smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)CC ZINC000019499190 539658336 /nfs/dbraw/zinc/65/83/36/539658336.db2.gz HCNBRZHJWXTBGE-GUDVDZBRSA-N 0 1 373.472 2.154 40 30 FEEBMN COC(CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccn1)OC ZINC000005445590 206195587 /nfs/dbraw/zinc/19/55/87/206195587.db2.gz HLQVUXRMMZPBQO-KRWDZBQOSA-N 0 1 368.389 2.279 40 30 FEEBMN COC(CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)OC ZINC000005445592 206196466 /nfs/dbraw/zinc/19/64/66/206196466.db2.gz FGBDJCQIRINXJF-KRWDZBQOSA-N 0 1 368.389 2.279 40 30 FEEBMN N#Cc1cccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1 ZINC000096063384 542990237 /nfs/dbraw/zinc/99/02/37/542990237.db2.gz CEMCBJOJUDTIAK-UXHICEINSA-N 0 1 352.438 2.205 40 30 FEEBMN N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1C[C@H]1CCCO1 ZINC000225872003 548745091 /nfs/dbraw/zinc/74/50/91/548745091.db2.gz NQVBRYRSXDMIJC-LJQANCHMSA-N 0 1 365.481 2.443 40 30 FEEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000408741759 558689481 /nfs/dbraw/zinc/68/94/81/558689481.db2.gz RXDFJMOLCHVLGY-YFEUJDIGSA-N 0 1 368.374 2.361 40 30 FEEBMN NC(=S)N/N=C/c1cc(Br)cc(Br)c1O ZINC000001107570 539339106 /nfs/dbraw/zinc/33/91/06/539339106.db2.gz KOUSSFCOFUJIJA-KGVSQERTSA-N 0 1 353.039 2.084 40 30 FEEBMN Cc1cc(C(=O)N2CC[C@@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)n[nH]1 ZINC000096072605 542989818 /nfs/dbraw/zinc/98/98/18/542989818.db2.gz JZCKDMUSXRFWNW-VQIMIIECSA-N 0 1 351.410 2.076 40 30 FEEBMN CCCCCCCCn1c2c([nH]c1=NNC(C)C)n(C)c(=O)[nH]c2=O ZINC000100724885 543025473 /nfs/dbraw/zinc/02/54/73/543025473.db2.gz CWZUKNSIHZPGAH-UHFFFAOYSA-N 0 1 350.467 2.109 40 30 FEEBMN CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 ZINC000223016016 548714388 /nfs/dbraw/zinc/71/43/88/548714388.db2.gz SHPHFXIABKFNKU-UHFFFAOYSA-N 0 1 359.407 2.117 40 30 FEEBMN CCn1cc(CN2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)cn1 ZINC000306130883 553749001 /nfs/dbraw/zinc/74/90/01/553749001.db2.gz JRUCXQLFYUYEGE-FHWLQOOXSA-N 0 1 367.453 2.086 40 30 FEEBMN C#CCOc1ccc2ccccc2c1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000008228354 539480909 /nfs/dbraw/zinc/48/09/09/539480909.db2.gz VXWREOKRRYYSCX-YBFXNURJSA-N 0 1 350.403 2.283 40 30 FEEBMN COC(=O)c1ccc(C=Nn2c(=S)[nH]nc2-n2nc(C)cc2C)cc1 ZINC000007757212 204305299 /nfs/dbraw/zinc/30/52/99/204305299.db2.gz PZKVPJCKVGZIIF-RQZCQDPDSA-N 0 1 356.411 2.412 40 30 FEEBMN CC(=NNc1cc(N2CCOCC2)nc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000005003248 518464616 /nfs/dbraw/zinc/46/46/16/518464616.db2.gz NUGXHRXXPNHYDL-UDWIEESQSA-N 0 1 356.386 2.366 40 30 FEEBMN