smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]c(N=NC2CCCC[C@H]2C)n1 ZINC000017352422 342923989 /nfs/dbraw/zinc/92/39/89/342923989.db2.gz ARUSYOXABALNOD-RFEBYODDSA-N 0 2 234.303 2.056 40 30 BEEBLN O=[N+]([O-])c1cc(/C=N/c2cccnc2)ccc1O ZINC000408965200 385413187 /nfs/dbraw/zinc/41/31/87/385413187.db2.gz UOCRGPZLAJZBQA-VGOFMYFVSA-N 0 2 243.222 2.446 40 30 BEEBLN O=C(/C(=N/O)c1ccccc1)N1CCCCCC1 ZINC000102919800 387358588 /nfs/dbraw/zinc/35/85/88/387358588.db2.gz DKINJABLXBFHNW-FYWRMAATSA-N 0 2 246.310 2.268 40 30 BEEBLN N#CC(C#N)=C(O)c1ccc(Cl)cc1 ZINC000034514393 343273875 /nfs/dbraw/zinc/27/38/75/343273875.db2.gz JBZXWNWJIIYHGY-UHFFFAOYSA-N 0 2 204.616 2.186 40 30 BEEBLN C/C(=N\O)c1c(O)ccc2c(C)cc(=O)oc21 ZINC000068675226 191002400 /nfs/dbraw/zinc/00/24/00/191002400.db2.gz NLGZHVWFAWBPMA-NTUHNPAUSA-N 0 2 233.223 2.005 40 30 BEEBLN N#Cc1ccc(C(F)(F)F)c(F)c1O ZINC000604221663 370006027 /nfs/dbraw/zinc/00/60/27/370006027.db2.gz PBCABLQFAWWUGF-UHFFFAOYSA-N 0 2 205.110 2.422 40 30 BEEBLN O=CC[C@@](F)(OC(F)(F)F)C(F)(F)F ZINC000002530905 182851946 /nfs/dbraw/zinc/85/19/46/182851946.db2.gz OTKGJIRFRGHHTK-GSVOUGTGSA-N 0 2 228.063 2.340 40 30 BEEBLN O=C(C=N[N-]c1cccc[nH+]1)c1ccccc1 ZINC000101008342 384660973 /nfs/dbraw/zinc/66/09/73/384660973.db2.gz OCRRDGJTWVYFAO-GDNBJRDFSA-N 0 2 225.251 2.362 40 30 BEEBLN COc1cc(OC)c(/C(Cl)=N/O)cc1OC ZINC000228902731 522784365 /nfs/dbraw/zinc/78/43/65/522784365.db2.gz KJYKPJYPAJOATB-BENRWUELSA-N 0 2 245.662 2.087 40 30 BEEBLN O=C(/C=N/O)Nc1ccccc1N1CCCCC1 ZINC000095115859 527660654 /nfs/dbraw/zinc/66/06/54/527660654.db2.gz YUUCNKVDRYUGFT-GXDHUFHOSA-N 0 2 247.298 2.075 40 30 BEEBLN C/C(=N\C(=N)S)c1cc2ccccc2oc1=O ZINC000006691211 342780895 /nfs/dbraw/zinc/78/08/95/342780895.db2.gz QLHASUQYJGLSEU-VGOFMYFVSA-N 0 2 246.291 2.467 40 30 BEEBLN Cc1cc(=O)[nH]c(N=NC2CCCC[C@@H]2C)n1 ZINC000017004032 342919117 /nfs/dbraw/zinc/91/91/17/342919117.db2.gz ARUSYOXABALNOD-GDKSVXJGSA-N 0 2 234.303 2.056 40 30 BEEBLN O=C1Cc2ccccc2C(=O)C1c1cnccn1 ZINC000104271139 188324532 /nfs/dbraw/zinc/32/45/32/188324532.db2.gz BXKMERAGUSGSFJ-UHFFFAOYSA-N 0 2 238.246 2.185 40 30 BEEBLN O=CC[C@](F)(OC(F)(F)F)C(F)(F)F ZINC000016159354 384454321 /nfs/dbraw/zinc/45/43/21/384454321.db2.gz OTKGJIRFRGHHTK-VKHMYHEASA-N 0 2 228.063 2.340 40 30 BEEBLN O=C(CC(=O)C(F)(F)F)c1ccccn1 ZINC000100244410 384626331 /nfs/dbraw/zinc/62/63/31/384626331.db2.gz FVPJCWDPQNYOQL-VMPITWQZSA-N 0 2 217.146 2.269 40 30 