20/09/62/136200962.db2.gz BIBASSYCSSDMDX-UHFFFAOYSA-N 0 0 381.407 3.452 40 10 GGCBRN COc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)CC2)cc1 ZINC000014606939 136201489 /nfs/dbraw/zinc/20/14/89/136201489.db2.gz OBUUXGODUPJHHJ-UHFFFAOYSA-N 0 0 396.878 3.426 40 10 GGCBRN Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000219861816 136204420 /nfs/dbraw/zinc/20/44/20/136204420.db2.gz ZXXVZEOGAASGOG-UHFFFAOYSA-N 0 0 393.531 3.364 40 10 GGCBRN Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223598642 136205761 /nfs/dbraw/zinc/20/57/61/136205761.db2.gz CRDDYRCRAUKNSD-ZDUSSCGKSA-N 0 0 385.533 3.410 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408994827 534143189 /nfs/dbraw/zinc/14/31/89/534143189.db2.gz JRSCNEPUVNIVKJ-UHFFFAOYSA-N 0 0 375.453 3.162 40 10 GGCBRN NC(=O)COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409352097 534344753 /nfs/dbraw/zinc/34/47/53/534344753.db2.gz WCSBKFVYYNCFKF-GDNBJRDFSA-N 0 0 376.503 3.085 40 10 GGCBRN O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409340260 534803119 /nfs/dbraw/zinc/80/31/19/534803119.db2.gz SYEPLNCRFMCCAJ-PFONDFGASA-N 0 0 382.422 3.143 40 10 GGCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(I)c1 ZINC000408765099 534805157 /nfs/dbraw/zinc/80/51/57/534805157.db2.gz BJRFHEBNMGUFKN-UHFFFAOYSA-N 0 0 398.196 3.435 40 10 GGCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\N1CCOCC1 ZINC000408532915 528146143 /nfs/dbraw/zinc/14/61/43/528146143.db2.gz MYTJXYBXWYXCSP-UVTDQMKNSA-N 0 0 378.270 3.005 40 10 GGCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC ZINC000408538929 528146440 /nfs/dbraw/zinc/14/64/40/528146440.db2.gz RONHKKAGMRRONX-UHFFFAOYSA-N 0 0 396.896 3.222 40 10 GGCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N(C)C ZINC000408533776 528149885 /nfs/dbraw/zinc/14/98/85/528149885.db2.gz PCMRFHHJDSCDLF-PTNGSMBKSA-N 0 0 390.447 3.361 40 10 GGCBRN CCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S ZINC000409349746 528162973 /nfs/dbraw/zinc/16/29/73/528162973.db2.gz QRKZXQJRVFWLPN-RVDMUPIBSA-N 0 0 393.490 3.043 40 10 GGCBRN CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409022497 528163105 /nfs/dbraw/zinc/16/31/05/528163105.db2.gz QJKOVRNZAZDKPX-FOWTUZBSSA-N 0 0 396.468 3.355 40 10 GGCBRN CCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC ZINC000112122013 528450013 /nfs/dbraw/zinc/45/00/13/528450013.db2.gz RDSUOLXDYNCKIU-ATVHPVEESA-N 0 0 386.477 3.226 40 10 GGCBRN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(CCOC)c3C)NC2=S)cc1 ZINC000409132264 528483179 /nfs/dbraw/zinc/48/31/79/528483179.db2.gz ZDMLEPVWBZTKHX-UYRXBGFRSA-N 0 0 399.516 3.412 40 10 GGCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)NC1=S ZINC000409393507 528943346 /nfs/dbraw/zinc/94/33/46/528943346.db2.gz XWTAZAHHMKILNO-GZTJUZNOSA-N 0 0 381.501 3.358 40 10 GGCBRN CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)N3CCCC3)c2)SC1=S ZINC000408578814 528968703 /nfs/dbraw/zinc/96/87/03/528968703.db2.gz ZLAUEFFMBKEFGI-WJDWOHSUSA-N 0 0 390.530 3.297 40 10 GGCBRN CCN1c2cc(C)c(C=C3C(=O)NC(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223572143 535784964 /nfs/dbraw/zinc/78/49/64/535784964.db2.gz HTFQQSCXJYKHIQ-RKPNYOAGSA-N 0 0 385.533 3.364 40 10 GGCBRN CCN1c2cc(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000113821184 535785197 /nfs/dbraw/zinc/78/51/97/535785197.db2.gz JKBVLVNKEDBFIY-UHFFFAOYSA-N 0 0 381.476 3.451 40 10 GGCBRN COc1ccc(N2CCN(C(=O)COc3cccc4c3CCCC4)CC2)cc1 ZINC000223078386 536681920 /nfs/dbraw/zinc/68/19/20/536681920.db2.gz CJBFYGGHQBVYCD-UHFFFAOYSA-N 0 0 380.488 3.302 40 10 GGCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000006348215 564223064 /nfs/dbraw/zinc/22/30/64/564223064.db2.gz VAPZADRQVDSCEG-ZSOIEALJSA-N 0 0 394.265 3.483 40 10 GGCBRN CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC ZINC000013547144 564276850 /nfs/dbraw/zinc/27/68/50/564276850.db2.gz HUHCHHLUHGIMHK-YDRQLGOLSA-N 0 0 379.503 3.474 40 10 GGCBRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1Br ZINC000026357990 564345615 /nfs/dbraw/zinc/34/56/15/564345615.db2.gz RRRSBDHXNBGYMR-UHFFFAOYSA-N 0 0 399.310 3.002 40 10 GGCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000034690882 564414149 /nfs/dbraw/zinc/41/41/49/564414149.db2.gz TYWHIKOUJZCAAQ-UKTHLTGXSA-N 0 0 376.484 3.303 40 10 GGCBRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000048356073 570242405 /nfs/dbraw/zinc/24/24/05/570242405.db2.gz JGQCUNUTAZBDHI-OAHLLOKOSA-N 0 0 386.883 3.363 40 10 GGCBRN Cc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC000015811910 570264813 /nfs/dbraw/zinc/26/48/13/570264813.db2.gz MNLGNYSYHBGMGM-HNNXBMFYSA-N 0 0 385.464 3.264 40 10 GGCBRN Oc1c2ccccc2c(O)c2c1Sc1c(O)c3ccccc3c(O)c1S2 ZINC000101332056 570282773 /nfs/dbraw/zinc/28/27/73/570282773.db2.gz BQPAVUCZTHBGEU-WTGUMLROSA-N 0 0 380.446 3.099 40 10 GGCBRN O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1CCCN1CCOCC1 ZINC000102730633 570291671 /nfs/dbraw/zinc/29/16/71/570291671.db2.gz NBGPPSDEZUVUMA-JXAWBTAJSA-N 0 0 399.541 3.158 40 10 GGCBRN O=C1C(=CNCc2ccco2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000105370384 570304947 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CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2O)C1=O ZINC000409012234 570693669 /nfs/dbraw/zinc/69/36/69/570693669.db2.gz JZASBDDLEHTTLX-SEJMYLSOSA-N 0 0 392.477 3.226 40 10 GGCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000057117854 570701333 /nfs/dbraw/zinc/70/13/33/570701333.db2.gz SMDXBRINFYVLKM-UHFFFAOYSA-N 0 0 389.521 3.143 40 10 GGCBRN CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@@H]1OCc1ccccc1 ZINC000004565862 570728716 /nfs/dbraw/zinc/72/87/16/570728716.db2.gz NHAQKEYPUCFXEJ-AICCOOGYSA-N 0 0 386.376 3.101 40 10 GGCBRN CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@@H]1OCc1ccccc1 ZINC000004565859 570728794 /nfs/dbraw/zinc/72/87/94/570728794.db2.gz NHAQKEYPUCFXEJ-JARUQAPTSA-N 0 0 386.376 3.101 40 10 GGCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(C)c1C ZINC000005571273 570733964 /nfs/dbraw/zinc/73/39/64/570733964.db2.gz WWOASOPUBWBKEG-UHFFFAOYSA-N 0 0 381.501 3.310 40 10 GGCBRN Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000005724875 570734319 /nfs/dbraw/zinc/73/43/19/570734319.db2.gz NTMQESWJRSBESN-UHFFFAOYSA-N 0 0 399.428 3.070 40 10 GGCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000013649599 570766788 /nfs/dbraw/zinc/76/67/88/570766788.db2.gz RMKSXHKWFXFNER-UHFFFAOYSA-N 0 0 379.504 3.444 40 10 GGCBRN CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@@H]1N=[N+]=[N-] ZINC000037246065 570824010 /nfs/dbraw/zinc/82/40/10/570824010.db2.gz DTOKMRPGYNPGPJ-AHDPXTMNSA-N 0 0 386.376 3.101 40 10 GGCBRN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(C(C)C)c3)cc2)CC1 ZINC000032858244 570856019 /nfs/dbraw/zinc/85/60/19/570856019.db2.gz BKVSHSJMPJYGKP-UHFFFAOYSA-N 0 0 395.503 3.496 40 10 GGCBRN CCCC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000257318412 570906938 /nfs/dbraw/zinc/90/69/38/570906938.db2.gz VNVBIPTYJPITLR-UAPYVXQJSA-N 0 0 385.552 3.408 40 10 GGCBRN CC(=O)N[C@H]1[C@H](N=[N+]=[N-])[C@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@H]1N=[N+]=[N-] ZINC000257347313 570910519 /nfs/dbraw/zinc/91/05/19/570910519.db2.gz DTOKMRPGYNPGPJ-VYDRJRHOSA-N 0 0 386.376 3.101 40 10 GGCBRN COC(CNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1)OC ZINC000017078275 570917372 /nfs/dbraw/zinc/91/73/72/570917372.db2.gz UBMRCENEMUVKQA-RGEXLXHISA-N 0 0 383.423 3.059 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000005977586 1398497751 /nfs/dbraw/zinc/49/77/51/1398497751.db2.gz KWQVCHGOOGOSMV-PDGQHHTCSA-N 0 0 394.383 3.481 40 10 GGCBRN NC(=O)COc1ccc(Cl)cc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000006045595 1398522818 /nfs/dbraw/zinc/52/28/18/1398522818.db2.gz XBMLGBRTBDBFHY-DHDCSXOGSA-N 0 0 387.848 3.287 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000006200611 1398537805 /nfs/dbraw/zinc/53/78/05/1398537805.db2.gz KPEHWAIDQSDILF-UHFFFAOYSA-N 0 0 399.447 3.353 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1F ZINC000006307915 1398541389 /nfs/dbraw/zinc/54/13/89/1398541389.db2.gz PEKPWNDOOIDQRT-ATVHPVEESA-N 0 0 395.386 3.490 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1 ZINC000006307910 1398541633 /nfs/dbraw/zinc/54/16/33/1398541633.db2.gz FWZVFYMRBXRISP-AQTBWJFISA-N 0 0 377.396 3.350 40 10 GGCBRN COc1cc(OC)c(OC)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O ZINC000008107438 1398804462 /nfs/dbraw/zinc/80/44/62/1398804462.db2.gz ITVSHMGLNHNNOY-INIZCTEOSA-N 0 0 393.486 3.277 40 10 GGCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000008117196 1398805472 /nfs/dbraw/zinc/80/54/72/1398805472.db2.gz SUQFVUGHBPJXKJ-KRWDZBQOSA-N 0 0 387.482 3.396 40 10 GGCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C ZINC000015227164 1399145922 /nfs/dbraw/zinc/14/59/22/1399145922.db2.gz WWCKREVZPQEIEF-BOPFTXTBSA-N 0 0 380.444 3.371 40 10 GGCBRN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)Nc1cccc(F)c1 ZINC000028221462 1400141095 /nfs/dbraw/zinc/14/10/95/1400141095.db2.gz WONXCIRHBYBMSE-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/35/29/50/533352950.db2.gz JCEOHPCJMQFFJD-BOPFTXTBSA-N 0 0 396.424 3.021 40 10 GGCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409338215 533473149 /nfs/dbraw/zinc/47/31/49/533473149.db2.gz FWFIBURYFWFZGJ-MDWZMJQESA-N 0 0 389.414 3.280 40 10 GGCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1O ZINC000409147838 533474603 /nfs/dbraw/zinc/47/46/03/533474603.db2.gz WNBMCLITGXIKEZ-ZROIWOOFSA-N 0 0 388.832 3.455 40 10 GGCBRN COc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC ZINC000409083942 533565651 /nfs/dbraw/zinc/56/56/51/533565651.db2.gz UXEXABUZDZIDPL-WPBJZHHJSA-N 0 0 379.503 3.392 40 10 GGCBRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000048356072 132432781 /nfs/dbraw/zinc/43/27/81/132432781.db2.gz JGQCUNUTAZBDHI-HNNXBMFYSA-N 0 0 386.883 3.363 40 10 GGCBRN