CC(=N[N-]c1cc(N2CCOCC2)nc(C)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000005003248 518464623 /nfs/dbraw/zinc/46/46/23/518464623.db2.gz NUGXHRXXPNHYDL-UDWIEESQSA-N 0 1 356.386 2.366 40 30 FEEBMN COCc1cc(C)nc(N=NCc2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N ZINC000033851229 522916922 /nfs/dbraw/zinc/91/69/22/522916922.db2.gz KRBKNPOKPGEVSP-GXHLCREISA-N 0 1 369.337 2.491 40 30 FEEBMN C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 ZINC000408993773 558689935 /nfs/dbraw/zinc/68/99/35/558689935.db2.gz FPFCDVMXCJORAO-UHFFFAOYSA-N 0 1 365.389 2.408 40 30 FEEBMN N#Cc1c2c(sc1NC(=O)CSc1nc(N)cc(N)n1)CCCC2 ZINC000004126541 206168323 /nfs/dbraw/zinc/16/83/23/206168323.db2.gz TVEWJJPHYQIJIY-UHFFFAOYSA-N 0 1 360.468 2.184 40 30 FEEBMN Cc1ncsc1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 ZINC000096109117 542991888 /nfs/dbraw/zinc/99/18/88/542991888.db2.gz WOSHCPHSYRKIKW-QAPCUYQASA-N 0 1 356.451 2.246 40 30 FEEBMN O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@H]2CN3CCC2CC3)ccc1Cl ZINC000001657171 527324914 /nfs/dbraw/zinc/32/49/14/527324914.db2.gz QAEPWEWYYUOSQG-TVYFDWKESA-N 0 1 367.862 2.140 40 30 FEEBMN C=CCN(C)C(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298142 291048318 /nfs/dbraw/zinc/04/83/18/291048318.db2.gz OBLDXPMLBOZDAR-OTWHNJEPSA-N 0 1 365.481 2.300 40 30 biogenic,in-vitro FEEBMN CCC1S/C(=N/S(=O)(=O)c2ccccc2)N(CCCOC)C1=O ZINC000004744570 207044850 /nfs/dbraw/zinc/04/48/50/207044850.db2.gz OAGUVASPLAKLRM-ZGTROFRASA-N 0 1 356.469 2.122 40 30 FEEBMN COc1ccc(CN/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC ZINC000020195759 524017556 /nfs/dbraw/zinc/01/75/56/524017556.db2.gz PKQJFLVJEMBOGY-VXLYETTFSA-N 0 1 361.354 2.450 40 30 FEEBMN COc1cc(C=Nn2c(C(F)(F)Cl)n[nH]c2=S)cc(OC)c1O ZINC000008469716 539486741 /nfs/dbraw/zinc/48/67/41/539486741.db2.gz JKNVBCKDABMGQG-FZSIALSZSA-N 0 1 364.761 2.460 40 30 FEEBMN C=CCOc1ccccc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019016108 539650587 /nfs/dbraw/zinc/65/05/87/539650587.db2.gz WYEBOYQRNSOPBS-UHFFFAOYSA-N 0 1 366.465 2.493 40 30 FEEBMN CN(CCO)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006367892 522886923 /nfs/dbraw/zinc/88/69/23/522886923.db2.gz MGBSWQSCNPSKRM-GZTJUZNOSA-N 0 1 359.342 2.378 40 30 FEEBMN CN(C)CC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 ZINC000012222330 539550152 /nfs/dbraw/zinc/55/01/52/539550152.db2.gz KPBBOGWQJAVEIA-UHFFFAOYSA-N 0 1 368.481 2.162 40 30 FEEBMN Cn1cc(CN2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)cn1 ZINC000096228999 209140448 /nfs/dbraw/zinc/14/04/48/209140448.db2.gz HMUDPVZMUMEADE-NRFANRHFSA-N 0 1 365.481 2.411 40 30 FEEBMN