BEEBLN COc1ccc(OC(F)(F)F)cc1/C=N/O ZINC000015442409 175162720 /nfs/dbraw/zinc/16/27/20/175162720.db2.gz JUUIIBQGDYBQIC-WLRTZDKTSA-N 0 2 235.161 2.402 40 30 BEEBLN N#C[C@H]1CN(c2ccc(F)c(Cl)c2)CC1=O ZINC000072206666 259314778 /nfs/dbraw/zinc/31/47/78/259314778.db2.gz WBECRYODRBBNGG-ZETCQYMHSA-N 0 2 238.649 2.008 40 30 BEEBLN N#CC1CN(c2ccc(F)c(Cl)c2)CC1=O ZINC000072206666 259314780 /nfs/dbraw/zinc/31/47/80/259314780.db2.gz WBECRYODRBBNGG-ZETCQYMHSA-N 0 2 238.649 2.008 40 30 BEEBLN C=C[C@@H](C)OC(=O)C=C(O)c1ccccc1 ZINC000016929803 188407454 /nfs/dbraw/zinc/40/74/54/188407454.db2.gz NGRKZOSJHLRNIY-SNVBAGLBSA-N 0 2 218.252 2.377 40 30 BEEBLN N#Cc1c(O)c(C(F)(F)F)ccc1F ZINC000097447216 181074704 /nfs/dbraw/zinc/07/47/04/181074704.db2.gz ZPITXCPIKXPVLA-UHFFFAOYSA-N 0 2 205.110 2.422 40 30 BEEBLN COc1cc(Cl)cc(/C=N/O)c1OC(C)=O ZINC000216770967 386798672 /nfs/dbraw/zinc/79/86/72/386798672.db2.gz SVSVKMMDAKXFPA-LFYBBSHMSA-N 0 2 243.646 2.082 40 30 BEEBLN N#Cc1c(O)cc(F)cc1Br ZINC000258836881 398131427 /nfs/dbraw/zinc/13/14/27/398131427.db2.gz QCOGDOFOGACQIB-UHFFFAOYSA-N 0 2 216.009 2.165 40 30 BEEBLN C=CCNC(=S)Nc1ccc(S)cc1 ZINC000016138393 166397955 /nfs/dbraw/zinc/39/79/55/166397955.db2.gz VNNBHDVELOPAPM-UHFFFAOYSA-N 0 2 224.354 2.448 40 30 BEEBLN COc1ccc(/C(Cl)=N/O)c(OC)c1OC ZINC000226099351 175046341 /nfs/dbraw/zinc/04/63/41/175046341.db2.gz WTKAAGIOPPGLBK-BENRWUELSA-N 0 2 245.662 2.087 40 30 BEEBLN CC(C)CCN1c2ccccc2/C(=N/O)C1=O ZINC000006459353 491085802 /nfs/dbraw/zinc/08/58/02/491085802.db2.gz LUQBHVNISNMAKG-OWBHPGMISA-N 0 2 232.283 2.258 40 30 BEEBLN O=[N+]([O-])c1cc(C=NO)ccc1Cl ZINC000252370085 527329274 /nfs/dbraw/zinc/32/92/74/527329274.db2.gz ONIQTTDQIOTCLD-UHFFFAOYSA-N 0 2 200.581 2.056 40 30 BEEBLN CC(=NC(=N)S)c1cc2ccccc2oc1=O ZINC000254482476 388847261 /nfs/dbraw/zinc/84/72/61/388847261.db2.gz QLHASUQYJGLSEU-UHFFFAOYSA-N 0 2 246.291 2.467 40 30 BEEBLN CN(C)/C=C/C(=O)c1cc(Cl)ccc1O ZINC000026461577 172350123 /nfs/dbraw/zinc/35/01/23/172350123.db2.gz HVRGJVQUOZZZAS-AATRIKPKSA-N 0 2 225.675 2.304 40 30 BEEBLN C/C(=N\O)C(=O)c1cccc(Br)c1 ZINC000104095723 187291484 /nfs/dbraw/zinc/29/14/84/187291484.db2.gz FIEKWZGCKWZJHQ-IZZDOVSWSA-N 0 2 242.072 2.482 40 30 BEEBLN N#Cc1c[nH]c2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000031777169 190984147 /nfs/dbraw/zinc/98/41/47/190984147.db2.gz RPISMGBJCPUIMP-UHFFFAOYSA-N 0 2 249.613 2.374 40 30 BEEBLN O=CCC(F)(F)C(F)(F)C(F)(F)F ZINC000002572169 