smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc(Cl)c1O ZINC000006024869 817641362 /nfs/dbraw/zinc/64/13/62/817641362.db2.gz WDBGNJQGHBICHT-UHFFFAOYSA-N 0 1 376.865 4.288 40 0 GIABMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000008022432 817984700 /nfs/dbraw/zinc/98/47/00/817984700.db2.gz KHFWBQKBOICCGC-HXUWFJFHSA-N 0 1 397.446 4.219 40 0 GIABMN O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1cccc(F)c1F ZINC000019712797 818602668 /nfs/dbraw/zinc/60/26/68/818602668.db2.gz NGULOROMGQWUJA-KPLVRAHFSA-N 0 1 388.433 4.131 40 0 GIABMN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(Cl)c3O)C2=O)c1 ZINC000409241269 231186635 /nfs/dbraw/zinc/18/66/35/231186635.db2.gz SPLWAWKQEGSONB-VIZOYTHASA-N 0 1 377.227 4.100 40 0 GIABMN O=C(Cc1ccc2nc[nH]c2c1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000035316940 204168895 /nfs/dbraw/zinc/16/88/95/204168895.db2.gz UFHVZFCKTYVQEW-UHFFFAOYSA-N 0 1 375.403 4.462 40 0 GIABMN CCOc1ccccc1-c1cc(C(=O)N2CCn3c(C)ccc3[C@H]2CC)n[nH]1 ZINC000012147502 204376591 /nfs/dbraw/zinc/37/65/91/204376591.db2.gz NVZRMBZFUSMJFE-LJQANCHMSA-N 0 1 378.476 4.192 40 0 GIABMN CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2OCC)[nH]n1 ZINC000012147482 204376987 /nfs/dbraw/zinc/37/69/87/204376987.db2.gz WHPOWCOFCUPORF-HXUWFJFHSA-N 0 1 378.476 4.274 40 0 GIABMN O=C(CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348694 205330336 /nfs/dbraw/zinc/33/03/36/205330336.db2.gz SUDQGMQOVQIYCZ-IBGZPJMESA-N 0 1 381.495 4.080 40 0 GIABMN O=C(CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348693 205330413 /nfs/dbraw/zinc/33/04/13/205330413.db2.gz SUDQGMQOVQIYCZ-LJQANCHMSA-N 0 1 381.495 4.080 40 0 GIABMN CCN(CC)C(=O)CN1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353808 205333228 /nfs/dbraw/zinc/33/32/28/205333228.db2.gz YMVQLPQBKFDUGL-QFIPXVFZSA-N 0 1 379.548 4.029 40 0 GIABMN O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000072378309 205339096 /nfs/dbraw/zinc/33/90/96/205339096.db2.gz TZKXFRAKUDECFT-HXUWFJFHSA-N 0 1 379.435 4.148 40 0 GIABMN O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000223625271 206002662 /nfs/dbraw/zinc/00/26/62/206002662.db2.gz KOTXPPKEPULCFO-QGZVFWFLSA-N 0 1 396.491 4.195 40 0 GIABMN COc1ccc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc2c1 ZINC000225525863 206055262 /nfs/dbraw/zinc/05/52/62/206055262.db2.gz GNTABLIVLXYSBI-UHFFFAOYSA-N 0 1 377.849 4.311 40 0 GIABMN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000225791255 206075336 /nfs/dbraw/zinc/07/53/36/206075336.db2.gz YASOCDSXBZRJQZ-INIZCTEOSA-N 0 1 386.923 4.438 40 0 GIABMN CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]2N1Cc1ccccc1 ZINC000226086469 206088997 /nfs/dbraw/zinc/08/89/97/206088997.db2.gz PCLDENUBNWZUOM-KAMZKSLDSA-N 0 1 391.511 4.346 40 0 GIABMN Cc1cc(=O)cc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)[nH]1 ZINC000257287197 206173106 /nfs/dbraw/zinc/17/31/06/206173106.db2.gz POXLSWPTKVSTOJ-FQEVSTJZSA-N 0 1 378.428 4.391 40 0 GIABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)o1 