Cc1cc(C(=O)N2CC[C@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)n[nH]1 ZINC000096072604 209107223 /nfs/dbraw/zinc/10/72/23/209107223.db2.gz JZCKDMUSXRFWNW-APWZRJJASA-N 0 1 351.410 2.076 40 30 FEEBMN N#Cc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 ZINC000096112058 542991695 /nfs/dbraw/zinc/99/16/95/542991695.db2.gz GVMZDZNNIAVVLW-PBHICJAKSA-N 0 1 365.368 2.209 40 30 biogenic,in-vitro FEEBMN CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 ZINC000223016656 548714499 /nfs/dbraw/zinc/71/44/99/548714499.db2.gz DTGOPPXCVLNNDL-UHFFFAOYSA-N 0 1 373.434 2.312 40 30 FEEBMN COC(=O)[C@@]1(CCC#N)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 ZINC000072341116 541800613 /nfs/dbraw/zinc/80/06/13/541800613.db2.gz AETMTDBLOFOLKO-XAUMDUMWSA-N 0 1 356.422 2.464 40 30 FEEBMN C=CCNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000004895229 539394939 /nfs/dbraw/zinc/39/49/39/539394939.db2.gz ZXPRWTBLBVUGIL-UHFFFAOYSA-N 0 1 367.375 2.389 40 30 FEEBMN Cc1cc(C(=O)N2CC[C@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)n[nH]1 ZINC000096072602 209106463 /nfs/dbraw/zinc/10/64/63/209106463.db2.gz JZCKDMUSXRFWNW-LPHOPBHVSA-N 0 1 351.410 2.076 40 30 FEEBMN CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)n[nH]1 ZINC000408581985 558687300 /nfs/dbraw/zinc/68/73/00/558687300.db2.gz KNULAEYTZAGRJU-UHFFFAOYSA-N 0 1 362.484 2.019 40 30 FEEBMN CCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)n1 ZINC000408581985 558687302 /nfs/dbraw/zinc/68/73/02/558687302.db2.gz KNULAEYTZAGRJU-UHFFFAOYSA-N 0 1 362.484 2.019 40 30 FEEBMN Cc1nc(NC(=[NH2+])Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1CC#N ZINC000020555602 220332897 /nfs/dbraw/zinc/33/28/97/220332897.db2.gz GXDPTALWHOGEMZ-UHFFFAOYSA-N 0 1 350.304 2.222 40 30 FEEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2cccnc2)cc1OC ZINC000005408739 263341300 /nfs/dbraw/zinc/34/13/00/263341300.db2.gz ALRYMAALADYCBB-INIZCTEOSA-N 0 1 354.362 2.307 40 30 FEEBMN COc1cc2c(cc1OC)N(C1CSC1)C(=O)C2=N[N-]c1cccc[nH+]1 ZINC000223736321 523034244 /nfs/dbraw/zinc/03/42/44/523034244.db2.gz RSQBYALFQAFAKQ-FXBPSFAMSA-N 0 1 370.434 2.377 40 30 FEEBMN N=C1SC(=Cc2ccc(OCC(N)=O)cc2)C(O)=C1c1nccs1 ZINC000033793106 539975187 /nfs/dbraw/zinc/97/51/87/539975187.db2.gz DCAINOSDQKSXAQ-YKWRUIJSSA-N 0 1 359.432 2.425 40 30 FEEBMN Cc1ccc(N2C(=O)C(=CNNc3ccccc3)C(=O)NC2=S)cc1 ZINC000408757165 558689410 /nfs/dbraw/zinc/68/94/10/558689410.db2.gz VFCOSZIVFFMNNJ-MXDDHBLUSA-N 0 1 352.419 2.457 40 30 FEEBMN Cc1cc(C)nc([N-][NH+]=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 ZINC000409020509 558690301 /nfs/dbraw/zinc/69/03/01/558690301.db2.gz QBHHHJNBLHNPCT-WQRHYEAKSA-N 