smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1O)C2 ZINC000019496423 539658535 /nfs/dbraw/zinc/65/85/35/539658535.db2.gz ITKMNHJKFJPIHE-CQSZACIVSA-N 0 1 354.454 2.413 40 10 FECBMN CC1=NC(=O)N[C@@H](c2ccc(O)c(O)c2)C1C(=O)OCc1ccccc1 ZINC000003844199 204111309 /nfs/dbraw/zinc/11/13/09/204111309.db2.gz JEHXXIAHQCQTAS-KRWDZBQOSA-N 0 1 354.362 2.469 40 10 FECBMN CN1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000216925792 523925521 /nfs/dbraw/zinc/92/55/21/523925521.db2.gz SPXFIVRNBMOFBB-UHFFFAOYSA-N 0 1 354.410 2.277 40 10 FECBMN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2O)C3)C1 ZINC000019496605 539658243 /nfs/dbraw/zinc/65/82/43/539658243.db2.gz XAFRBQGPAXGPDU-AWEZNQCLSA-N 0 1 354.454 2.270 40 10 FECBMN CC/C(C)=C1/C(=O)NN(c2ccc(I)cc2)C1=O ZINC000013562091 206305115 /nfs/dbraw/zinc/30/51/15/206305115.db2.gz ITQYGYQVGRSENS-FLIBITNWSA-N 0 1 356.163 2.396 40 10 FECBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OC ZINC000004992979 263337601 /nfs/dbraw/zinc/33/76/01/263337601.db2.gz PDTQKCUWJWIUAG-GXDHUFHOSA-N 0 1 358.394 2.498 40 10 FECBMN COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccccc1 ZINC000408892741 263504293 /nfs/dbraw/zinc/50/42/93/263504293.db2.gz CCXZDWIISCVWTR-UHFFFAOYSA-N 0 1 352.346 2.024 40 10 FECBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000408530576 558685681 /nfs/dbraw/zinc/68/56/81/558685681.db2.gz JGLFMAVKFBSPTA-FOWTUZBSSA-N 0 1 353.353 2.443 40 10 FECBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 ZINC000408917577 558689926 /nfs/dbraw/zinc/68/99/26/558689926.db2.gz XQDSMYBPGUNOQF-GHXNOFRVSA-N 0 1 358.350 2.068 40 10 FECBMN COc1ccc(NC(=O)CC(C)=C2C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000016952203 539637370 /nfs/dbraw/zinc/63/73/70/539637370.db2.gz DHPBLXNMPOPRQI-QGOAFFKASA-N 0 1 365.389 2.418 40 10 FECBMN C#CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000034835251 539977651 /nfs/dbraw/zinc/97/76/51/539977651.db2.gz LBVMFSLNZWTLPX-VBKFSLOCSA-N 0 1 363.329 2.068 40 10 FECBMN CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O ZINC000107784042 543278194 /nfs/dbraw/zinc/27/81/94/543278194.db2.gz OJEFGWAOLWDZEL-UHFFFAOYSA-N 0 1 367.199 2.377 40 10 FECBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1O ZINC000409372876 570754036 /nfs/dbraw/zinc/75/40/36/570754036.db2.gz NNAKSLCLPNMNJJ-MDWZMJQESA-N 0 1 356.334 2.046 40 10 FECBMN COc1ccc(O)c(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1 ZINC000019551627 539660001 /nfs/dbraw/zinc/66/00/01/539660001.db2.gz PCNBGKNYFNVCJO-UHFFFAOYSA-N 0 1 364.405 2.104 40 10 FECBMN COc1ccc(O)c(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1 ZINC000019551627 539660006 /nfs/dbraw/zinc/66/00/06/539660006.db2.gz PCNBGKNYFNVCJO-UHFFFAOYSA-N 0 1 364.405 2.104 40 10 FECBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OC ZINC000004999326 263337716 /nfs/dbraw/zinc/33/77/16/263337716.db2.gz GKOADWVCOZLKFN-MDWZMJQESA-N 0 1 374.393 2.117 40 10 FECBMN Cc1cc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1[N+](=O)[O-] ZINC000408547069 558686896 /nfs/dbraw/zinc/68/68/96/558686896.db2.gz LLZVLZPOKIAFQL-JYRVWZFOSA-N 0 1 370.321 2.071 40 10 FECBMN COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c1 ZINC000408999837 570710550 /nfs/dbraw/zinc/71/05/50/570710550.db2.gz WDOPSPJIJOFMEZ-UHFFFAOYSA-N 0 1 374.736 2.136 40 10 FECBMN COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000035128895 539979303 /nfs/dbraw/zinc/97/93/03/539979303.db2.gz TWSMYJYUXHVTOL-KAECEXQPSA-N 0 1 366.373 2.088 40 10 FECBMN Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1ccccc1N