ZINC000257300642 206174528 /nfs/dbraw/zinc/17/45/28/206174528.db2.gz RVECBEIJPMIZMT-GOSISDBHSA-N 0 1 376.456 4.495 40 0 GIABMN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@@H+](CCCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257300487 206174863 /nfs/dbraw/zinc/17/48/63/206174863.db2.gz RUMVUWFHZFBUJQ-RKURPORMSA-N 0 1 393.911 4.144 40 0 GIABMN C[C@]1(c2cc[nH]n2)CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257227081 206163280 /nfs/dbraw/zinc/16/32/80/206163280.db2.gz FNNQDDZHFVQIIC-QHCPKHFHSA-N 0 1 375.472 4.329 40 0 GIABMN Clc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 ZINC000306140756 206204511 /nfs/dbraw/zinc/20/45/11/206204511.db2.gz VDGBNSXYVJYTLP-HSZRJFAPSA-N 0 1 390.918 4.294 40 0 GIABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000408527443 528700483 /nfs/dbraw/zinc/70/04/83/528700483.db2.gz NVDPRMQTRRFVAR-UHFFFAOYSA-N 0 1 388.880 4.255 40 0 GIABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000408526583 528701041 /nfs/dbraw/zinc/70/10/41/528701041.db2.gz FCLZFWHEQLUFKM-UHFFFAOYSA-N 0 1 382.489 4.218 40 0 GIABMN Fc1cc(CN2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)ccc1Cl ZINC000096215815 570219597 /nfs/dbraw/zinc/21/95/97/570219597.db2.gz CIBIABHPONNAQE-IBGZPJMESA-N 0 1 379.932 4.424 40 0 GIABMN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000101127553 570318786 /nfs/dbraw/zinc/31/87/86/570318786.db2.gz QOYHOFGUUCNIKW-VJBWXMMDSA-N 0 1 398.462 4.355 40 0 GIABMN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000035316545 570422521 /nfs/dbraw/zinc/42/25/21/570422521.db2.gz KLMMVODPVDZGTN-NRFANRHFSA-N 0 1 381.495 4.194 40 0 GIABMN O=C(NCCSc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039766185 570446181 /nfs/dbraw/zinc/44/61/81/570446181.db2.gz DQWOXEJBQLGPRR-UHFFFAOYSA-N 0 1 388.964 4.461 40 0 GIABMN CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039768694 570446635 /nfs/dbraw/zinc/44/66/35/570446635.db2.gz SQUJUDCJCYFDDX-UHFFFAOYSA-N 0 1 385.895 4.149 40 0 GIABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000039750590 570447474 /nfs/dbraw/zinc/44/74/74/570447474.db2.gz DAJKUCUXMOVJCL-UHFFFAOYSA-N 0 1 386.923 4.056 40 0 GIABMN CCOc1ccc(NC(=O)N[C@H](C)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000005001888 570652200 /nfs/dbraw/zinc/65/22/00/570652200.db2.gz MOJSNADYLOREJK-GFCCVEGCSA-N 0 1 385.855 4.407 40 0 GIABMN CCOc1ccc(NC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000005001888 570652203 /nfs/dbraw/zinc/65/22/03/570652203.db2.gz MOJSNADYLOREJK-GFCCVEGCSA-N 0 1 385.855 4.407 40 0 GIABMN Cc1ccc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c1 ZINC000006681701 570671762 /nfs/dbraw/zinc/67/17/62/570671762.db2.gz WEWZSHSGGVBWET-UHFFFAOYSA-N 0 1 386.498 4.418 40 0 GIABMN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cs1 ZINC000006681754 570671828 /nfs/dbraw/zinc/67/18/28/570671828.db2.gz ZATNSYRPSRCIFH-UHFFFAOYSA-N 0 1 390.461 4.249 40 0 GIABMN CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000006368594 570741637 /nfs/dbraw/zinc/74/16/37/570741637.db2.gz