COc1ccc(N2CCN(c3nc(-c4ccccc4Cl)cc(=O)[nH]3)CC2)cc1 ZINC000014608489 136201746 /nfs/dbraw/zinc/20/17/46/136201746.db2.gz PPYGGQDZLBAWAQ-UHFFFAOYSA-N 0 0 396.878 3.426 40 10 GGCBRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000016134450 136201965 /nfs/dbraw/zinc/20/19/65/136201965.db2.gz VHKSZXAMACCFHK-JXMROGBWSA-N 0 0 381.432 3.103 40 10 GGCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000223700928 136205912 /nfs/dbraw/zinc/20/59/12/136205912.db2.gz QMVRMZCBZWWDHS-OAHLLOKOSA-N 0 0 389.477 3.310 40 10 GGCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCOCC2)nc1 ZINC000223952278 136206104 /nfs/dbraw/zinc/20/61/04/136206104.db2.gz CUVDPEWBZYFRCP-UHFFFAOYSA-N 0 0 397.548 3.005 40 10 GGCBRN Cc1c(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408913048 533701282 /nfs/dbraw/zinc/70/12/82/533701282.db2.gz KCLHYFMIFUZGEA-LDADJPATSA-N 0 0 389.480 3.255 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408997781 534142936 /nfs/dbraw/zinc/14/29/36/534142936.db2.gz SVMBGDHGTQKOFW-UHFFFAOYSA-N 0 0 381.501 3.306 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409069455 534226290 /nfs/dbraw/zinc/22/62/90/534226290.db2.gz JBZFRZZNPQYMEI-DWKHYPNZSA-N 0 0 399.472 3.395 40 10 GGCBRN CCN1c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C ZINC000113789002 527995260 /nfs/dbraw/zinc/99/52/60/527995260.db2.gz TZAGQWZFVHKVTM-CYBMUJFWSA-N 0 0 385.533 3.397 40 10 GGCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S ZINC000409390804 528943678 /nfs/dbraw/zinc/94/36/78/528943678.db2.gz FSKDGFFKWMYFPQ-CXUHLZMHSA-N 0 0 387.892 3.394 40 10 GGCBRN CCN1c2cc(C)c(C=C3C(=O)NC(=S)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000208511928 535784969 /nfs/dbraw/zinc/78/49/69/535784969.db2.gz UFPLFEXOMZHSTB-MHWRWJLKSA-N 0 0 383.517 3.273 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1 ZINC000152375019 536689817 /nfs/dbraw/zinc/68/98/17/536689817.db2.gz WDSWDGNMFDMAEB-UHFFFAOYSA-N 0 0 388.471 3.423 40 10 GGCBRN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514289503 560032293 /nfs/dbraw/zinc/03/22/93/560032293.db2.gz MTAHIUUTXKNSNS-RDJZCZTQSA-N 0 0 379.460 3.424 40 10 biogenic,in-vitro GGCBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C ZINC000004894785 564209536 /nfs/dbraw/zinc/20/95/36/564209536.db2.gz RDPBZVBDCJBCET-LCYFTJDESA-N 0 0 380.238 3.150 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1Cl ZINC000005128945 564213224 /nfs/dbraw/zinc/21/32/24/564213224.db2.gz JGSGNJFMHFRFTB-MDWZMJQESA-N 0 0 375.862 3.281 40 10 GGCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000006348211 564223156 /nfs/dbraw/zinc/22/31/56/564223156.db2.gz KUVNUKULENJGSH-JYRVWZFOSA-N 0 0 380.238 3.236 40 10 GGCBRN CCN1C(=O)[C@H](Cc2cc(Br)c(OC)c(OC)c2)SC1=S ZINC000006952490 564229709 /nfs/dbraw/zinc/22/97/09/564229709.db2.gz HOXUVAXJKUEQGV-NSHDSACASA-N 0 0 390.324 3.258 40 10 GGCBRN O=C1[C@H](Cc2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 ZINC000006970944 564230200 /nfs/dbraw/zinc/23/02/00/564230200.db2.gz VGTIKCLTURQWCY-HNNXBMFYSA-N 0 0 392.889 3.435 40 10 GGCBRN CN(C)c1ccc(CNC(=O)c2cccc(I)c2)cc1 ZINC000015134374 564284586 /nfs/dbraw/zinc/28/45/86/564284586.db2.gz IAMQMFHGWTWNCE-UHFFFAOYSA-N 0 0 380.229 3.287 40 10 GGCBRN CC(=O)Oc1ccc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O ZINC000058866110 564690457 /nfs/dbraw/zinc/69/04/57/564690457.db2.gz GTZRXIMCGVYJBB-UHFFFAOYSA-N 0 0 395.205 3.128 40 10 GGCBRN Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])[C@H](CO)[C@@H]1O ZINC000585294926 570274633 /nfs/dbraw/zinc/27/46/33/570274633.db2.gz LQDXJNSVLBQAMM-SZVBFZGTSA-N 0 0 381.394 3.041 40 10 GGCBRN COc1ccc2c(c1)CCCN2CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000022015299 570301864 /nfs/dbraw/zinc/30/18/64/570301864.db2.gz HHOYZBNSCMMUQW-UHFFFAOYSA-N 0 0 397.866 3.321 40 10 GGCBRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000010548212 570329056 /nfs/dbraw/zinc/32/90/56/570329056.db2.gz ZXSGXPKEHRFAQV-UHFFFAOYSA-N 0 0 397.500 3.396 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000003388142 570344514 /nfs/dbraw/zinc/34/45/14/570344514.db2.gz VESXSOROGKBYTH-OQLLNIDSSA-N 0 0 384.417 3.099 40 10 GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 ZINC000604379909 570351817 /nfs/dbraw/zinc/35/18/17/570351817.db2.gz TZZLSFDQMRMADF-XXLATIFVSA-N 0 0 376.449 3.266 40 10 biogenic,in-vitro GGCBRN CC(=O)Oc1ccc(/C=C2\C(=O)N=C3SN=C(SC(C)C)N3C2=N)cc1 ZINC000004916969 570365365 /nfs/dbraw/zinc/36/53/65/570365365.db2.gz JFOCMFZPHONQGI-ILZPQDLUSA-N 0 0 388.474 3.330 40 10 GGCBRN CN1N=C(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)CCC1=O ZINC000010913691 570365553 /nfs/dbraw/zinc/36/55/53/570365553.db2.gz MICWZRLYTPDQCA-QFIPXVFZSA-N 0 0 387.439 3.359 40 10 GGCBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)C1=S=CC=C1 ZINC000408628373 570380869 /nfs/dbraw/zinc/38/08/69/570380869.db2.gz SARBWSXBRFKOLP-UHFFFAOYSA-N 0 0 394.481 3.289 40 10 GGCBRN COc1ccc(NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2)c(OC)c1 ZINC000005373298 570435731 /nfs/dbraw/zinc/43/57/31/570435731.db2.gz UOMSBNHEEXWBFX-NXVVXOECSA-N 0 0 381.413 3.109 40 10 GGCBRN CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3ccccc3)cc2)SC1=S ZINC000005374702 570435988 /nfs/dbraw/zinc/43/59/88/570435988.db2.gz WKYRMQLPNMJDTE-LGMDPLHJSA-N 0 0 382.510 3.490 40 10 GGCBRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c(Cl)nc2ccccn21 ZINC000054037706 570438073 /nfs/dbraw/zinc/43/80/73/570438073.db2.gz ORNWELWVZJUOFR-UHFFFAOYSA-N 0 0 386.908 3.471 40 10 GGCBRN COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005552981 570446070 /nfs/dbraw/zinc/44/60/70/570446070.db2.gz IALFCOQIBSTZDV-YBEGLDIGSA-N 0 0 398.465 3.054 40 10 GGCBRN COc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCc1ccccc1 ZINC000408761135 570470659 /nfs/dbraw/zinc/47/06/59/570470659.db2.gz IEORJGURZNQYCF-WQRHYEAKSA-N 0 0 382.441 3.381 40 10 GGCBRN CCN(CC)c1ccc(/C=C\C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 ZINC000031871482 570507078 /nfs/dbraw/zinc/50/70/78/570507078.db2.gz CQMQPWOPDADRPR-KTKRTIGZSA-N 0 0 385.533 3.468 40 10 GGCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838946 570624267 /nfs/dbraw/zinc/62/42/67/570624267.db2.gz MEFLCCMXXJTJTM-HNNXBMFYSA-N 0 0 399.516 3.357 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000044281628 570632782 /nfs/dbraw/zinc/63/27/82/570632782.db2.gz VQQBNULNAOKXOV-UHFFFAOYSA-N 0 0 396.878 3.497 40 10 GGCBRN CN1C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N(C)C1=S ZINC000059140017 570650683 /nfs/dbraw/zinc/65/06/83/570650683.db2.gz FQNQEDTVGOVONA-UHFFFAOYSA-N 0 0 384.432 3.003 40 10 GGCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000059139680 570650702 /nfs/dbraw/zinc/65/07/02/570650702.db2.gz DYNNOCCSZRAAJR-UHFFFAOYSA-N 0 0 381.501 3.310 40 10 GGCBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2c1 ZINC000059109590 570653796 /nfs/dbraw/zinc/65/37/96/570653796.db2.gz KJVUYYIRKIFGRU-UHFFFAOYSA-N 0 0 398.484 3.236 40 10 GGCBRN CCOc1ccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)cc1 ZINC000059435630 570653915 /nfs/dbraw/zinc/65/39/15/570653915.db2.gz BDIOMPPRWZFYPH-UNOMPAQXSA-N 0 0 378.428 3.353 40 10 GGCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)S1 ZINC000408762934 570667620 /nfs/dbraw/zinc/66/76/20/570667620.db2.gz LXGWINAIISNKQA-YVLHZVERSA-N 0 0 392.440 3.248 40 10 GGCBRN COc1cc(/C=C2\C(C)=NN(C(=O)c3ccccc3)C2=O)cc(OC)c1OC ZINC000408935087 570686839 /nfs/dbraw/zinc/68/68/39/570686839.db2.gz GMMSGXBZXMHPNY-MHWRWJLKSA-N 0 0 380.400 3.154 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000408992594 570690258 /nfs/dbraw/zinc/69/02/58/570690258.db2.gz SONWYEKRCDMGRH-UHFFFAOYSA-N 0 0 375.453 3.162 40 10 GGCBRN CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057669472 570702818 /nfs/dbraw/zinc/70/28/18/570702818.db2.gz BOQCXHVGULPCPC-HXUWFJFHSA-N 0 0 384.528 3.460 40 10 GGCBRN CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057669469 570702889 /nfs/dbraw/zinc/70/28/89/570702889.db2.gz BOQCXHVGULPCPC-FQEVSTJZSA-N 0 0 384.528 3.460 40 10 GGCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005570673 570733944 /nfs/dbraw/zinc/73/39/44/570733944.db2.gz HUQSLSNASFJCHO-UHFFFAOYSA-N 0 0 381.501 3.310 40 10 GGCBRN CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 ZINC000005568927 570734025 /nfs/dbraw/zinc/73/40/25/570734025.db2.gz WHCHWOOKRUMGSM-UHFFFAOYSA-N 0 0 397.500 3.092 40 10 GGCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000006348231 570740823 /nfs/dbraw/zinc/74/08/23/570740823.db2.gz ORCHDAAGRPKADJ-GDNBJRDFSA-N 0 0 389.448 3.041 40 10 GGCBRN COc1ccc(CSCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000013647988 570766361 /nfs/dbraw/zinc/76/63/61/570766361.db2.gz ITDDRYFFSUFRGD-UHFFFAOYSA-N 0 0 386.517 3.081 40 10 GGCBRN CC(=O)NC1=NC(=O)/C(=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)S1 ZINC000008559044 570770792 /nfs/dbraw/zinc/77/07/92/570770792.db2.gz WENYYGWGTHBOJX-MKPGZACHSA-N 0 0 383.473 3.104 40 10 GGCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010113277 570782278 /nfs/dbraw/zinc/78/22/78/570782278.db2.gz QNDBOHQJPRUJDP-UHFFFAOYSA-N 0 0 375.812 3.015 40 10 GGCBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113208 570782295 /nfs/dbraw/zinc/78/22/95/570782295.db2.gz ILPGUCLKNZUDGZ-UHFFFAOYSA-N 0 0 375.450 3.064 40 10 GGCBRN Cc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccccc1Cl ZINC000007243628 570818787 /nfs/dbraw/zinc/81/87/87/570818787.db2.gz BAXSPAVVHIUDCQ-UHFFFAOYSA-N 0 0 396.878 3.190 40 10 GGCBRN CC(=O)NN1C(=O)/C(=C2/Oc3ccc(-c4ccccc4)cc3N2C)SC1=S ZINC000013549574 570851677 /nfs/dbraw/zinc/85/16/77/570851677.db2.gz FLCXWLREMIEIOS-VLGSPTGOSA-N 0 0 397.481 3.263 40 10 GGCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000013562948 570851721 /nfs/dbraw/zinc/85/17/21/570851721.db2.gz FIAQFYXFHUFEPE-UYRXBGFRSA-N 0 0 396.406 3.247 40 10 GGCBRN CCOc1ccc(N2CC(=O)N3CCC[C@H](c4ccccc4)N3C(=O)C2)cc1 ZINC000005393101 570897930 /nfs/dbraw/zinc/89/79/30/570897930.db2.gz