ZINC000100643963 543025441 /nfs/dbraw/zinc/02/54/41/543025441.db2.gz LFRSAUQVMRADKD-VXPUYCOJSA-N 0 1 367.325 2.353 40 10 FECBMN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000049740709 540393009 /nfs/dbraw/zinc/39/30/09/540393009.db2.gz QUPLBUMWNQILGL-UHFFFAOYSA-N 0 1 373.522 2.366 40 10 FECBMN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000004992983 206186305 /nfs/dbraw/zinc/18/63/05/206186305.db2.gz LWAANWQXYIOOER-MDWZMJQESA-N 0 1 374.393 2.117 40 10 FECBMN CCOc1ccccc1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000110510834 543359742 /nfs/dbraw/zinc/35/97/42/543359742.db2.gz HEFFYGQTNSFFMA-RAXLEYEMSA-N 0 1 355.350 2.253 40 10 FECBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(F)cc2)c1 ZINC000408806955 558689766 /nfs/dbraw/zinc/68/97/66/558689766.db2.gz NSHDNZVZXXQACC-UHFFFAOYSA-N 0 1 370.336 2.163 40 10 FECBMN COc1cccnc1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000225777589 132286461 /nfs/dbraw/zinc/28/64/61/132286461.db2.gz FDHXWSCMFWPGPE-UHFFFAOYSA-N 0 1 371.510 2.329 40 10 FECBMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000002302115 132383254 /nfs/dbraw/zinc/38/32/54/132383254.db2.gz DBHKABLYSCQSMV-PKNBQFBNSA-N 0 1 359.382 2.316 40 10 FECBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2cccc(F)c2)c1 ZINC000408876700 570694777 /nfs/dbraw/zinc/69/47/77/570694777.db2.gz QBPIEVLEBOXPHL-UHFFFAOYSA-N 0 1 354.337 2.175 40 10 FECBMN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2O)CC3)C1 ZINC000012185117 539548275 /nfs/dbraw/zinc/54/82/75/539548275.db2.gz MXESMYOTVAZJQZ-CQSZACIVSA-N 0 1 354.454 2.270 40 10 FECBMN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2O)CC3)C1 ZINC000012185117 539548280 /nfs/dbraw/zinc/54/82/80/539548280.db2.gz MXESMYOTVAZJQZ-CQSZACIVSA-N 0 1 354.454 2.270 40 10 FECBMN Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cccc1[N+](=O)[O-] ZINC000105484128 543174500 /nfs/dbraw/zinc/17/45/00/543174500.db2.gz ZXAQSIJLTDELAM-WQLSENKSSA-N 0 1 370.321 2.071 40 10 FECBMN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)NC(=O)N(C)C1=O ZINC000408757387 558689323 /nfs/dbraw/zinc/68/93/23/558689323.db2.gz MUWOPJWGHNDWLH-OQLLNIDSSA-N 0 1 352.394 2.198 40 10 FECBMN CN(C)c1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000019584979 539661745 /nfs/dbraw/zinc/66/17/45/539661745.db2.gz JFWJGIHAMXYOLU-UHFFFAOYSA-N 0 1 361.449 2.456 40 10 FECBMN CN(C)c1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000019584979 539661752 /nfs/dbraw/zinc/66/17/52/539661752.db2.gz JFWJGIHAMXYOLU-UHFFFAOYSA-N 0 1 361.449 2.456 40 10 FECBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408965184 570704711 /nfs/dbraw/zinc/70/47/11/570704711.db2.gz HDXLAUYWNPXGHO-UHFFFAOYSA-N 0 1 360.373 2.392 40 10 FECBMN COC(=O)[C@@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000035339590 539980742 /nfs/dbraw/zinc/98/07/42/539980742.db2.gz UVAOWRFLKDSWLF-KAECEXQPSA-N 0 1 366.373 2.088 40 10 FECBMN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc([N+](=O)[O-])c1O ZINC000058865747 263415763 /nfs/dbraw/zinc/41/57/63/263415763.db2.gz VJOJCZPHWYRNLH-UHFFFAOYSA-N 0 1 363.322 2.453 40 10 FECBMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1cccc(Cl)c1 ZINC000408766959 558689749 /nfs/dbraw/zinc/68/97/49/558689749.db2.gz XUMZWPPODLFSAA-UHFFFAOYSA-N 0 1 370.748 2.309 40 10 FECBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cccc(F)c1 ZINC000408869263 570694113 /nfs/dbraw/zinc/69/41/13/570694113.db2.gz RUUCEJZSERURQA-UHFFFAOYSA-N 0 1 354.337 2.175 40 10 