YUPXAZAIMLVOQZ-UHFFFAOYSA-N 0 1 394.924 4.288 40 0 GIABMN CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000006368591 570741698 /nfs/dbraw/zinc/74/16/98/570741698.db2.gz TYFUALMHZBXUDC-UHFFFAOYSA-N 0 1 394.924 4.369 40 0 GIABMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000010112300 570782301 /nfs/dbraw/zinc/78/23/01/570782301.db2.gz GEVJIPONSORDDB-UHFFFAOYSA-N 0 1 388.272 4.279 40 0 GIABMN CCc1cccc(CC)c1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000216141867 570875611 /nfs/dbraw/zinc/87/56/11/570875611.db2.gz ULMADJXELPSDAL-UHFFFAOYSA-N 0 1 398.322 4.383 40 0 GIABMN CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC000585109500 570937620 /nfs/dbraw/zinc/93/76/20/570937620.db2.gz UQCQHWFCWFIMFX-IRFCIJBXSA-N 0 1 384.470 4.397 40 0 GIABMN COc1c(C)cccc1CN[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019236020 570966163 /nfs/dbraw/zinc/96/61/63/570966163.db2.gz WUXMCOYAKZZKNT-FQEVSTJZSA-N 0 1 397.906 4.122 40 0 GIABMN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C[C@@H]3CCOC3)cc2n1 ZINC000019452358 570985630 /nfs/dbraw/zinc/98/56/30/570985630.db2.gz ZZYHCDATKVHXQA-XJKSGUPXSA-N 0 1 382.430 4.045 40 0 GIABMN CC(=O)N1CCc2nc([C@H]3CCCCN3CC[C@H](C)c3ccccc3)ncc2C1 ZINC000019455672 570987329 /nfs/dbraw/zinc/98/73/29/570987329.db2.gz NWYWNAWJOVKKDC-FDDCHVKYSA-N 0 1 392.547 4.102 40 0 GIABMN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCC2)n1 ZINC000328960419 571047278 /nfs/dbraw/zinc/04/72/78/571047278.db2.gz AXRKKTMLWXMAQE-UHFFFAOYSA-N 0 1 387.325 4.465 40 0 GIABMN O=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000016525438 571049398 /nfs/dbraw/zinc/04/93/98/571049398.db2.gz PIVYFQZLYMOAQH-APSNUPSMSA-N 0 1 386.238 4.177 40 0 GIABMN O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053084 571097594 /nfs/dbraw/zinc/09/75/94/571097594.db2.gz IZFAJEKGRHDFRY-IBGZPJMESA-N 0 1 394.515 4.097 40 0 GIABMN C[N@@H+]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2C1 ZINC000008091806 817999026 /nfs/dbraw/zinc/99/90/26/817999026.db2.gz JURSDXMUBMKLCS-FOKLQQMPSA-N 0 1 391.452 4.316 40 0 GIABMN C[N@H+]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2C1 ZINC000008091806 817999032 /nfs/dbraw/zinc/99/90/32/817999032.db2.gz JURSDXMUBMKLCS-FOKLQQMPSA-N 0 1 391.452 4.316 40 0 GIABMN CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000033691758 821059091 /nfs/dbraw/zinc/05/90/91/821059091.db2.gz ZPFACUMLWPQGES-UHFFFAOYSA-N 0 1 394.924 4.240 40 0 GIABMN COc1ccc2nc(-c3cccs3)cc([C@H](O)CN3CCSCC3)c2c1 ZINC000005550296 204138823 /nfs/dbraw/zinc/13/88/23/204138823.db2.gz OKNKEAGLYVCUDV-LJQANCHMSA-N 0 1 386.542 4.054 40 0 GIABMN COC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008306810 204271194 /nfs/dbraw/zinc/27/11/94/204271194.db2.gz FICRBMKEZIUIIT-FQEVSTJZSA-N 0 1 396.512 4.185 40 0 GIABMN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012292327 204388877 /nfs/dbraw/zinc/38/88/77/204388877.db2.gz GGAIGNRJBLANSS-GOSISDBHSA-N 0 1 384.278 4.150 40 0 GIABMN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000012292347 