YLPVMVFYOFVHQW-HXUWFJFHSA-N 0 0 379.460 3.013 40 10 GGCBRN CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-] ZINC000257347312 570910440 /nfs/dbraw/zinc/91/04/40/570910440.db2.gz DTOKMRPGYNPGPJ-QRTUWBSPSA-N 0 0 386.376 3.101 40 10 GGCBRN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccc(F)cc1 ZINC000017081665 570915878 /nfs/dbraw/zinc/91/58/78/570915878.db2.gz KRRNWSPYEVVHJC-MOSHPQCFSA-N 0 0 399.397 3.294 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000003077618 1398326809 /nfs/dbraw/zinc/32/68/09/1398326809.db2.gz AGCLKJKMSANXLA-NTEUORMPSA-N 0 0 385.426 3.141 40 10 GGCBRN C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S ZINC000006027025 1398521352 /nfs/dbraw/zinc/52/13/52/1398521352.db2.gz UKNJVRBWPXOUBT-XDJHFCHBSA-N 0 0 391.496 3.482 40 10 GGCBRN Oc1c2ccccc2c(O)c2c1Sc1c(O)c3ccccc3c(O)c1S2 ZINC000014983597 1399129524 /nfs/dbraw/zinc/12/95/24/1399129524.db2.gz BQPAVUCZTHBGEU-JVSBHGNQSA-N 0 0 380.446 3.099 40 10 GGCBRN CC(C)Nc1nc(NC(C)C)[nH]c(=NNC(=S)Nc2cccc(Cl)c2)n1 ZINC000027546091 1400053060 /nfs/dbraw/zinc/05/30/60/1400053060.db2.gz CCAVMPMYHRMQLN-UHFFFAOYSA-N 0 0 394.936 3.479 40 10 GGCBRN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1O ZINC000027549201 1400054103 /nfs/dbraw/zinc/05/41/03/1400054103.db2.gz AEVSFQLHTSTZEL-PBGDOYKQSA-N 0 0 392.440 3.377 40 10 GGCBRN CCOc1ccc(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000102545977 1410647772 /nfs/dbraw/zinc/64/77/72/1410647772.db2.gz KTUYWYAGSFPBFT-SFQUDFHCSA-N 0 0 381.457 3.236 40 10 GGCBRN CCCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000107567790 1411388371 /nfs/dbraw/zinc/38/83/71/1411388371.db2.gz XFHVTDPDXGGZEW-UHFFFAOYSA-N 0 0 399.447 3.355 40 10 GGCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(C(C)C)c3C)C2=O)o1 ZINC000107763438 1411407535 /nfs/dbraw/zinc/40/75/35/1411407535.db2.gz BAUFKJNGCAYECL-SXGWCWSVSA-N 0 0 385.420 3.158 40 10 GGCBRN NC(=O)COc1cccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)c1 ZINC000109023127 1411663814 /nfs/dbraw/zinc/66/38/14/1411663814.db2.gz FZEGNKSAHBNTGO-DHDCSXOGSA-N 0 0 387.848 3.287 40 10 GGCBRN Cc1cc(I)cc(/C=C2/SC(=S)N(C)C2=O)c1O ZINC000113831086 231022197 /nfs/dbraw/zinc/02/21/97/231022197.db2.gz LBQKAWAMFYJYGZ-WEVVVXLNSA-N 0 0 391.255 3.136 40 10 GGCBRN Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 ZINC000408865739 231122543 /nfs/dbraw/zinc/12/25/43/231122543.db2.gz DUWFQDFCUFAOAO-UHFFFAOYSA-N 0 0 384.888 3.462 40 10 GGCBRN Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000408875439 231124063 /nfs/dbraw/zinc/12/40/63/231124063.db2.gz FPZYDGKBJVZZDR-UHFFFAOYSA-N 0 0 386.860 3.142 40 10 GGCBRN Cc1cccc(Cn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3ccccc32)c1 ZINC000408912414 231129465 /nfs/dbraw/zinc/12/94/65/231129465.db2.gz FYPLRNVTOKFGSD-WOJGMQOQSA-N 0 0 389.480 3.255 40 10 GGCBRN O=C1/C(=C\c2ccc(N3CCOCC3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973812 231138827 /nfs/dbraw/zinc/13/88/27/231138827.db2.gz VIDQTJXKMPDVNF-QINSGFPZSA-N 0 0 391.349 3.465 40 10 GGCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 ZINC000409151072 231171780 /nfs/dbraw/zinc/17/17/80/231171780.db2.gz AABHVQIDLKPKPN-CXUHLZMHSA-N 0 0 384.413 3.081 40 10 GGCBRN O=C1NC(=Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409073995 231155349 /nfs/dbraw/zinc/15/53/49/231155349.db2.gz OYBQNFRFZRFSSI-LDADJPATSA-N 0 0 383.835 3.274 40 10 GGCBRN COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1C ZINC000409078856 231155941 /nfs/dbraw/zinc/15/59/41/231155941.db2.gz ILZJKUUSXIXDDD-GRRFOWRYSA-N 0 0 379.503 3.392 40 10 GGCBRN Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409191872 231177272 /nfs/dbraw/zinc/17/72/72/231177272.db2.gz PHOCANZCYHXNCR-WOJGMQOQSA-N 0 0 390.399 3.429 40 10 GGCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1C ZINC000409333113 231190875 /nfs/dbraw/zinc/19/08/75/231190875.db2.gz IUQBGRLYWPUGMW-RQZCQDPDSA-N 0 0 398.440 3.390 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409340339 231192536 /nfs/dbraw/zinc/19/25/36/231192536.db2.gz VMFFOVDOBJUYQF-VIZOYTHASA-N 0 0 387.530 3.464 40 10 GGCBRN COC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1C ZINC000225798373 222698022 /nfs/dbraw/zinc/69/80/22/222698022.db2.gz CVXQSBDWZSBLSQ-UHFFFAOYSA-N 0 0 387.505 3.213 40 10 GGCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S ZINC000001809399 212257529 /nfs/dbraw/zinc/25/75/29/212257529.db2.gz OYGGZDQVQNPRQB-GDNBJRDFSA-N 0 0 395.502 3.248 40 10 GGCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)cc1 ZINC000001297737 212234180 /nfs/dbraw/zinc/23/41/80/212234180.db2.gz KPEZRZAJJZMTAR-NTCAYCPXSA-N 0 0 378.519 3.297 40 10 GGCBRN COc1nc(Nc2ccc(N)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000001102724 212216821 /nfs/dbraw/zinc/21/68/21/212216821.db2.gz FAQGBHLKVHUUGH-UHFFFAOYSA-N 0 0 383.252 3.078 40 10 GGCBRN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000000862487 212189835 /nfs/dbraw/zinc/18/98/35/212189835.db2.gz KCQZAIYYDAKNPB-LJQANCHMSA-N 0 0 380.448 3.028 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OC)c1O ZINC000000897992 212193373 /nfs/dbraw/zinc/19/33/73/212193373.db2.gz SXGSLKYMQNDTTL-KAMYIIQDSA-N 0 0 383.375 3.417 40 10 GGCBRN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000033531788 212111488 /nfs/dbraw/zinc/11/14/88/212111488.db2.gz VVYYVNZKHLJAGR-LXPIUTEMSA-N 0 0 379.445 3.439 40 10 GGCBRN CSc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000034377469 212110576 /nfs/dbraw/zinc/11/05/76/212110576.db2.gz XYUBBVIRGAWUHT-PYDVBCTCSA-N 0 0 379.470 3.471 40 10 GGCBRN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c2C)cc1 ZINC000033363914 212110628 /nfs/dbraw/zinc/11/06/28/212110628.db2.gz DOPINQSSHHLLDA-LXPIUTEMSA-N 0 0 379.445 3.352 40 10 GGCBRN COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000409230754 532957919 /nfs/dbraw/zinc/95/79/19/532957919.db2.gz GCQJXJWBJMYKGH-XSFVSMFZSA-N 0 0 377.444 3.338 40 10 GGCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O ZINC000409096881 533200083 /nfs/dbraw/zinc/20/00/83/533200083.db2.gz GVVYFXIEHAQCDH-ZRRZQRFHSA-N 0 0 378.425 3.024 40 10 GGCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1O ZINC000005371975 220862561 /nfs/dbraw/zinc/86/25/61/220862561.db2.gz NWSWLGSAQGIJBH-ZSOIEALJSA-N 0 0 377.443 3.404 40 10 GGCBRN CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000006203706 220924059 /nfs/dbraw/zinc/92/40/59/220924059.db2.gz BBRKZGJRVGIPSL-UHFFFAOYSA-N 0 0 395.459 3.176 40 10 GGCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4ccc([N+](=O)[O-])o4)C3=N)S2)c1 ZINC000006412218 220934084 /nfs/dbraw/zinc/93/40/84/220934084.db2.gz ZWOAGUHLJDGYSX-PEMMUPCOSA-N 0 0 381.373 3.164 40 10 GGCBRN COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000007850456 221014472 /nfs/dbraw/zinc/01/44/72/221014472.db2.gz KUPOCADVRCCDTI-UHFFFAOYSA-N 0 0 398.488 3.088 40 10 GGCBRN CN1N=C(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)CCC1=O ZINC000010913695 221109392 /nfs/dbraw/zinc/10/93/92/221109392.db2.gz MICWZRLYTPDQCA-JOCHJYFZSA-N 0 0 387.439 3.359 40 10 GGCBRN COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)ccc4[nH]3)CC2)cc1 ZINC000013204185 221262502 /nfs/dbraw/zinc/26/25/02/221262502.db2.gz ZHQQPUKGJIIKAZ-UHFFFAOYSA-N 0 0 396.516 3.321 40 10 GGCBRN Cc1cc(-c2cc3nc(C)c(C)c(NCCc4ccc(O)c(O)c4)n3n2)no1 ZINC000013225862 221264376 /nfs/dbraw/zinc/26/43/76/221264376.db2.gz ZMTUFXMDKFXASH-UHFFFAOYSA-N 0 0 379.420 3.375 40 10 GGCBRN CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccc2c(c1)OCCO2 ZINC000013483281 221270825 /nfs/dbraw/zinc/27/08/25/221270825.db2.gz FMWXTYJZYFHWCZ-UHFFFAOYSA-N 0 0 394.427 3.097 40 10 GGCBRN COc1ccccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000013547690 221271399 /nfs/dbraw/zinc/27/13/99/221271399.db2.gz OZXQOWHOABZEPV-HKWRFOASSA-N 0 0 393.512 3.483 40 10 GGCBRN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc2c(c1)C(=O)NC2=O ZINC000016160803 221358317 /nfs/dbraw/zinc/35/83/17/221358317.db2.gz KJYAOSPOSMKQHN-UNOMPAQXSA-N 0 0 396.406 3.442 40 10 GGCBRN O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000016399897 221361584 /nfs/dbraw/zinc/36/15/84/221361584.db2.gz AVLKBAWCWSHDLM-SDQBBNPISA-N 0 0 387.735 3.461 40 10 GGCBRN Oc1c2ccccc2c(O)c2c1Sc1c(O)c3ccccc3c(O)c1S2 ZINC000017747978 221384973 /nfs/dbraw/zinc/38/49/73/221384973.db2.gz BQPAVUCZTHBGEU-MUGJNUQGSA-N 0 0 380.446 3.099 40 10 GGCBRN CCN1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000018208855 221389809 /nfs/dbraw/zinc/38/98/09/221389809.db2.gz FJDLKGQIFWRIDC-QRVBRYPASA-N 0 0 399.878 3.272 40 10 GGCBRN CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000018847068 221392714 /nfs/dbraw/zinc/39/27/14/221392714.db2.gz XHTAAYHQCLFJHY-HKBOAZHASA-N 0 0 393.487 3.399 40 10 GGCBRN Cc1noc(C)c1CCc1cc(=O)n2ncc(C(=O)Nc3ccccc3)c2[nH]1 ZINC000019580899 221431804 /nfs/dbraw/zinc/43/18/04/221431804.db2.gz PLPBTIYAGNIJNA-UHFFFAOYSA-N 0 0 377.404 3.077 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408533620 533266850 /nfs/dbraw/zinc/26/68/50/533266850.db2.gz ZMPNTXMDSMAGHF-PDGQHHTCSA-N 0 0 393.395 3.056 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000408893915 533267331 /nfs/dbraw/zinc/26/73/31/533267331.db2.gz OJQIBYJLHNVDED-PDGQHHTCSA-N 0 0 394.383 3.481 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000409075273 533267732 /nfs/dbraw/zinc/26/77/32/533267732.db2.gz YGCBKRLDQDFLFP-BOPFTXTBSA-N 0 0 395.411 3.287 40 10 GGCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408895170 533265850 /nfs/dbraw/zinc/26/58/50/533265850.db2.gz UDHLJNTYOLZHMP-ZMTLZGASSA-N 0 0 379.815 3.331 40 10 GGCBRN COC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000008377766 533362300 /nfs/dbraw/zinc/36/23/00/533362300.db2.gz QVGRLFFWPBPJPA-GDNBJRDFSA-N 0 0 393.486 3.350 40 10 GGCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(OC)c1OC ZINC000409129326 533473957 /nfs/dbraw/zinc/47/39/57/533473957.db2.gz JIGZUKQGPFTLKF-WJDWOHSUSA-N 0 0 398.440 3.113 40 10 GGCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408753834 533474969 /nfs/dbraw/zinc/47/49/69/533474969.db2.gz KPHFKARMIRMQIA-WQRHYEAKSA-N 0 0 382.441 3.381 40 10 GGCBRN O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccnc1 ZINC000039486708 132391538 /nfs/dbraw/zinc/39/15/38/132391538.db2.gz HDSLJLKHKUPETC-SFQUDFHCSA-N 0 0 383.498 3.324 40 10 GGCBRN O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000058083204 136154443 /nfs/dbraw/zinc/15/44/43/136154443.db2.gz QWGRAMHOZFOWEU-UHFFFAOYSA-N 0 0 388.895 3.244 40 10 GGCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000065222396 136160251 /nfs/dbraw/zinc/16/02/51/136160251.db2.gz QTYWAPZNGXCSEB-OAHLLOKOSA-N 0 0 399.516 3.342 40 10 GGCBRN Cc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)[C@H](C)CC(C)(C)N2C ZINC000113776953 136192077 /nfs/dbraw/zinc/19/20/77/136192077.db2.gz ZIDCOOVBZGHIBF-CYBMUJFWSA-N 0 0 385.533 3.316 40 10 GGCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 ZINC000113778694 136192183 /nfs/dbraw/zinc/19/21/83/136192183.db2.gz NVMZZLNKCKVXER-LLVKDONJSA-N 0 0 389.883 3.496 40 10 GGCBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000140007629 136192989 /nfs/dbraw/zinc/19/29/89/136192989.db2.gz 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O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1CCCN1CCOCC1 ZINC000102733480 570291826 /nfs/dbraw/zinc/29/18/26/570291826.db2.gz GVBGJYZTEJMHIP-JXAWBTAJSA-N 0 0 399.541 3.158 40 10 GGCBRN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000023744290 570331013 /nfs/dbraw/zinc/33/10/13/570331013.db2.gz FUNXJTMZXWXXRY-NRFANRHFSA-N 0 0 381.520 3.474 40 10 GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 ZINC000604379906 570351839 /nfs/dbraw/zinc/35/18/39/570351839.db2.gz TZZLSFDQMRMADF-JPCHKZQCSA-N 0 0 376.449 3.266 40 10 biogenic,in-vitro GGCBRN CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057670589 570368204 /nfs/dbraw/zinc/36/82/04/570368204.db2.gz OITPKKAIKLDVDG-OAQYLSRUSA-N 0 0 392.507 3.003 40 10 GGCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)OC ZINC000033630117 570390145 /nfs/dbraw/zinc/39/01/45/570390145.db2.gz VDTAXQMQTUXGKV-LDADJPATSA-N 0 0 394.427 3.443 40 10 GGCBRN COc1ccc(CCN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1OC ZINC000005371630 570435447 /nfs/dbraw/zinc/43/54/47/570435447.db2.gz DPFDLWYOOCDURD-SFQUDFHCSA-N 0 0 388.514 3.486 40 10 GGCBRN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(O)c1 ZINC000005393275 570437214 /nfs/dbraw/zinc/43/72/14/570437214.db2.gz XYHSIGNFQLNBSK-UNOMPAQXSA-N 0 0 379.460 3.317 40 10 GGCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000005810742 570457886 /nfs/dbraw/zinc/45/78/86/570457886.db2.gz WFZPWBVXZMQYAY-CYVLTUHYSA-N 0 0 379.485 3.488 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1ccccc1 ZINC000006440889 570480136 /nfs/dbraw/zinc/48/01/36/570480136.db2.gz OSAQBMNODGJHOE-GXDHUFHOSA-N 0 0 385.426 3.141 40 10 GGCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O ZINC000003652524 570544077 /nfs/dbraw/zinc/54/40/77/570544077.db2.gz OOFQQSHNWLETQW-MOSHPQCFSA-N 0 0 395.434 3.064 40 10 GGCBRN COc1ccc(NC2=NC(=O)C(=C3C(=O)Nc4ccc(F)cc43)S2)c(OC)c1 ZINC000005373351 570568713 /nfs/dbraw/zinc/56/87/13/570568713.db2.gz HOFDVJXKXDOEED-NXVVXOECSA-N 0 0 399.403 3.248 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)CC2)cc1 ZINC000038851187 570587760 /nfs/dbraw/zinc/58/77/60/570587760.db2.gz WWNXFYVOMWKJCR-UHFFFAOYSA-N 0 0 390.487 3.211 40 10 GGCBRN COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)c1 ZINC000005435407 570592154 /nfs/dbraw/zinc/59/21/54/570592154.db2.gz ARFPBCJKGYWAAA-UHFFFAOYSA-N 0 0 388.401 3.140 40 10 GGCBRN COC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 ZINC000225798197 570618497 /nfs/dbraw/zinc/61/84/97/570618497.db2.gz AHVYOXVAQYOJPX-UHFFFAOYSA-N 0 0 387.505 3.213 40 10 GGCBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000225838218 570624364 /nfs/dbraw/zinc/62/43/64/570624364.db2.gz IONOGPUYUKQYNI-AWEZNQCLSA-N 0 0 385.489 3.300 40 10 GGCBRN Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225955971 570636340 /nfs/dbraw/zinc/63/63/40/570636340.db2.gz SHPDCLZIEUEXDK-UHFFFAOYSA-N 0 0 396.564 3.472 40 10 GGCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1 ZINC000033771885 570647038 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GGCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O ZINC000409228561 528952110 /nfs/dbraw/zinc/95/21/10/528952110.db2.gz ZFWWVXBOKJQPBY-LICLKQGHSA-N 0 0 381.432 3.102 40 10 GGCBRN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674912 560231319 /nfs/dbraw/zinc/23/13/19/560231319.db2.gz DGNLREAZVOSVFV-MOPGFXCFSA-N 0 0 382.439 3.250 40 10 biogenic,in-vitro GGCBRN COCCCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C ZINC000006348340 564223274 /nfs/dbraw/zinc/22/32/74/564223274.db2.gz SYUODRSPNJGNHW-KAMYIIQDSA-N 0 0 394.265 3.158 40 10 GGCBRN O=C1N=C(NNC(=S)NCc2ccco2)S/C1=C\c1ccc(Cl)cc1 ZINC000015057097 564284466 /nfs/dbraw/zinc/28/44/66/564284466.db2.gz ZDQKDIBKMPUAGF-JYRVWZFOSA-N 0 0 392.893 3.072 40 10 GGCBRN S=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 ZINC000016430793 564294270 /nfs/dbraw/zinc/29/42/70/564294270.db2.gz UHCNDKQXFIEKSI-UHFFFAOYSA-N 0 0 380.560 3.249 40 10 GGCBRN COc1cccc(C=C2SC(NN=c3[nH]c(C)c(C)s3)=NC2=O)c1O ZINC000017221908 564296963 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Oc1c2ccccc2c(O)c2c1Sc1c(O)c3ccccc3c(O)c1S2 ZINC000100253555 208374854 /nfs/dbraw/zinc/37/48/54/208374854.db2.gz BQPAVUCZTHBGEU-XLLXOSNRSA-N 0 0 380.446 3.099 40 10 GGCBRN COC(=O)c1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000001325664 208492450 /nfs/dbraw/zinc/49/24/50/208492450.db2.gz GSOHZZHXSDUOIP-UHFFFAOYSA-N 0 0 385.489 3.001 40 10 GGCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000223168816 208893980 /nfs/dbraw/zinc/89/39/80/208893980.db2.gz SCJAHNOLHNLSGV-UHFFFAOYSA-N 0 0 377.466 3.228 40 10 GGCBRN CCN(CC)c1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000225255979 208945662 /nfs/dbraw/zinc/94/56/62/208945662.db2.gz OKXZSEVZHPXESH-UHFFFAOYSA-N 0 0 389.521 3.143 40 10 GGCBRN COc1cc(Cl)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956707 208985297 /nfs/dbraw/zinc/98/52/97/208985297.db2.gz SNSMZVZSRARNDD-UHFFFAOYSA-N 0 0 377.901 3.225 40 10 GGCBRN COc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(OC)c1 ZINC000041077892 209095242 /nfs/dbraw/zinc/09/52/42/209095242.db2.gz UJVHVHDQZAEYCY-RFCLUPQTSA-N 0 0 398.469 3.433 40 10 GGCBRN CSc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 ZINC000041084834 209094883 /nfs/dbraw/zinc/09/48/83/209094883.db2.gz POPIURLAVAESCH-JCOXHHPGSA-N 0 0 385.518 3.471 40 10 GGCBRN O=C1NC(=S)S/C1=C\c1ccc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000041074258 209094124 /nfs/dbraw/zinc/09/41/24/209094124.db2.gz PZGISNKLBCEAJY-DXNYSGJVSA-N 0 0 376.371 3.072 40 10 GGCBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=CSC3=NC2=O)o1 ZINC000041076631 209093892 /nfs/dbraw/zinc/09/38/92/209093892.db2.gz LOEZZEXQAFUFHN-ZBVGZUJGSA-N 0 0 381.373 3.412 40 10 GGCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000409069462 533197906 /nfs/dbraw/zinc/19/79/06/533197906.db2.gz JBZFRZZNPQYMEI-KNGSKEOJSA-N 0 0 399.472 3.395 40 10 GGCBRN Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)n1-c1ccccc1 ZINC000007706326 221007090 /nfs/dbraw/zinc/00/70/90/221007090.db2.gz ACBIABVJMRPUOO-UHFFFAOYSA-N 0 0 397.456 3.050 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1OC ZINC000408582137 533267253 /nfs/dbraw/zinc/26/72/53/533267253.db2.gz BOXWXENWJRHMGE-ATVHPVEESA-N 0 0 394.383 3.481 40 10 GGCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(O)cc1 ZINC000409375965 533267283 /nfs/dbraw/zinc/26/72/83/533267283.db2.gz RLJNDDGFLYHDMH-ODLFYWEKSA-N 0 0 377.396 3.472 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000408770422 533268863 /nfs/dbraw/zinc/26/88/63/533268863.db2.gz XHZWDBISSOBFBQ-VBKFSLOCSA-N 0 0 395.386 3.490 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1O ZINC000408584804 533267867 /nfs/dbraw/zinc/26/78/67/533267867.db2.gz VIKLRWXRLIXSDN-WJDWOHSUSA-N 0 0 380.356 3.178 40 10 GGCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408895149 533265002 /nfs/dbraw/zinc/26/50/02/533265002.db2.gz UAJMLVOVWBIVGW-ZHZULCJRSA-N 0 0 393.439 3.316 40 10 GGCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408769924 533265006 /nfs/dbraw/zinc/26/50/06/533265006.db2.gz QRTZYTLCWHEQKL-UNOMPAQXSA-N 0 0 377.444 3.020 40 10 GGCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC[C@@H]2CCCO2)cc1 ZINC000112122979 533431581 /nfs/dbraw/zinc/43/15/81/533431581.db2.gz SVHZGEPCEDNBFA-CVVHJZTLSA-N 0 0 391.471 3.489 40 10 GGCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1O ZINC000409082434 533474094 /nfs/dbraw/zinc/47/40/94/533474094.db2.gz SIMURZNVBRSZDL-QVASGMJFSA-N 0 0 385.894 3.434 40 10 GGCBRN COc1cc(C)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC ZINC000409083939 533565541 /nfs/dbraw/zinc/56/55/41/533565541.db2.gz UXEXABUZDZIDPL-LWLPBDFMSA-N 0 0 379.503 3.392 40 10 GGCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 ZINC000113778698 136192110 /nfs/dbraw/zinc/19/21/10/136192110.db2.gz NVMZZLNKCKVXER-NSHDSACASA-N 0 0 389.883 3.496 40 10 GGCBRN COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1C ZINC000012536746 136200498 /nfs/dbraw/zinc/20/04/98/136200498.db2.gz AAKMIGATHBETAP-UHFFFAOYSA-N 0 0 384.476 3.121 40 10 GGCBRN COc1ccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[nH]3)CC2)cc1 ZINC000014608488 136201756 /nfs/dbraw/zinc/20/17/56/136201756.db2.gz ZDQLYUWIGPIVLP-UHFFFAOYSA-N 0 0 376.460 3.081 40 10 GGCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=S)N(C)C3=O)cc21 ZINC000208250863 136202869 /nfs/dbraw/zinc/20/28/69/136202869.db2.gz BOYCJEBELILSAJ-SRMXYGTFSA-N 0 0 391.924 3.319 40 10 GGCBRN Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223508099 136205834 /nfs/dbraw/zinc/20/58/34/136205834.db2.gz ATRFRNUDXYFZQH-UHFFFAOYSA-N 0 0 383.517 3.320 40 