0 1 356.386 2.284 40 30 FEEBMN N=C1SC(=Cc2ccc(OCC(N)=O)cc2)C(O)=C1c1nccs1 ZINC000138175095 544394701 /nfs/dbraw/zinc/39/47/01/544394701.db2.gz DCAINOSDQKSXAQ-XRKISCQYSA-N 0 1 359.432 2.425 40 30 FEEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000408741757 558689336 /nfs/dbraw/zinc/68/93/36/558689336.db2.gz RXDFJMOLCHVLGY-XKYMITNMSA-N 0 1 368.374 2.361 40 30 FEEBMN C=CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1I ZINC000408916526 558689855 /nfs/dbraw/zinc/68/98/55/558689855.db2.gz DUZAFPFYWTZHHJ-JXMROGBWSA-N 0 1 370.146 2.036 40 30 FEEBMN CC(=NN=c1nc(N2CCCC2)[nH]c(N2CCOCC2)n1)c1cccs1 ZINC000033959653 571128138 /nfs/dbraw/zinc/12/81/38/571128138.db2.gz CMLROMSKJPUSMY-FYJGNVAPSA-N 0 1 373.486 2.206 40 30 FEEBMN COc1cc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O ZINC000020637989 211291998 /nfs/dbraw/zinc/29/19/98/211291998.db2.gz HLLSCLCOOSGPMO-BZNIZROVSA-N 0 1 364.361 2.440 40 30 FEEBMN COc1ccc(C=Nc2nnc[nH]2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000100724076 222250887 /nfs/dbraw/zinc/25/08/87/222250887.db2.gz XJZBMKAQKMNKQY-IDUWFGFVSA-N 0 1 355.358 2.334 40 30 FEEBMN N#Cc1cccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 ZINC000247633235 549366864 /nfs/dbraw/zinc/36/68/64/549366864.db2.gz CEMCBJOJUDTIAK-PMACEKPBSA-N 0 1 352.438 2.205 40 30 FEEBMN COc1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408741045 558689448 /nfs/dbraw/zinc/68/94/48/558689448.db2.gz NOEFKCWNGOIGNZ-OTGIAGGSSA-N 0 1 353.403 2.462 40 30 FEEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408740440 558689403 /nfs/dbraw/zinc/68/94/03/558689403.db2.gz KQQGFEJDOIQONW-YFEUJDIGSA-N 0 1 368.374 2.361 40 30 FEEBMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cn1 ZINC000408766236 558689943 /nfs/dbraw/zinc/68/99/43/558689943.db2.gz STBUTSVYEDNDMC-LEBHLANCSA-N 0 1 368.418 2.165 40 30 FEEBMN Cc1c(C#N)c(=O)n(CCc2ccccc2)c(O)c1CN1CCCOC1 ZINC000019690862 211245987 /nfs/dbraw/zinc/24/59/87/211245987.db2.gz NIUOPUXTWRNYCG-UHFFFAOYSA-N 0 1 353.422 2.157 40 30 FEEBMN CCOC(=O)c1sc(NC(=O)CSc2nnc(C)[nH]2)c(C#N)c1C ZINC000408528904 558685789 /nfs/dbraw/zinc/68/57/89/558685789.db2.gz XJZUBJNNRUEANU-UHFFFAOYSA-N 0 1 365.440 2.262 40 30 FEEBMN CCOC(=O)c1sc(NC(=O)CSc2nc(C)n[nH]2)c(C#N)c1C ZINC000408528904 558685790 /nfs/dbraw/zinc/68/57/90/558685790.db2.gz XJZUBJNNRUEANU-UHFFFAOYSA-N 0 1 365.440 2.262 40 30 FEEBMN COc1cc(CN=Nc2nn[nH]n2)cc(Br)c1OC(C)C ZINC000035189330 539979031 /nfs/dbraw/zinc/97/90/31/539979031.db2.gz WRUXIASXHOHACY-NSIKDUERSA-N 0 1 355.196 2.204 40 30 FEEBMN COc1cc2c(Cl)c(C#N)cnc2cc1OCCN1CCN(C)CC1 ZINC000329013978 533147031 /nfs/dbraw/zinc/14/70/31/533147031.db2.gz