204389423 /nfs/dbraw/zinc/38/94/23/204389423.db2.gz BIECZTODQHHJKI-LJQANCHMSA-N 0 1 380.315 4.319 40 0 GIABMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)[nH]n2)cc1 ZINC000019718358 204677539 /nfs/dbraw/zinc/67/75/39/204677539.db2.gz MITHPFVNDJUYTJ-UHFFFAOYSA-N 0 1 388.471 4.182 40 0 GIABMN O=C(CN1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072348773 205331135 /nfs/dbraw/zinc/33/11/35/205331135.db2.gz NMMMRMMXBCZEKB-SFHVURJKSA-N 0 1 383.923 4.204 40 0 GIABMN CCc1nnc([N-]c2cncc([C@@H]3CCC[N@H+]3Cc3cccc(C)c3)n2)s1 ZINC000072376317 205337063 /nfs/dbraw/zinc/33/70/63/205337063.db2.gz QJBIRERNUMAXPL-KRWDZBQOSA-N 0 1 380.521 4.280 40 0 GIABMN Cc1nnc([N-]c2cccc(C3CC[NH+](CCc4ccccc4)CC3)n2)s1 ZINC000072376130 205337787 /nfs/dbraw/zinc/33/77/87/205337787.db2.gz UFVZCDHTWFUUSV-UHFFFAOYSA-N 0 1 379.533 4.407 40 0 GIABMN CCn1ncc(CN2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)c1C ZINC000072375399 205338289 /nfs/dbraw/zinc/33/82/89/205338289.db2.gz OFXUILIYIULMSY-HXUWFJFHSA-N 0 1 376.508 4.391 40 0 GIABMN COc1cccc([C@@H]2CCCN2C(=O)CC2CCN(Cc3ccccn3)CC2)c1 ZINC000072392083 205341899 /nfs/dbraw/zinc/34/18/99/205341899.db2.gz NOPVBAXHCJWNRK-QHCPKHFHSA-N 0 1 393.531 4.056 40 0 GIABMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000005522537 205768753 /nfs/dbraw/zinc/76/87/53/205768753.db2.gz VGTXJLWSLJHJIN-UHFFFAOYSA-N 0 1 395.271 4.215 40 0 GIABMN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000224591777 206023883 /nfs/dbraw/zinc/02/38/83/206023883.db2.gz QGNWFDJZCDUMPL-UHFFFAOYSA-N 0 1 382.523 4.479 40 0 GIABMN Cc1noc([C@@]2(C)CCC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257202092 206157201 /nfs/dbraw/zinc/15/72/01/206157201.db2.gz AKKBJMCFYPXUBF-QHCPKHFHSA-N 0 1 391.471 4.297 40 0 GIABMN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n[nH]1 ZINC000257219045 206161323 /nfs/dbraw/zinc/16/13/23/206161323.db2.gz DFKWBAZTXBBGHU-GOSISDBHSA-N 0 1 392.503 4.351 40 0 GIABMN CCCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n[nH]1 ZINC000257230452 206163139 /nfs/dbraw/zinc/16/31/39/206163139.db2.gz GCKXHKIAXNKFCF-FQEVSTJZSA-N 0 1 396.466 4.448 40 0 GIABMN O=C(CN1CCCCC1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257227452 206163242 /nfs/dbraw/zinc/16/32/42/206163242.db2.gz FPJOXTFKGUPAQZ-IBGZPJMESA-N 0 1 387.911 4.068 40 0 GIABMN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])[C@H]3C[C@H]21 ZINC000257274001 206170793 /nfs/dbraw/zinc/17/07/93/206170793.db2.gz NJDHMRQMPLFMKK-KIZRIRGWSA-N 0 1 393.483 4.277 40 0 GIABMN Cc1cncnc1[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257312734 206178508 /nfs/dbraw/zinc/17/85/08/206178508.db2.gz UPHXDJFVQMGWAI-LJQANCHMSA-N 0 1 377.444 4.470 40 0 GIABMN c1nc2c(n1CC1CC1)C1(CCN(Cc3cccnc3)CC1)Oc1ccccc1-2 ZINC000306145105 206207242 /nfs/dbraw/zinc/20/72/42/206207242.db2.gz ZYEPEZJJYPMVDK-UHFFFAOYSA-N 0 1 386.499 4.239 40 0 GIABMN CC(C)Cn1cnc2c1C1(CCN(Cc3ccccn3)CC1)Oc1ccccc1-2 ZINC000306144529 206207715 /nfs/dbraw/zinc/20/77/15/206207715.db2.gz ZHWNWOMZWGWVEI-UHFFFAOYSA-N 0 1 388.515 4.485 40 