10 GGCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)cc21 ZINC000223474301 136205865 /nfs/dbraw/zinc/20/58/65/136205865.db2.gz LTUODIYRCTZUIB-MHWRWJLKSA-N 0 0 383.517 3.353 40 10 GGCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000223697059 136205949 /nfs/dbraw/zinc/20/59/49/136205949.db2.gz VHYABUKKIAZTHW-OAHLLOKOSA-N 0 0 389.477 3.310 40 10 GGCBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)cc1 ZINC000409242257 533912152 /nfs/dbraw/zinc/91/21/52/533912152.db2.gz WKJZYWTZJPGHJK-XSFVSMFZSA-N 0 0 391.471 3.233 40 10 GGCBRN O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408943926 534781736 /nfs/dbraw/zinc/78/17/36/534781736.db2.gz ZQULEHJHGFBLPJ-UYRXBGFRSA-N 0 0 397.862 3.270 40 10 GGCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(I)c1 ZINC000059513114 534805731 /nfs/dbraw/zinc/80/57/31/534805731.db2.gz CIEHGQYHFVQCGO-UHFFFAOYSA-N 0 0 384.169 3.045 40 10 GGCBRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000408586794 528046842 /nfs/dbraw/zinc/04/68/42/528046842.db2.gz BWTNYPTUZCXOQG-UHFFFAOYSA-N 0 0 391.449 3.090 40 10 GGCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408528127 528149982 /nfs/dbraw/zinc/14/99/82/528149982.db2.gz FGJBRAXTRUMDDW-GDNBJRDFSA-N 0 0 396.363 3.035 40 10 GGCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc2c(c1)n(C)c(=O)n2C ZINC000408528184 528150140 /nfs/dbraw/zinc/15/01/40/528150140.db2.gz FMZVNWORFWQGNK-PDGQHHTCSA-N 0 0 389.459 3.212 40 10 GGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O ZINC000409231886 528174274 /nfs/dbraw/zinc/17/42/74/528174274.db2.gz LNSWXVKAYWJQCE-MHWRWJLKSA-N 0 0 398.419 3.314 40 10 GGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408879882 528256722 /nfs/dbraw/zinc/25/67/22/528256722.db2.gz HPUANOXYESDDLR-UHFFFAOYSA-N 0 0 394.496 3.207 40 10 GGCBRN CCOc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1Cl ZINC000100222018 528359356 /nfs/dbraw/zinc/35/93/56/528359356.db2.gz FSCHHMMHVWTONI-OVCLIPMQSA-N 0 0 375.881 3.491 40 10 GGCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408896730 528615967 /nfs/dbraw/zinc/61/59/67/528615967.db2.gz ZLDZKURKQOEYNG-AQTBWJFISA-N 0 0 381.428 3.255 40 10 GGCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408795394 528616054 /nfs/dbraw/zinc/61/60/54/528616054.db2.gz VGWJIGCWPARFBO-KAMYIIQDSA-N 0 0 383.366 3.415 40 10 GGCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409058809 528807474 /nfs/dbraw/zinc/80/74/74/528807474.db2.gz TXKZHPPDFWVTPF-CXUHLZMHSA-N 0 0 399.472 3.397 40 10 GGCBRN CC1(C)NC(=O)N(CCCN2CCCc3cc(OC(F)(F)F)ccc32)C1=O ZINC000071970150 534978794 /nfs/dbraw/zinc/97/87/94/534978794.db2.gz VEZWAPKYQZKOKF-UHFFFAOYSA-N 0 0 385.386 3.058 40 10 GGCBRN COc1ccc(N2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000223357412 536682841 /nfs/dbraw/zinc/68/28/41/536682841.db2.gz LLSAUIRKPMJUHA-UHFFFAOYSA-N 0 0 380.488 3.302 40 10 GGCBRN Cn1c(C[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288535 560034857 /nfs/dbraw/zinc/03/48/57/560034857.db2.gz CCIDCEMTIQATBH-WMZOPIPTSA-N 0 0 393.487 3.434 40 10 biogenic,in-vitro GGCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000000843772 564181372 /nfs/dbraw/zinc/18/13/72/564181372.db2.gz CPRLHXJZPVUNHJ-UHFFFAOYSA-N 0 0 377.765 3.263 40 10 GGCBRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)C2)cc1 ZINC000003047590 564193260 /nfs/dbraw/zinc/19/32/60/564193260.db2.gz DISGBSTYARFQAB-AWEZNQCLSA-N 0 0 380.897 3.153 40 10 GGCBRN CN1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N(C)C1=O ZINC000005719693 564218627 /nfs/dbraw/zinc/21/86/27/564218627.db2.gz VPYDHQDVNVYEQJ-UHFFFAOYSA-N 0 0 389.205 3.143 40 10 GGCBRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000007146276 564232558 /nfs/dbraw/zinc/23/25/58/564232558.db2.gz UAKJWQPLQCXKEZ-UHFFFAOYSA-N 0 0 383.311 3.336 40 10 GGCBRN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1ccccc1F ZINC000012873320 564271488 /nfs/dbraw/zinc/27/14/88/564271488.db2.gz VTHUBWGHJNBWLD-SDQBBNPISA-N 0 0 379.463 3.456 40 10 GGCBRN CCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)NC1=S ZINC000101400724 564915517 /nfs/dbraw/zinc/91/55/17/564915517.db2.gz QDDDTGPZWUPXFL-WQLSENKSSA-N 0 0 399.310 3.411 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc(Br)c(N)c3)CC2)cc1 ZINC000256050519 566122762 /nfs/dbraw/zinc/12/27/62/566122762.db2.gz FILZZJUPKRCQCB-UHFFFAOYSA-N 0 0 390.281 3.002 40 10 GGCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000020528809 570253824 /nfs/dbraw/zinc/25/38/24/570253824.db2.gz NCPHJROREISISJ-UHFFFAOYSA-N 0 0 391.811 3.346 40 10 GGCBRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCCCC1 ZINC000024874911 570322454 /nfs/dbraw/zinc/32/24/54/570322454.db2.gz FWPZAZGQLVSEMU-UHFFFAOYSA-N 0 0 387.505 3.446 40 10 GGCBRN CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)N2CCCC2)SC1=S ZINC000408574795 570342235 /nfs/dbraw/zinc/34/22/35/570342235.db2.gz MTIJDSLKXJBTBD-WJDWOHSUSA-N 0 0 390.530 3.297 40 10 GGCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCC3)cc2)SC1=S ZINC000408576733 570342947 /nfs/dbraw/zinc/34/29/47/570342947.db2.gz QRWXDKBXQKJNNH-WJDWOHSUSA-N 0 0 390.530 3.297 40 10 GGCBRN O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc21 ZINC000003844881 570351637 /nfs/dbraw/zinc/35/16/37/570351637.db2.gz XWHWOCMPBKHMRB-UHFFFAOYSA-N 0 0 377.421 3.404 40 10 GGCBRN O=C(CN1CSCC1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010909787 570362560 /nfs/dbraw/zinc/36/25/60/570362560.db2.gz AFPUUDSLROLLSR-JOCHJYFZSA-N 0 0 392.480 3.284 40 10 GGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)cc1 ZINC000057669609 570367219 /nfs/dbraw/zinc/36/72/19/570367219.db2.gz KTUZEYVVCYLITL-FQEVSTJZSA-N 0 0 384.528 3.316 40 10 GGCBRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057669921 570367521 /nfs/dbraw/zinc/36/75/21/570367521.db2.gz UBZNMDAQNCJRSK-IBGZPJMESA-N 0 0 386.544 3.346 40 10 GGCBRN CC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000006460328 570429100 /nfs/dbraw/zinc/42/91/00/570429100.db2.gz HGCUGOPZFNHHGU-NSHDSACASA-N 0 0 399.830 3.187 40 10 GGCBRN O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)C1CCCCC1 ZINC000005236045 570432038 /nfs/dbraw/zinc/43/20/38/570432038.db2.gz CLGVCZXOGLSABV-GXDHUFHOSA-N 0 0 386.502 3.376 40 10 GGCBRN CCCc1ccc(C[C@]23O[C@@]2(C(=O)OCC)C(=O)c2ccccc2C3=O)cc1 ZINC000005313646 570433657 /nfs/dbraw/zinc/43/36/57/570433657.db2.gz PJSDXXBKHGOAJG-DHIUTWEWSA-N 0 0 378.424 3.332 40 10 GGCBRN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000032956443 570445173 /nfs/dbraw/zinc/44/51/73/570445173.db2.gz SPXZCFWXBAKWMZ-UHFFFAOYSA-N 0 0 395.503 3.496 40 10 GGCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 ZINC000005552975 570445742 /nfs/dbraw/zinc/44/57/42/570445742.db2.gz PUULXGNRQYQBMM-YBEGLDIGSA-N 0 0 398.465 3.054 40 10 GGCBRN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)CC1 ZINC000032956482 570447284 /nfs/dbraw/zinc/44/72/84/570447284.db2.gz CRDHZZVCFRHZLJ-UHFFFAOYSA-N 0 0 395.503 3.298 40 10 GGCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 ZINC000223598537 570473713 /nfs/dbraw/zinc/47/37/13/570473713.db2.gz KRAIVAPJHXONNV-VQTJNVASSA-N 0 0 378.501 3.146 40 10 GGCBRN CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC ZINC000027563142 570513052 /nfs/dbraw/zinc/51/30/52/570513052.db2.gz XGFJSDLZFXLWPY-GDNBJRDFSA-N 0 0 395.502 3.248 40 10 GGCBRN COc1ccccc1NC(=O)C[C@H]1SC(=S)N(Cc2ccccc2)C1=O ZINC000009189416 570551608 /nfs/dbraw/zinc/55/16/08/570551608.db2.gz YSVICYUBDPIMGN-MRXNPFEDSA-N 0 0 386.498 3.453 40 10 GGCBRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000225671235 570601032 /nfs/dbraw/zinc/60/10/32/570601032.db2.gz MOLLJDOWCOYSNO-GOSISDBHSA-N 0 0 394.515 3.486 40 10 GGCBRN COC(=O)c1cccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c1 ZINC000058865857 570648287 /nfs/dbraw/zinc/64/82/87/570648287.db2.gz UIKNXAFTCSPPGE-UHFFFAOYSA-N 0 0 382.368 3.487 40 10 GGCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000058883877 570650285 /nfs/dbraw/zinc/65/02/85/570650285.db2.gz JRMVJFJGLDUCRP-WJDWOHSUSA-N 0 0 383.400 3.170 40 10 GGCBRN CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C ZINC000059139632 570650700 /nfs/dbraw/zinc/65/07/00/570650700.db2.gz HOEFBCODGAAZSF-UHFFFAOYSA-N 0 0 381.501 3.255 40 10 GGCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000059435683 570653941 /nfs/dbraw/zinc/65/39/41/570653941.db2.gz WQHMPTDMOCSMDR-JXAWBTAJSA-N 0 0 393.439 3.316 40 10 GGCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059489877 570659022 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CN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)C(=O)N(C)C1=S ZINC000059139194 530040037 /nfs/dbraw/zinc/04/00/37/530040037.db2.gz MQEGBMKWNXGDDZ-QZQOTICOSA-N 0 0 380.429 3.406 40 10 GGCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000013675293 210077935 /nfs/dbraw/zinc/07/79/35/210077935.db2.gz MTFMVWXXJOOIPA-UHFFFAOYSA-N 0 0 375.812 3.015 40 10 GGCBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000013632167 210073536 /nfs/dbraw/zinc/07/35/36/210073536.db2.gz AWYXTHGTPFGZBG-UHFFFAOYSA-N 0 0 389.477 3.372 40 10 GGCBRN CCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000011907974 209891404 /nfs/dbraw/zinc/89/14/04/209891404.db2.gz FJDLKGQIFWRIDC-FHWLQOOXSA-N 0 0 399.878 3.272 40 10 GGCBRN CN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)SC1=S ZINC000006169377 209635510 /nfs/dbraw/zinc/63/55/10/209635510.db2.gz KVYYBHJHYYKSMB-PTNGSMBKSA-N 0 0 391.495 3.285 40 10 GGCBRN CCSC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 ZINC000005035164 209561674 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Cc1cccc(NC(=S)NN=c2nc(NC(C)C)nc(NC(C)C)[nH]2)c1C ZINC000027546106 211859228 /nfs/dbraw/zinc/85/92/28/211859228.db2.gz DUVUFLNUNIXVMY-UHFFFAOYSA-N 0 0 388.545 3.443 40 10 GGCBRN O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1CN1CCOCC1 ZINC000021762819 211744573 /nfs/dbraw/zinc/74/45/73/211744573.db2.gz SBXSMPNHQVVIJD-ATVHPVEESA-N 0 0 386.498 3.438 40 10 