MTBXTVBGVILJKW-UHFFFAOYSA-N 0 1 360.845 2.395 40 30 FEEBMN O=S1(=O)CCC[C@H]1C[NH+]=C([O-])N1CCCn2c(cc3ccccc32)C1 ZINC000329275346 553915696 /nfs/dbraw/zinc/91/56/96/553915696.db2.gz JTYYCUWMGRCUNX-INIZCTEOSA-N 0 1 361.467 2.338 40 30 FEEBMN Cc1ccc(N2C(=O)C(=CNc3cccc(O)c3)C(=O)NC2=S)cc1 ZINC000408758451 558689319 /nfs/dbraw/zinc/68/93/19/558689319.db2.gz KDWTVLPVZPBSCU-GDXCHIGESA-N 0 1 353.403 2.467 40 30 FEEBMN C=C(C)CN1CCN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000022916130 539702173 /nfs/dbraw/zinc/70/21/73/539702173.db2.gz HBTWRGKICADIBC-UHFFFAOYSA-N 0 1 357.498 2.382 40 30 FEEBMN COc1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408741752 263494917 /nfs/dbraw/zinc/49/49/17/263494917.db2.gz RWQOWVRROMVAOW-BKQORJHRSA-N 0 1 353.403 2.462 40 30 FEEBMN Cc1noc(C)c1CN1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1 ZINC000251998403 549660598 /nfs/dbraw/zinc/66/05/98/549660598.db2.gz LMBBFFKDUXPPMJ-WDSOQIARSA-N 0 1 368.437 2.474 40 30 FEEBMN Cc1ccc(N2C(=O)C(=CNc3ccccc3O)C(=O)NC2=S)cc1 ZINC000408766128 558689889 /nfs/dbraw/zinc/68/98/89/558689889.db2.gz ZQMKCWNPXXULSD-BUESGFEBSA-N 0 1 353.403 2.467 40 30 FEEBMN Cc1ccc(N2C(=O)C(=CNc3ccccc3O)C(=O)NC2=S)cc1 ZINC000408766131 558689919 /nfs/dbraw/zinc/68/99/19/558689919.db2.gz ZQMKCWNPXXULSD-UZPSYVQNSA-N 0 1 353.403 2.467 40 30 FEEBMN CCOC(=O)CCc1c(C)nc(NC(=[NH2+])Nc2ccc(C)cc2C)[n-]c1=O ZINC000020477912 520715379 /nfs/dbraw/zinc/71/53/79/520715379.db2.gz JYQWLTUALCLYNP-UHFFFAOYSA-N 0 1 371.441 2.249 40 30 FEEBMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccs1 ZINC000006446283 526267717 /nfs/dbraw/zinc/26/77/17/526267717.db2.gz JKLJWEIFZIETNI-MRXNPFEDSA-N 0 1 373.430 2.335 40 30 FEEBMN O=S1(=O)CCC[C@@H]1C[NH+]=C([O-])N1CCCn2c(cc3ccccc32)C1 ZINC000329275347 553915715 /nfs/dbraw/zinc/91/57/15/553915715.db2.gz JTYYCUWMGRCUNX-MRXNPFEDSA-N 0 1 361.467 2.338 40 30 FEEBMN COc1cc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O ZINC000020637993 220337466 /nfs/dbraw/zinc/33/74/66/220337466.db2.gz HLLSCLCOOSGPMO-MEDUHNTESA-N 0 1 364.361 2.440 40 30 FEEBMN C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OCC)c1OCCC ZINC000409072348 558690404 /nfs/dbraw/zinc/69/04/04/558690404.db2.gz BTWCASAFCLEONZ-UHFFFAOYSA-N 0 1 358.394 2.352 40 30 FEEBMN C=CCn1c2ccccc2c([O-])c(C(=O)NCC[N+](C)(CC)CC)c1=O ZINC000006821535 539438973 /nfs/dbraw/zinc/43/89/73/539438973.db2.gz MFRMNHJXPDZNQB-UHFFFAOYSA-O 0 1 358.462 2.109 40 30 FEEBMN C=CCn1c([O-])c(C(=O)NCC[N+](C)(CC)CC)c(=O)c2ccccc21 ZINC000006821535 539438976 /nfs/dbraw/zinc/43/89/76/539438976.db2.gz MFRMNHJXPDZNQB-UHFFFAOYSA-O 0 1 358.462 2.109 40 30 FEEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000408765585 