FECBMN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000004999335 539398511 /nfs/dbraw/zinc/39/85/11/539398511.db2.gz MUIQLMHKYMTGGE-NTEUORMPSA-N 0 1 358.394 2.417 40 10 FECBMN C#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551736 539974716 /nfs/dbraw/zinc/97/47/16/539974716.db2.gz VVWHIFHIKZUOTC-QINSGFPZSA-N 0 1 363.329 2.068 40 10 FECBMN CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551730 539974806 /nfs/dbraw/zinc/97/48/06/539974806.db2.gz WZDQJBULISYBTD-KAMYIIQDSA-N 0 1 353.334 2.455 40 10 FECBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000408547031 558686728 /nfs/dbraw/zinc/68/67/28/558686728.db2.gz GBULTCTVDATHFZ-GDNBJRDFSA-N 0 1 362.345 2.402 40 10 FECBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2F)c1 ZINC000408874249 570694130 /nfs/dbraw/zinc/69/41/30/570694130.db2.gz AOJHKSSGQLZPGW-UHFFFAOYSA-N 0 1 354.337 2.175 40 10 FECBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OC ZINC000409373545 570754044 /nfs/dbraw/zinc/75/40/44/570754044.db2.gz UQNPFUJNAAVPIF-NTEUORMPSA-N 0 1 370.361 2.349 40 10 FECBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/N1CCCc2ccccc21 ZINC000032110854 539930039 /nfs/dbraw/zinc/93/00/39/539930039.db2.gz WHRXWBIVBWSNJE-NTCAYCPXSA-N 0 1 351.362 2.195 40 10 FECBMN COc1cccc(OC)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000049740633 540392845 /nfs/dbraw/zinc/39/28/45/540392845.db2.gz VNNQBJLEAWIVMF-UHFFFAOYSA-N 0 1 369.465 2.386 40 10 FECBMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000005248138 207090632 /nfs/dbraw/zinc/09/06/32/207090632.db2.gz NEJALORAPUURRG-UVTDQMKNSA-N 0 1 352.350 2.122 40 10 FECBMN COCCn1c(C)cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C ZINC000013425560 539586884 /nfs/dbraw/zinc/58/68/84/539586884.db2.gz NFBGVSSPSPZRLC-YBEGLDIGSA-N 0 1 371.393 2.006 40 10 FECBMN COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000035128893 539978986 /nfs/dbraw/zinc/97/89/86/539978986.db2.gz TWSMYJYUXHVTOL-IGWPVBGESA-N 0 1 366.373 2.088 40 10 FECBMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000059109620 540863461 /nfs/dbraw/zinc/86/34/61/540863461.db2.gz QNUFLHVSXPBJCC-UKTHLTGXSA-N 0 1 355.306 2.337 40 10 FECBMN CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)C(=O)N(C)C1=O ZINC000006320523 207137180 /nfs/dbraw/zinc/13/71/80/207137180.db2.gz RPFYRHHQNDFZCZ-UHFFFAOYSA-N 0 1 373.590 2.242 40 10 FECBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(C)c1 ZINC000113834796 263452081 /nfs/dbraw/zinc/45/20/81/263452081.db2.gz JUERKIKSDRJQLG-UHFFFAOYSA-N 0 1 366.373 2.332 40 10 FECBMN COc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c(OC)c1 ZINC000059594927 540865325 /nfs/dbraw/zinc/86/53/25/540865325.db2.gz UJWMGSAINWNYFH-XYOKQWHBSA-N 0 1 358.375 2.128 40 10 FECBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c(C)c1 ZINC000208499121 548665527 /nfs/dbraw/zinc/66/55/27/548665527.db2.gz SQNLFRWLXREZIP-DHDCSXOGSA-N 0 1 353.378 2.369 40 10 FECBMN CN(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000059475164 540864802 /nfs/dbraw/zinc/86/48/02/540864802.db2.gz NEJALORAPUURRG-GXDHUFHOSA-N 0 1 352.350 2.122 40 10 FECBMN O=C1NC(=O)C(=Cc2ccc(-c3ccccc3Br)o2)C(=O)N1 ZINC000002287303 210387957 /nfs/dbraw/zinc/38/79/57/210387957.db2.gz OPGCYXULLYGEGF-UHFFFAOYSA-N 0 1 361.151 2.459 40 10 FECBMN CN(C)c1ccc(CN2CC[C@@]3(CC(C(=O)NC4CCC4)=NO3)C2)cc1 ZINC000096074511 222012596 /nfs/dbraw/zinc/01/25/96/222012596.db2.gz WIRSDZLVOWBXCG-HXUWFJFHSA-N 0 1 356.470 2.142 40 10 FECBMN COC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 ZINC000409192428 570738012 /nfs/dbraw/zinc/73/80/12/570738012.db2.gz CIYQGWCSLIZCKS-UHFFFAOYSA-N 0 1 374.736 2.136 40 10 FECBMN CC1=NC(=O)N[C@H](c2ccc(O)c(O)c2)C1C(=O)OCc1ccccc1 ZINC000003844200 539373580 /nfs/dbraw/zinc/37/35/80/539373580.db2.gz JEHXXIAHQCQTAS-QGZVFWFLSA-N 0 1 354.362 2.469 40 10 FECBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000106600204 543241078 /nfs/dbraw/zinc/24/10/78/543241078.db2.gz CNBCELIQPAUPSG-XFFZJAGNSA-N 0 1 361.741 2.213 40 10 FECBMN CC1CCN(c2nc3c(c(=O)[n-]2)C[N@H+](Cc2ccccc2O)CC3)CC1 ZINC000012145352 539546954 /nfs/dbraw/zinc/54/69/54/539546954.db2.gz DTHLGLCHAFGSBV-UHFFFAOYSA-N 0 1 354.454 2.270 40 10 FECBMN CC1CCN(c2nc3c(c(=O)[n-]2)C[N@@H+](Cc2ccccc2O)CC3)CC1 ZINC000012145352 539546957 /nfs/dbraw/zinc/54/69/57/539546957.db2.gz DTHLGLCHAFGSBV-UHFFFAOYSA-N 0 1 354.454 2.270 40 10 FECBMN COC(=O)[C@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033684293 539975470 /nfs/dbraw/zinc/97/54/70/539975470.db2.gz ZOMAUIZRUQOOMS-WIOAZZGGSA-N 0 1 366.373 2.088 40 10 FECBMN Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1ccccc1N ZINC000068602534 221316488 /nfs/dbraw/zinc/31/64/88/221316488.db2.gz LFRSAUQVMRADKD-FMQUCBEESA-N 0 1 367.325 2.353 40 10 FECBMN CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108127275 543282831 /nfs/dbraw/zinc/28/28/31/543282831.db2.gz YDPOMJSVWUVXSX-PTNGSMBKSA-N 0 1 353.334 2.455 40 10 FECBMN CC(=O)C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C ZINC000104124478 222349838 /nfs/dbraw/zinc/34/98/38/222349838.db2.gz XJQZLLRNUMTZNK-FVGNFYTDSA-N 0 1 374.422 2.322 40 10 FECBMN COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000225777561 132286662 /nfs/dbraw/zinc/28/66/62/132286662.db2.gz UQAIUGZSGUFQHO-UHFFFAOYSA-N 0 1 371.510 2.329 40 10 FECBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c1 ZINC000408807319 558690107 /nfs/dbraw/zinc/69/01/07/558690107.db2.gz BTGYGOKWCLIQMS-YBEGLDIGSA-N 0 1 353.378 2.451 40 10 FECBMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 ZINC000409021571 570713500 /nfs/dbraw/zinc/71/35/00/570713500.db2.gz NWWZGIOMGPJCDK-UKTHLTGXSA-N 0 1 359.382 2.316 40 10 FECBMN CC(C)OC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 ZINC000004853178 539394331 /nfs/dbraw/zinc/39/43/31/539394331.db2.gz RYYSURLYGOXITN-UHFFFAOYSA-N 0 1 368.345 2.261 40 10 FECBMN Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@@H]2c1ccc(N(C)C)cc1 ZINC000009265116 539499351 /nfs/dbraw/zinc/49/93/51/539499351.db2.gz XYAFPPQWMUZFRE-SFHVURJKSA-N 0 1 366.469 2.432 40 10 FECBMN COc1cccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1O ZINC000019567208 220273543 /nfs/dbraw/zinc/27/35/43/220273543.db2.gz BOZUFQXSRRGFRE-UHFFFAOYSA-N 0 1 364.405 2.104 40 10 FECBMN COc1cccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1O ZINC000019567208 220273547 /nfs/dbraw/zinc/27/35/47/220273547.db2.gz BOZUFQXSRRGFRE-UHFFFAOYSA-N 0 1 364.405 2.104 40 10 FECBMN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2O)C3)C[C@@H](C)O1 ZINC000019497607 539658407 /nfs/dbraw/zinc/65/84/07/539658407.db2.gz VAFDDAVXLLOQIF-ZIAGYGMSSA-N 0 1 370.453 2.060 40 10 FECBMN CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000409404031 570757608 /nfs/dbraw/zinc/75/76/08/570757608.db2.gz BMKMZRZWGQYXLO-ATVHPVEESA-N 0 1 366.373 2.090 40 10 FECBMN CN1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000216925667 536421593 /nfs/dbraw/zinc/42/15/93/536421593.db2.gz YIXLRLXSSSKJRJ-UHFFFAOYSA-N 0 1 354.410 2.277 40 10 FECBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000002211925 539345477 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