GGCBRN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000007129026 211581878 /nfs/dbraw/zinc/58/18/78/211581878.db2.gz JQYAPAWVPHSJEM-UHFFFAOYSA-N 0 0 379.441 3.393 40 10 GGCBRN CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000100805531 211393224 /nfs/dbraw/zinc/39/32/24/211393224.db2.gz FJDLKGQIFWRIDC-QYZOEREBSA-N 0 0 399.878 3.272 40 10 GGCBRN O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000084504630 211169304 /nfs/dbraw/zinc/16/93/04/211169304.db2.gz KIZLJGXFHLEQAB-CQSZACIVSA-N 0 0 379.254 3.304 40 10 GGCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020458463 210338650 /nfs/dbraw/zinc/33/86/50/210338650.db2.gz YMQMIXIOKBELKH-NRFANRHFSA-N 0 0 384.476 3.210 40 10 GGCBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000020452605 210336589 /nfs/dbraw/zinc/33/65/89/210336589.db2.gz BIXWMNGXMMEORO-OAQYLSRUSA-N 0 0 384.476 3.006 40 10 GGCBRN CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1 ZINC000019714499 210285298 /nfs/dbraw/zinc/28/52/98/210285298.db2.gz FHJNVXXTYXKSHR-AWEZNQCLSA-N 0 0 394.475 3.421 40 10 GGCBRN C[C@H](NC(=O)Cc1cccc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000019716240 210287896 /nfs/dbraw/zinc/28/78/96/210287896.db2.gz RCCCVGTYQNVBTO-KRWDZBQOSA-N 0 0 375.472 3.491 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408893940 533268289 /nfs/dbraw/zinc/26/82/89/533268289.db2.gz OQSRGDZGXZGQFW-WJDWOHSUSA-N 0 0 394.383 3.481 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005465378 533268520 /nfs/dbraw/zinc/26/85/20/533268520.db2.gz GCYORLBDQKYYRL-ZROIWOOFSA-N 0 0 381.359 3.432 40 10 GGCBRN COCCCN1C(=O)/C(=C\c2c(O)ccc3ccccc32)C(C(=O)OC)=C1C ZINC000408895697 533285357 /nfs/dbraw/zinc/28/53/57/533285357.db2.gz VOBQRDFHBOLRNF-AQTBWJFISA-N 0 0 381.428 3.255 40 10 GGCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c([N+](=O)[O-])cc1OC ZINC000409030657 533473811 /nfs/dbraw/zinc/47/38/11/533473811.db2.gz HJFHQJQUTAJYHE-NSIKDUERSA-N 0 0 382.463 3.469 40 10 GGCBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000408549234 533501489 /nfs/dbraw/zinc/50/14/89/533501489.db2.gz RFHHSGQPZKJYTK-YBFXNURJSA-N 0 0 395.459 3.283 40 10 GGCBRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N(C)C)cc2)C3)CC1 ZINC000072347351 136169035 /nfs/dbraw/zinc/16/90/35/136169035.db2.gz KHDFUYIIPBPNKN-UHFFFAOYSA-N 0 0 381.524 3.043 40 10 GGCBRN O=C(COc1cccc2c1CCCC2)NCc1ccc(N2CCOCC2)cc1 ZINC000096125674 136184016 /nfs/dbraw/zinc/18/40/16/136184016.db2.gz GOHBIQGPYYANIT-UHFFFAOYSA-N 0 0 380.488 3.097 40 10 GGCBRN CCN1c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000113819952 136192128 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389.477 3.310 40 10 GGCBRN CCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000224407460 136207031 /nfs/dbraw/zinc/20/70/31/136207031.db2.gz SSPCGTJOOMPGGK-UHFFFAOYSA-N 0 0 384.476 3.203 40 10 GGCBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c1 ZINC000409300751 533681584 /nfs/dbraw/zinc/68/15/84/533681584.db2.gz ASOOIJZYJHWAFK-RQZCQDPDSA-N 0 0 398.440 3.390 40 10 GGCBRN COc1ccc(CSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000408921993 533731297 /nfs/dbraw/zinc/73/12/97/533731297.db2.gz DDUHWDLFXSCXPL-UHFFFAOYSA-N 0 0 386.517 3.286 40 10 GGCBRN COc1ccc(N2N=C(C)C(=C(C)NCCOc3ccccc3OC)C2=O)cc1 ZINC000103916962 534020724 /nfs/dbraw/zinc/02/07/24/534020724.db2.gz XBJFOMNBXVQWBM-QNGOZBTKSA-N 0 0 395.459 3.369 40 10 GGCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O ZINC000409097321 534226584 /nfs/dbraw/zinc/22/65/84/534226584.db2.gz GJDSRHVMWYUSOT-HMHNVIDESA-N 0 0 392.452 3.414 40 10 GGCBRN O=C(Oc1cccc(C=C2SC(=S)NC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000408729647 534568207 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CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000409248263 528174003 /nfs/dbraw/zinc/17/40/03/528174003.db2.gz ORKMPEGNMATRPW-SFQUDFHCSA-N 0 0 381.432 3.183 40 10 GGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409250720 528174113 /nfs/dbraw/zinc/17/41/13/528174113.db2.gz NRQZZXQLVGZXFR-LDADJPATSA-N 0 0 381.432 3.183 40 10 GGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O ZINC000409250570 528174172 /nfs/dbraw/zinc/17/41/72/528174172.db2.gz RBMRAFGVBIGKDW-MHWRWJLKSA-N 0 0 398.419 3.314 40 10 GGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O ZINC000409251367 528174178 /nfs/dbraw/zinc/17/41/78/528174178.db2.gz PRZSXWFXIKKJTM-LDADJPATSA-N 0 0 395.459 3.492 40 10 GGCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OC(C)C ZINC000408964398 528256207 /nfs/dbraw/zinc/25/62/07/528256207.db2.gz GSKBWQCDHSHVIL-UHFFFAOYSA-N 0 0 396.896 3.125 40 10 GGCBRN CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409020804 528368092 /nfs/dbraw/zinc/36/80/92/528368092.db2.gz UBDSKHIGSUXJCW-CYVLTUHYSA-N 0 0 394.427 3.111 40 10 GGCBRN CCOC(=O)C(=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C)C(=O)OCC ZINC000408743314 528545894 /nfs/dbraw/zinc/54/58/94/528545894.db2.gz SBGYXCWNLATRLB-UHFFFAOYSA-N 0 0 399.443 3.390 40 10 GGCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S ZINC000409130936 528942925 /nfs/dbraw/zinc/94/29/25/528942925.db2.gz XKBQCOIAXCCTEQ-SXGWCWSVSA-N 0 0 385.514 3.141 40 10 GGCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S ZINC000409130775 528943501 /nfs/dbraw/zinc/94/35/01/528943501.db2.gz UUOLTGGLXKIQAF-BOPFTXTBSA-N 0 0 399.541 3.485 40 10 GGCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S ZINC000409390503 528943652 /nfs/dbraw/zinc/94/36/52/528943652.db2.gz DMKSYIKWFSCXIY-GXDHUFHOSA-N 0 0 387.892 3.394 40 10 GGCBRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC000040104175 536686248 /nfs/dbraw/zinc/68/62/48/536686248.db2.gz DZYANWNJYNLUCJ-UHFFFAOYSA-N 0 0 391.374 3.371 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cnc(-c4cccc(F)c4)nc3)CC2)cc1 ZINC000222625934 536689525 /nfs/dbraw/zinc/68/95/25/536689525.db2.gz MWZPGOBHPDXALE-UHFFFAOYSA-N 0 0 392.434 3.254 40 10 GGCBRN COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000015674684 560095195 /nfs/dbraw/zinc/09/51/95/560095195.db2.gz RIUNVLISWKUCIS-QUCCMNQESA-N 0 0 394.475 3.119 40 10 biogenic,in-vitro GGCBRN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674618 560231066 /nfs/dbraw/zinc/23/10/66/560231066.db2.gz NKQDAFLIQLZIDW-UXHICEINSA-N 0 0 378.476 3.034 40 10 biogenic,in-vitro GGCBRN CN1c2ccc(Br)cc2[C@@]2(NN=C(Cc3ccccc3)S2)C1=O ZINC000000834593 564181182 /nfs/dbraw/zinc/18/11/82/564181182.db2.gz JHZBXRSXWRTWET-KRWDZBQOSA-N 0 0 388.290 3.471 40 10 GGCBRN Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)n1 ZINC000004745531 564205963 /nfs/dbraw/zinc/20/59/63/564205963.db2.gz FORYBIXIEWKUAG-YRNVUSSQSA-N 0 0 379.488 3.275 40 10 GGCBRN O=C1[C@@H](Cc2cc3c(cc2Cl)OCO3)SC(=S)N1Cc1cccnc1 ZINC000006970953 564229985 /nfs/dbraw/zinc/22/99/85/564229985.db2.gz VGTIKCLTURQWCY-OAHLLOKOSA-N 0 0 392.889 3.435 40 10 GGCBRN Cc1csc(NC(=O)CN2C(=O)/C(=C\c3ccccc3F)SC2=S)n1 ZINC000006974138 564230341 /nfs/dbraw/zinc/23/03/41/564230341.db2.gz UCXADVJUHVAELL-WUXMJOGZSA-N 0 0 393.490 3.431 40 10 GGCBRN COCCN1C(=O)[C@@H](Cc2cc(Cl)cc(Cl)c2OC)SC1=S ZINC000008104683 564246058 /nfs/dbraw/zinc/24/60/58/564246058.db2.gz VYPYZESHCJUPCT-LLVKDONJSA-N 0 0 380.318 3.420 40 10 GGCBRN CCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000009188426 564252807 /nfs/dbraw/zinc/25/28/07/564252807.db2.gz GBYSPJMVMSYQMA-KHPPLWFESA-N 0 0 383.292 3.383 40 10 GGCBRN CCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC ZINC000027532009 564355140 /nfs/dbraw/zinc/35/51/40/564355140.db2.gz JTDADWQDNBQRNH-UHFFFAOYSA-N 0 0 399.266 3.001 40 10 GGCBRN Oc1ccc(Br)cc1[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000031771975 564392264 /nfs/dbraw/zinc/39/22/64/564392264.db2.gz XBWYVAVHKZBVJT-GOSISDBHSA-N 0 0 392.249 3.305 40 10 GGCBRN 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LCNZBVAZKFYHSX-LJQANCHMSA-N 0 0 386.544 3.490 40 10 GGCBRN Cc1cc(C(=O)NCCc2nnc3ccccn32)c(C)n1-c1ccccc1F ZINC000025466758 570414323 /nfs/dbraw/zinc/41/43/23/570414323.db2.gz XRDGWVGTAKONNK-UHFFFAOYSA-N 0 0 377.423 3.248 40 10 GGCBRN Cn1c(C=C2SC(Nc3ccc4c(c3)OCO4)=NC2=O)nc2ccccc21 ZINC000005236011 570431982 /nfs/dbraw/zinc/43/19/82/570431982.db2.gz XGNCKDPIQGNFAS-CXUHLZMHSA-N 0 0 378.413 3.384 40 10 GGCBRN COc1ccc(NC2=NC(=O)C(=C3c4ccccc4N(C)C3=O)S2)c(OC)c1 ZINC000005373315 570435641 /nfs/dbraw/zinc/43/56/41/570435641.db2.gz WINKBYQDPYXSSB-MSUUIHNZSA-N 0 0 395.440 3.133 40 10 GGCBRN COc1ccc(/C=C2\SC(=S)N(C(=O)c3cccnc3)C2=O)c(OC)c1 ZINC000005513231 570443542 /nfs/dbraw/zinc/44/35/42/570443542.db2.gz IGDDILXSGPGRKJ-NVNXTCNLSA-N 0 0 386.454 3.140 40 10 GGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)C)c3ccccc3)CC2)cc1 ZINC000035289883 570455331 /nfs/dbraw/zinc/45/53/31/570455331.db2.gz WQZILHHWIRUVGI-NRFANRHFSA-N 0 0 392.507 3.174 40 10 GGCBRN COC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000036635228 570566577 /nfs/dbraw/zinc/56/65/77/570566577.db2.gz WOWCOVCTKTVCGF-HNNXBMFYSA-N 0 0 384.413 3.070 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCC(C)(C)CO4)CC2)cc1 ZINC000225361724 570567058 /nfs/dbraw/zinc/56/70/58/570567058.db2.gz QKUPKJHIQDNGNY-UHFFFAOYSA-N 0 0 396.487 3.455 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCC3(CC3)CO4)CC2)cc1 ZINC000225367204 570568068 /nfs/dbraw/zinc/56/80/68/570568068.db2.gz RCULHDYXGKQQKL-UHFFFAOYSA-N 0 0 394.471 3.209 40 10 GGCBRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000225421126 570572508 /nfs/dbraw/zinc/57/25/08/570572508.db2.gz NFNMPLOXBUYEPL-UHFFFAOYSA-N 0 0 399.516 3.187 40 10 GGCBRN CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000012136872 570614017 /nfs/dbraw/zinc/61/40/17/570614017.db2.gz LWEQHWFCVCJSOH-MRXNPFEDSA-N 0 0 383.429 3.242 40 10 GGCBRN C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005507463 570616517 /nfs/dbraw/zinc/61/65/17/570616517.db2.gz VZZPHXKYMZIPAK-GFCCVEGCSA-N 0 0 377.396 3.132 40 10 GGCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C2=N)S1 ZINC000004616393 570631287 /nfs/dbraw/zinc/63/12/87/570631287.db2.gz KBKBDBKBCMVDHW-ADDWOTBTSA-N 0 0 388.449 3.132 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3cc4cccc(C)c4oc3=O)CC2)cc1 ZINC000226035448 570639122 /nfs/dbraw/zinc/63/91/22/570639122.db2.gz PYPKYWWYIOSRCE-UHFFFAOYSA-N 0 0 378.428 3.072 40 10 GGCBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000044900919 570640461 /nfs/dbraw/zinc/64/04/61/570640461.db2.gz IQHALVOYTXACML-UHFFFAOYSA-N 0 0 389.477 3.205 40 10 GGCBRN Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000044910926 570642094 /nfs/dbraw/zinc/64/20/94/570642094.db2.gz WHXJHWLGUOSZTA-UHFFFAOYSA-N 0 0 390.487 3.006 40 10 GGCBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033782536 570647194 /nfs/dbraw/zinc/64/71/94/570647194.db2.gz GHXNSWOAYUXCSQ-ZROIWOOFSA-N 0 0 399.790 3.274 40 10 GGCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000058884012 570650248 /nfs/dbraw/zinc/65/02/48/570650248.db2.gz RMBDMWILENSQIU-WQRHYEAKSA-N 0 0 394.383 3.481 40 10 GGCBRN Cc1cccc(COc2ccccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 ZINC000059140023 570650685 /nfs/dbraw/zinc/65/06/85/570650685.db2.gz JCDINQVFDSOUFW-UHFFFAOYSA-N 0 0 380.469 3.173 40 10 GGCBRN CCOc1ccc2ccc(OCC)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2c1 ZINC000059109614 570653777 /nfs/dbraw/zinc/65/37/77/570653777.db2.gz ZXBRIOAFKRKUFL-UHFFFAOYSA-N 0 0 382.416 3.071 40 10 GGCBRN C/C=C/C=C/C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006642495 570672265 /nfs/dbraw/zinc/67/22/65/570672265.db2.gz CDFFXAXMITURCL-TWKNZMHGSA-N 0 0 375.380 3.076 40 10 GGCBRN Cc1c(C)c(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000068561817 570673622 /nfs/dbraw/zinc/67/36/22/570673622.db2.gz NAXNDBVSPZVRHR-LEWJYISDSA-N 0 0 396.560 3.263 40 10 GGCBRN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)c(C)s2)no1 ZINC000006680181 570674516 /nfs/dbraw/zinc/67/45/16/570674516.db2.gz RSBJOLXDSVYJAB-UHFFFAOYSA-N 0 0 393.446 3.112 40 10 GGCBRN O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285026 570677195 /nfs/dbraw/zinc/67/71/95/570677195.db2.gz MCLYCPAAIRJHIY-UHFFFAOYSA-N 0 0 376.456 3.372 40 10 GGCBRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000052636418 570688066 /nfs/dbraw/zinc/68/80/66/570688066.db2.gz GBWSXVLFJRFMMX-QGZVFWFLSA-N 0 0 379.504 3.333 40 10 GGCBRN Cn1c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2n(C)c1=O ZINC000006320594 570741728 /nfs/dbraw/zinc/74/17/28/570741728.db2.gz BMACHYCDQGATCD-CXUHLZMHSA-N 0 0 399.472 3.422 40 10 GGCBRN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)cc1 ZINC000006942708 570750967 /nfs/dbraw/zinc/75/09/67/570750967.db2.gz XXJCRJIRIPIFAY-GXDHUFHOSA-N 0 0 384.413 3.220 40 10 GGCBRN CCOc1cccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)c1O ZINC000006964922 570754111 /nfs/dbraw/zinc/75/41/11/570754111.db2.gz RDXZJLVXZADOCO-WJDWOHSUSA-N 0 0 383.400 3.257 40 10 GGCBRN CC(C)N1c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C ZINC000260567934 570832913 /nfs/dbraw/zinc/83/29/13/570832913.db2.gz MYOOVAQZCDTARJ-BVTUPMQUSA-N 0 0 385.533 3.444 40 10 GGCBRN CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])[C@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@H]1N=[N+]=[N-] ZINC000257347311 570910425 /nfs/dbraw/zinc/91/04/25/570910425.db2.gz DTOKMRPGYNPGPJ-NJVJYBDUSA-N 0 0 386.376 3.101 40 10 GGCBRN COc1ccc(N2N=C(C)C(=C(C)NCCSCc3[nH]cnc3C)C2=O)cc1 ZINC000017081753 570915826 /nfs/dbraw/zinc/91/58/26/570915826.db2.gz XREPQASSAJXYAT-RGEXLXHISA-N 0 0 399.520 3.246 40 10 GGCBRN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccccc1 ZINC000017077920 570917260 /nfs/dbraw/zinc/91/72/60/570917260.db2.gz CTZZJNZISXAWDL-ZHZULCJRSA-N 0 0 381.407 3.155 40 10 GGCBRN Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(N3CCCC3)c([N+](=O)[O-])c1)S2 ZINC000020427326 570946831 /nfs/dbraw/zinc/94/68/31/570946831.db2.gz GSNYWGPJXWTBOM-OAHLLOKOSA-N 0 0 388.478 3.383 40 10 GGCBRN Cc1nnc2n1N1C(=CS[C@H]1c1ccc(N3CCCC3)c([N+](=O)[O-])c1)S2 ZINC000020427322 570946877 /nfs/dbraw/zinc/94/68/77/570946877.db2.gz GSNYWGPJXWTBOM-HNNXBMFYSA-N 0 0 388.478 3.383 40 10 GGCBRN CCCCN1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000004166161 570967043 /nfs/dbraw/zinc/96/70/43/570967043.db2.gz XHTAAYHQCLFJHY-NJYVYQBISA-N 0 0 393.487 3.399 40 10 GGCBRN Cc1nc2c(C)cccn2c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000019716773 571038686 /nfs/dbraw/zinc/03/86/86/571038686.db2.gz ULJKRURNIXFFIB-MRXNPFEDSA-N 0 0 378.476 3.279 40 10 GGCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCc1ccccc1 ZINC000005879814 1398489981 /nfs/dbraw/zinc/48/99/81/1398489981.db2.gz YZFOSTUFYXMXHR-UHFFFAOYSA-N 0 0 382.441 3.071 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000006050330 1398523430 /nfs/dbraw/zinc/52/34/30/1398523430.db2.gz BTXCBDSDQZSVRC-PDGQHHTCSA-N 0 0 395.386 3.490 40 10 GGCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000006763697 1398567392 /nfs/dbraw/zinc/56/73/92/1398567392.db2.gz CFJOWACINGBIOH-BOPFTXTBSA-N 0 0 380.356 3.178 40 10 GGCBRN COc1ccc(CN2C(=O)[C@@H](Cc3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000008117206 1398805481 /nfs/dbraw/zinc/80/54/81/1398805481.db2.gz SUQFVUGHBPJXKJ-QGZVFWFLSA-N 0 0 387.482 3.396 40 10 GGCBRN COc1ccc(N2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000057363716 1407596092 /nfs/dbraw/zinc/59/60/92/1407596092.db2.gz YXIHFZNSUALXFQ-OQOKOFKUSA-N 0 0 397.563 3.291 40 10 GGCBRN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCCc1ccccc1 ZINC000102563491 1410651154 /nfs/dbraw/zinc/65/11/54/1410651154.db2.gz MBEOHGAYYWKBHJ-OBGWFSINSA-N 0 0 383.517 3.248 40 10 GGCBRN CC[C@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108978130 1411653457 /nfs/dbraw/zinc/65/34/57/1411653457.db2.gz SNVJFDPHSVMVAM-CCNLRRDASA-N 0 0 379.460 3.391 40 10 GGCBRN Cc1ccc(COc2ccccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000059140021 230942968 /nfs/dbraw/zinc/94/29/68/230942968.db2.gz OCYKKBHVUXRSRV-UHFFFAOYSA-N 0 0 380.469 3.173 40 10 GGCBRN O=C1NC(=S)NC(=O)C1=Cc1c(Cc2ccccc2F)ccc2ccccc21 ZINC000408878780 231123666 /nfs/dbraw/zinc/12/36/66/231123666.db2.gz BCBBZKYXRCNOTB-UHFFFAOYSA-N 0 0 390.439 3.484 40 10 GGCBRN Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 ZINC000408868214 231123772 /nfs/dbraw/zinc/12/37/72/231123772.db2.gz NASBRAXYWYPSCQ-UHFFFAOYSA-N 0 0 386.860 3.142 40 10 GGCBRN CCOc1ccccc1/C=C1\C(=O)N(Cc2cccnc2)C(C)=C1C(=O)OC ZINC000408999625 231144568 /nfs/dbraw/zinc/14/45/68/231144568.db2.gz VFCHUAOHOSBLGV-PDGQHHTCSA-N 0 0 378.428 3.353 40 10 GGCBRN COCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C ZINC000409000138 231145134 /nfs/dbraw/zinc/14/51/34/231145134.db2.gz XFLAMYBEZTVMNG-KAMYIIQDSA-N 0 0 383.366 3.415 40 10 GGCBRN COCCN1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)N(c2ccccc2)C1=O ZINC000409013170 231147249 /nfs/dbraw/zinc/14/72/49/231147249.db2.gz LWLVQXADEKZWSQ-KAMYIIQDSA-N 0 0 390.848 3.427 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408913547 231130092 /nfs/dbraw/zinc/13/00/92/231130092.db2.gz LSAMIHMOQAPWNG-OVCLIPMQSA-N 0 0 387.892 3.312 40 10 GGCBRN Cc1ccc(Cn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000408914543 231130342 /nfs/dbraw/zinc/13/03/42/231130342.db2.gz QLROVIWZALMAII-WOJGMQOQSA-N 0 0 389.480 3.255 40 10 GGCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1N1CCOCC1 ZINC000409076198 231154976 /nfs/dbraw/zinc/15/49/76/231154976.db2.gz ZKWYAKRBCKUVIN-CPNJWEJPSA-N 0 0 395.434 3.064 40 10 GGCBRN COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(OC)c1C ZINC000409078857 231156008 /nfs/dbraw/zinc/15/60/08/231156008.db2.gz ILZJKUUSXIXDDD-MLJKTZRHSA-N 0 0 379.503 3.392 40 10 GGCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)c1 ZINC000409207981 231180681 /nfs/dbraw/zinc/18/06/81/231180681.db2.gz AEXDLTUYNGCJOT-MHWRWJLKSA-N 0 0 384.482 3.265 40 10 GGCBRN Cn1c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2n(C)c1=O ZINC000409326552 231189970 /nfs/dbraw/zinc/18/99/70/231189970.db2.gz CBUFKFYHNCPCMP-WJDWOHSUSA-N 0 0 387.530 3.411 40 10 GGCBRN Cn1c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2n(C)c1=O ZINC000409351171 231194481 /nfs/dbraw/zinc/19/44/81/231194481.db2.gz ZWYSREKVPMKPCU-BOPFTXTBSA-N 0 0 395.509 3.278 40 10 GGCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 ZINC000223598594 222636871 /nfs/dbraw/zinc/63/68/71/222636871.db2.gz KRAIVAPJHXONNV-PMACEKPBSA-N 0 0 378.501 3.146 40 10 GGCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)n1-c1ccccc1 ZINC000223598435 222637071 /nfs/dbraw/zinc/63/70/71/222637071.db2.gz KRAIVAPJHXONNV-WOJBJXKFSA-N 0 0 378.501 3.146 40 10 GGCBRN CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000225425722 222676435 /nfs/dbraw/zinc/67/64/35/222676435.db2.gz DPFXQSFKRYJGKD-UHFFFAOYSA-N 0 0 382.533 3.475 40 10 GGCBRN CN1C(=O)/C(=C\c2ccc(Br)o2)C(=O)N(c2ccccc2)C1=O ZINC000408850626 530039807 /nfs/dbraw/zinc/03/98/07/530039807.db2.gz PTFCAZZEAZKBIW-FMIVXFBMSA-N 0 0 375.178 3.051 40 10 GGCBRN CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000408912450 530039835 /nfs/dbraw/zinc/03/98/35/530039835.db2.gz QUVRMZTZLQHMDR-XYOKQWHBSA-N 0 0 378.862 3.341 40 10 GGCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225798868 222697787 /nfs/dbraw/zinc/69/77/87/222697787.db2.gz DXOZICZLQLGHNK-UHFFFAOYSA-N 0 0 398.532 3.245 40 10 GGCBRN O=C(CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)OC1CCCCC1 ZINC000001239047 212232910 /nfs/dbraw/zinc/23/29/10/212232910.db2.gz IPRIQDSKZPIEKN-XNTDXEJSSA-N 0 0 377.487 3.469 40 10 GGCBRN O=C1NC(=S)S/C1=C\c1nn(Cc2ccccc2)cc1-c1cccnc1 ZINC000009592692 212201729 /nfs/dbraw/zinc/20/17/29/212201729.db2.gz SXPPPQBJDJNEHI-MFOYZWKCSA-N 0 0 378.482 3.482 40 10 GGCBRN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCCN1CCOCC1 ZINC000031768819 212159661 /nfs/dbraw/zinc/15/96/61/212159661.db2.gz NPFPDDWKYGNTAV-NTCAYCPXSA-N 0 0 382.938 3.264 40 10 GGCBRN Cc1ccc(C(=O)NC2(NCc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000226298060 212114325 /nfs/dbraw/zinc/11/43/25/212114325.db2.gz LJJKNOZEQKZLII-UHFFFAOYSA-N 0 0 384.435 3.290 40 10 GGCBRN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccccc1O ZINC000033535476 212110857 /nfs/dbraw/zinc/11/08/57/212110857.db2.gz 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CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 ZINC000009189815 221073367 /nfs/dbraw/zinc/07/33/67/221073367.db2.gz UZMNTVYFMBLCCW-NBVRZTHBSA-N 0 0 376.485 3.212 40 10 GGCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccn1 ZINC000011640024 221119017 /nfs/dbraw/zinc/11/90/17/221119017.db2.gz VXDBYXIAGRIIQS-SDNWHVSQSA-N 0 0 387.461 3.451 40 10 GGCBRN NC1=NC(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)S1 ZINC000013150182 221263115 /nfs/dbraw/zinc/26/31/15/221263115.db2.gz KPGLVNVWELOYNI-OQLLNIDSSA-N 0 0 387.848 3.287 40 10 GGCBRN CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1 ZINC000013280887 221263658 /nfs/dbraw/zinc/26/36/58/221263658.db2.gz KOJLZPVSRBMOCT-ZFRJSZHUSA-N 0 0 380.389 3.025 40 10 GGCBRN COc1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)c(OC)c1 ZINC000016215416 221359546 /nfs/dbraw/zinc/35/95/46/221359546.db2.gz XWBGFNWMTDHCOF-YBEGLDIGSA-N 0 0 378.519 3.348 40 10 GGCBRN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCC ZINC000020608698 221503221 /nfs/dbraw/zinc/50/32/21/221503221.db2.gz 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COc1cc(Br)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c1O ZINC000058865573 564690946 /nfs/dbraw/zinc/69/09/46/564690946.db2.gz NOKKMNXLUYEDDH-UHFFFAOYSA-N 0 0 397.221 3.307 40 10 GGCBRN O=C1O[C@H](C2C(=O)c3ccccc3C2=O)C(Br)=C1Oc1ccccc1 ZINC000101462897 564915499 /nfs/dbraw/zinc/91/54/99/564915499.db2.gz ULFJRBIJYIYSAJ-QGZVFWFLSA-N 0 0 399.196 3.293 40 10 GGCBRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(I)cc1 ZINC000226855166 565921811 /nfs/dbraw/zinc/92/18/11/565921811.db2.gz MFJKNIJNTJYSAK-UHFFFAOYSA-N 0 0 389.214 3.106 40 10 GGCBRN COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(NC(C)=O)C3=O)nc12 ZINC000256055410 566122093 /nfs/dbraw/zinc/12/20/93/566122093.db2.gz GCRKSSVIHAUQQD-QPEQYQDCSA-N 0 0 393.877 3.149 40 10 GGCBRN Oc1c2ccccc2c(O)c2c1Sc1c(O)c3ccccc3c(O)c1S2 ZINC000100253559 570270252 /nfs/dbraw/zinc/27/02/52/570270252.db2.gz BQPAVUCZTHBGEU-LWYYNNOASA-N 0 0 380.446 3.099 40 10 GGCBRN Cc1ccc(NC(=O)C2=C(NN)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000102939530 570293516 /nfs/dbraw/zinc/29/35/16/570293516.db2.gz PJBMAGIDIGOEOY-ROUUACIJSA-N 0 0 378.432 3.448 40 10 GGCBRN Cn1c2ccccc2c([O-])c(C(=O)C[C@H]([NH3+])c2c(O)ccc3ccccc32)c1=O ZINC000104827627 570303824 /nfs/dbraw/zinc/30/38/24/570303824.db2.gz JGNATZADAZTCGQ-INIZCTEOSA-N 0 0 388.423 3.376 40 10 GGCBRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000026417128 570326693 /nfs/dbraw/zinc/32/66/93/570326693.db2.gz CPVUDCGYWXAYPC-NQIIRXRSSA-N 0 0 387.549 3.089 40 10 GGCBRN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000003077619 570327611 /nfs/dbraw/zinc/32/76/11/570327611.db2.gz AGCLKJKMSANXLA-ZROIWOOFSA-N 0 0 385.426 3.141 40 10 GGCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2cccc3ccccc32)o1 ZINC000005025763 570399442 /nfs/dbraw/zinc/39/94/42/570399442.db2.gz HDDWZTJOKDXGBR-UHFFFAOYSA-N 0 0 380.450 3.498 40 10 GGCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccn2)C1=O ZINC000004745316 570401725 /nfs/dbraw/zinc/40/17/25/570401725.db2.gz COODEGDYBJFVPN-QINSGFPZSA-N 0 0 399.497 3.320 40 10 GGCBRN Cc1c(C(=O)N(C)Cc2ccccc2O)sc2nc3n(c(=O)c12)CCCCC3 ZINC000053914606 570422856 /nfs/dbraw/zinc/42/28/56/570422856.db2.gz HFFDOOFASWEFAR-UHFFFAOYSA-N 0 0 397.500 3.471 40 10 GGCBRN CC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000006460326 570427455 /nfs/dbraw/zinc/42/74/55/570427455.db2.gz HGCUGOPZFNHHGU-LLVKDONJSA-N 0 0 399.830 3.187 40 10 GGCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 ZINC000005552972 570445959 /nfs/dbraw/zinc/44/59/59/570445959.db2.gz RNYZFSVZAGAGGJ-YBEGLDIGSA-N 0 0 382.466 3.354 40 10 GGCBRN Cc1cccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2)c1 ZINC000005755065 570455395 /nfs/dbraw/zinc/45/53/95/570455395.db2.gz VDOCOSSPXWNJIJ-UHFFFAOYSA-N 0 0 380.469 3.173 40 10 GGCBRN Cc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 ZINC000006510320 570462447 /nfs/dbraw/zinc/46/24/47/570462447.db2.gz JRZICZBSRSBOQN-UHFFFAOYSA-N 0 0 395.465 3.353 40 10 GGCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1 ZINC000223574715 570472356 /nfs/dbraw/zinc/47/23/56/570472356.db2.gz JAIZMBGLGDFQHX-LEWJYISDSA-N 0 0 392.528 3.454 40 10 GGCBRN CCOC(=O)N1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 ZINC000020192758 570514708 /nfs/dbraw/zinc/51/47/08/570514708.db2.gz NPJIYPKQNUZASJ-HXUWFJFHSA-N 0 0 392.459 3.199 40 10 GGCBRN COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000008138866 570522937 /nfs/dbraw/zinc/52/29/37/570522937.db2.gz ZHOKRWZLLFKJBB-UHFFFAOYSA-N 0 0 392.459 3.027 40 10 GGCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COC ZINC000224688800 570524907 /nfs/dbraw/zinc/52/49/07/570524907.db2.gz SQEYOSBPKUEJLR-UHFFFAOYSA-N 0 0 384.476 3.203 40 10 GGCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000149229286 570542473 /nfs/dbraw/zinc/54/24/73/570542473.db2.gz UHUHBBCDZBODHW-UHFFFAOYSA-N 0 0 387.436 3.145 40 10 GGCBRN CN(C)c1ccc(/C=c2\sc3nnc(-c4cccc(Cl)c4)n3c2=O)cc1 ZINC000009187926 570550885 /nfs/dbraw/zinc/55/08/85/570550885.db2.gz DQKZHQRMTHAZOB-YBEGLDIGSA-N 0 0 382.876 3.085 40 10 GGCBRN COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000225420388 570572394 /nfs/dbraw/zinc/57/23/94/570572394.db2.gz HNQQKRFTKRBJOQ-UHFFFAOYSA-N 0 0 399.516 3.105 40 10 GGCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000214662044 570575217 /nfs/dbraw/zinc/57/52/17/570575217.db2.gz MNSRNMBLJSUCTI-SFQUDFHCSA-N 0 0 381.457 3.428 40 10 GGCBRN COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(C)cc3)CC2)cc1 ZINC000225775806 570616316 /nfs/dbraw/zinc/61/63/16/570616316.db2.gz XQIAJSZMIAQEGW-UHFFFAOYSA-N 0 0 394.500 3.485 40 10 GGCBRN O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000005553609 570633177 /nfs/dbraw/zinc/63/31/77/570633177.db2.gz FXCFZXZADZKRCD-UYRXBGFRSA-N 0 0 392.415 3.288 40 10 GGCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000044846431 570635131 /nfs/dbraw/zinc/63/51/31/570635131.db2.gz BDALZLUUZOCNIO-UHFFFAOYSA-N 0 0 379.504 3.049 40 10 GGCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059109593 570653877 /nfs/dbraw/zinc/65/38/77/570653877.db2.gz UXDURWMCGLVZHI-UHFFFAOYSA-N 0 0 385.851 3.490 40 10 GGCBRN Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000005623072 570672755 /nfs/dbraw/zinc/67/27/55/570672755.db2.gz FJALIHCNTJXYHT-UHFFFAOYSA-N 0 0 389.427 3.014 40 10 GGCBRN CCOc1cc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)ccc1O ZINC000409010471 570693181 /nfs/dbraw/zinc/69/31/81/570693181.db2.gz FCMUSRLNUMWAHZ-YVLHZVERSA-N 0 0 394.427 3.059 40 10 GGCBRN COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)cc1 ZINC000057570173 570702672 /nfs/dbraw/zinc/70/26/72/570702672.db2.gz BAKPHQHIABKVIX-UHFFFAOYSA-N 0 0 380.444 3.132 40 10 GGCBRN CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CCCC2 ZINC000004994943 570897184 /nfs/dbraw/zinc/89/71/84/570897184.db2.gz SBTDDZZYALUTIF-UHFFFAOYSA-N 0 0 378.380 3.191 40 10 GGCBRN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCc1ccc(F)cc1 ZINC000017080800 570919002 /nfs/dbraw/zinc/91/90/02/570919002.db2.gz GOTNWJFXXZSNJR-QNGOZBTKSA-N 0 0 395.434 3.198 40 10 GGCBRN CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S ZINC000001277141 570987399 /nfs/dbraw/zinc/98/73/99/570987399.db2.gz MCMQJMNDHMXPOV-DHDCSXOGSA-N 0 0 395.502 3.247 40 10 GGCBRN C[C@@H](NC(=O)Cc1cccc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000019716239 571038406 /nfs/dbraw/zinc/03/84/06/571038406.db2.gz RCCCVGTYQNVBTO-QGZVFWFLSA-N 0 0 375.472 3.491 40 10 GGCBRN Cc1cc(C=C2C(=O)NC(=S)N(C3CC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002369107 1398308654 /nfs/dbraw/zinc/30/86/54/1398308654.db2.gz SVRUXEPDJZHGFT-LICLKQGHSA-N 0 0 383.448 3.022 40 10 GGCBRN O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 ZINC000004158863 1398381316 /nfs/dbraw/zinc/38/13/16/1398381316.db2.gz DLZAPBXZWLKBDR-SXGWCWSVSA-N 0 0 398.465 3.255 40 10 GGCBRN CN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000005904311 1398491161 /nfs/dbraw/zinc/49/11/61/1398491161.db2.gz BEXUSPFREZDVKI-SDNWHVSQSA-N 0 0 395.465 3.318 40 10 GGCBRN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCCC1=CCCCC1 ZINC000006562358 1398560095 /nfs/dbraw/zinc/56/00/95/1398560095.db2.gz SMLIZQAJUJDKSP-SDXDJHTJSA-N 0 0 387.549 3.484 40 10 GGCBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000007504939 1398692222 /nfs/dbraw/zinc/69/22/22/1398692222.db2.gz ICAPRCSZJGQTCU-OAQYLSRUSA-N 0 0 384.476 3.210 40 10 GGCBRN COc1ccc(N2CCN(c3ccc(-c4nc(C)no4)cc3[N+](=O)[O-])CC2)cc1 ZINC000020897950 1399356186 /nfs/dbraw/zinc/35/61/86/1399356186.db2.gz RINNTGXFPVTWGK-UHFFFAOYSA-N 0 0 395.419 3.288 40 10 GGCBRN Cc1cccc(C)c1NC(=S)NN=c1nc(NC(C)C)nc(NC(C)C)[nH]1 ZINC000027546101 1400053511 /nfs/dbraw/zinc/05/35/11/1400053511.db2.gz KTQLDRRCQGALNH-UHFFFAOYSA-N 0 0 388.545 3.443 40 10 GGCBRN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCc1ccc(F)cc1 ZINC000102548551 1410647713 /nfs/dbraw/zinc/64/77/13/1410647713.db2.gz XBXYGHVOPPWYEM-LGMDPLHJSA-N 0 0 387.480 3.344 40 10 GGCBRN Cc1cc(C(=O)NCc2cccc(OCC(N)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000174510380 1427192529 /nfs/dbraw/zinc/19/25/29/1427192529.db2.gz YYDLIBVFBWVYNC-UHFFFAOYSA-N 0 0 391.471 3.197 40 10 GGCBRN O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 ZINC000199426103 1433352704 /nfs/dbraw/zinc/35/27/04/1433352704.db2.gz ATAWWAOAFZZEIM-HXUWFJFHSA-N 0 0 380.488 3.474 40 10 GGCBRN CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000254908094 1433872280 /nfs/dbraw/zinc/87/22/80/1433872280.db2.gz NNPXPEWIZOSBHR-UHFFFAOYSA-N 0 0 394.475 3.351 40 10 GGCBRN