558689270 /nfs/dbraw/zinc/68/92/70/558689270.db2.gz WKZZCNCDFGEKKY-SMLKNPDNSA-N 0 1 353.403 2.467 40 30 FEEBMN 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357.479 2.103 40 30 biogenic,in-vitro FEEBMN O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@H]2CN3CCC2CC3)ccc1Cl ZINC000033615408 539975306 /nfs/dbraw/zinc/97/53/06/539975306.db2.gz QAEPWEWYYUOSQG-KCXFFNSDSA-N 0 1 367.862 2.140 40 30 FEEBMN CCCOc1ccc(C=NNc2cc(N3CCOCC3)ncn2)c(O)c1 ZINC000005003227 520323828 /nfs/dbraw/zinc/32/38/28/520323828.db2.gz HMGMKGBHYZAOTA-CIAFOILYSA-N 0 1 357.414 2.254 40 30 FEEBMN Cn1c(=O)c(/C=C2/C(=O)c3ccccc3N(C)C2=O)c(O)c2ccccc21 ZINC000001087348 132380136 /nfs/dbraw/zinc/38/01/36/132380136.db2.gz XTQHDFIGPVLJGJ-PTNGSMBKSA-N 0 1 360.369 2.487 40 30 FEEBMN COc1ccc2[nH]cc(CCNC(=N)Nc3ncccc3[N+](=O)[O-])c2c1 ZINC000225241978 525490795 /nfs/dbraw/zinc/49/07/95/525490795.db2.gz PXIJMKSOUGIZHR-UHFFFAOYSA-N 0 1 354.370 2.449 40 30 FEEBMN COc1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408741041 263495317 /nfs/dbraw/zinc/49/53/17/263495317.db2.gz NOEFKCWNGOIGNZ-MDBUFAAASA-N 0 1 353.403 2.462 40 30 FEEBMN C=CCSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 ZINC000225330533 519090301 /nfs/dbraw/zinc/09/03/01/519090301.db2.gz UICCOPGFEUSKNP-UHFFFAOYSA-N 0 1 370.481 2.440 40 30 FEEBMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccs1 ZINC000006446219 526267866 /nfs/dbraw/zinc/26/78/66/526267866.db2.gz JKLJWEIFZIETNI-INIZCTEOSA-N 0 1 373.430 2.335 40 30 FEEBMN C=CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000409049985 570716351 /nfs/dbraw/zinc/71/63/51/570716351.db2.gz ZENOGQZDVHWIQU-UXBLZVDNSA-N 0 1 353.172 2.203 40 30 FEEBMN Cc1cc(C)nc(NC(=N)N2CCN(c3nsc4ccccc43)CC2)n1 ZINC000016283477 220182562 /nfs/dbraw/zinc/18/25/62/220182562.db2.gz CRGFGMBWTKENQP-UHFFFAOYSA-N 0 1 367.482 2.472 40 30 FEEBMN C[C@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CC2)C[C@H](C)O1 ZINC000002348135 132383295 /nfs/dbraw/zinc/38/32/95/132383295.db2.gz FLEQTDQLCKIVDS-KCQAQPDRSA-N 0 1 365.437 2.129 40 30 FEEBMN N#Cc1cccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)c1 ZINC000096063385 222008312 /nfs/dbraw/zinc/00/83/12/222008312.db2.gz CEMCBJOJUDTIAK-WOJBJXKFSA-N 0 1 352.438 2.205 40 30 FEEBMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408742670 263494942 /nfs/dbraw/zinc/49/49/42/263494942.db2.gz XRHNSVGILGREQA-BKQORJHRSA-N 0 1 353.403 2.462 40 30 FEEBMN C=CCN(C)C(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298137 560108382 /nfs/dbraw/zinc/10/83/82/560108382.db2.gz OBLDXPMLBOZDAR-QRVBRYPASA-N 0 1 365.481 2.300 40 30 biogenic,in-vitro FEEBMN