0 GIABMN Cc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124856 206197676 /nfs/dbraw/zinc/19/76/76/206197676.db2.gz CAVLLZBYLZYSOD-RTBURBONSA-N 0 1 383.542 4.001 40 0 GIABMN c1nc2c(n1CC1CC1)C1(CCN(Cc3ccncc3)CC1)Oc1ccccc1-2 ZINC000306137000 206202587 /nfs/dbraw/zinc/20/25/87/206202587.db2.gz QISFMCXHPMLQPM-UHFFFAOYSA-N 0 1 386.499 4.239 40 0 GIABMN CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000409411467 528065270 /nfs/dbraw/zinc/06/52/70/528065270.db2.gz XGQDLGJJFBZBML-AWEZNQCLSA-N 0 1 394.924 4.368 40 0 GIABMN Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289747 560031748 /nfs/dbraw/zinc/03/17/48/560031748.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 0 1 377.488 4.027 40 0 biogenic,in-vitro GIABMN Cc1ccc2nc(C[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289747 560031749 /nfs/dbraw/zinc/03/17/49/560031749.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 0 1 377.488 4.027 40 0 biogenic,in-vitro GIABMN Cc1ccc2nc(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289747 560031750 /nfs/dbraw/zinc/03/17/50/560031750.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 0 1 377.488 4.027 40 0 biogenic,in-vitro GIABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288686 560034075 /nfs/dbraw/zinc/03/40/75/560034075.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 0 1 399.535 4.107 40 0 biogenic,in-vitro GIABMN COc1ccc2nc(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288686 560034077 /nfs/dbraw/zinc/03/40/77/560034077.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 0 1 399.535 4.107 40 0 biogenic,in-vitro GIABMN COc1ccc2nc(C[C@H]3C[N@@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288686 560034079 /nfs/dbraw/zinc/03/40/79/560034079.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 0 1 399.535 4.107 40 0 biogenic,in-vitro GIABMN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](C)CC)n1 ZINC000328970322 570210108 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CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC000044912138 570642820 /nfs/dbraw/zinc/64/28/20/570642820.db2.gz YONCWSGEKZJIIY-UHFFFAOYSA-N 0 1 398.478 4.162 40 0 GIABMN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102732221 570720718 /nfs/dbraw/zinc/72/07/18/570720718.db2.gz AWFRYIXNFIETFH-XPWALMASSA-N 0 1 398.462 4.355 40 0 GIABMN CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000005986053 570737096 /nfs/dbraw/zinc/73/70/96/570737096.db2.gz PPOAUMLFNPOQIH-VQHVLOKHSA-N 0 1 390.314 4.397 40 0 GIABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000007055510 570756079 /nfs/dbraw/zinc/75/60/79/570756079.db2.gz YAMSTQWCDYYJFY-UHFFFAOYSA-N 0 1 384.295 4.382 40 0 GIABMN CCOC(=O)c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 ZINC000007520121 570759865 /nfs/dbraw/zinc/75/98/65/570759865.db2.gz FDTHVJQJKKAWEZ-UHFFFAOYSA-N 0 1 379.412 4.142 40 0 GIABMN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000009062701 570773704 /nfs/dbraw/zinc/77/37/04/570773704.db2.gz 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