182850186 /nfs/dbraw/zinc/85/01/86/182850186.db2.gz FNUBKINEQIEODM-UHFFFAOYSA-N 0 2 212.064 2.408 40 30 BEEBLN CCOC(=O)c1sc(SC)c(C#N)c1O ZINC000000481492 170310493 /nfs/dbraw/zinc/31/04/93/170310493.db2.gz QIDAHTFFTBMWHZ-UHFFFAOYSA-N 0 2 243.309 2.224 40 30 BEEBLN O/N=C(\Cl)c1ccc2nccnc2c1 ZINC000514252399 1167523797 /nfs/dbraw/zinc/52/37/97/1167523797.db2.gz BFWWQDJKTZJVEZ-LCYFTJDESA-N 0 2 207.620 2.004 40 30 BEEBLN O/N=C/c1snnc1-c1ccccc1 ZINC000013402253 384358023 /nfs/dbraw/zinc/35/80/23/384358023.db2.gz OOXKLBANBDAIPJ-UXBLZVDNSA-N 0 2 205.242 2.013 40 30 BEEBLN CCC(=N\O)/C(=N/O)c1ccc(C)cc1 ZINC000006590991 168197114 /nfs/dbraw/zinc/19/71/14/168197114.db2.gz QDRPOJFOMIMHHQ-DCIPZJNNSA-N 0 2 206.245 2.414 40 30 BEEBLN CCOC(=O)N(Cc1ccccc1)C(=O)CC#N ZINC000026475894 170238699 /nfs/dbraw/zinc/23/86/99/170238699.db2.gz CAAFDYKIGYVNPV-UHFFFAOYSA-N 0 2 246.266 2.085 40 30 BEEBLN COc1ccc2c(c1)CCC(C=O)=C2O ZINC000100515004 175208090 /nfs/dbraw/zinc/20/80/90/175208090.db2.gz DLZNDSMSFGMMHU-CLFYSBASSA-N 0 2 204.225 2.266 40 30 BEEBLN CCCCCN1c2ccccc2/C(=N/O)C1=O ZINC000046085073 1171474406 /nfs/dbraw/zinc/47/44/06/1171474406.db2.gz AKSCSTZXUMOPMV-OWBHPGMISA-N 0 2 232.283 2.402 40 30 BEEBLN C=CCN1c2c(ccc(C)c2C)/C(=N/O)C1=O ZINC000046084769 1171474574 /nfs/dbraw/zinc/47/45/74/1171474574.db2.gz XDMRBOIBUPVOKQ-KAMYIIQDSA-N 0 2 230.267 2.014 40 30 BEEBLN N#C[C@@H](c1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000001653921 342707391 /nfs/dbraw/zinc/70/73/91/342707391.db2.gz QIJWZKVYVHEKPL-VIFPVBQESA-N 0 2 240.222 2.040 40 30 BEEBLN N#CC(c1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000001653921 342707393 /nfs/dbraw/zinc/70/73/93/342707393.db2.gz QIJWZKVYVHEKPL-VIFPVBQESA-N 0 2 240.222 2.040 40 30 BEEBLN O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccn2)c1 ZINC000001703619 342710278 /nfs/dbraw/zinc/71/02/78/342710278.db2.gz OXDZBSPFBVPRHP-RIYZIHGNSA-N 0 2 243.222 2.446 40 30 BEEBLN Cc1cc(=O)[nH]c(N=NC2CCCC[C@@H]2C)n1 ZINC000004876765 342753936 /nfs/dbraw/zinc/75/39/36/342753936.db2.gz ARUSYOXABALNOD-TWFNCOQOSA-N 0 2 234.303 2.056 40 30 BEEBLN N#C[C@H](c1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000008464942 187249103 /nfs/dbraw/zinc/24/91/03/187249103.db2.gz QIJWZKVYVHEKPL-SECBINFHSA-N 0 2 240.222 2.040 40 30 BEEBLN N#CC(c1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000008464942 187249104 /nfs/dbraw/zinc/24/91/04/187249104.db2.gz QIJWZKVYVHEKPL-SECBINFHSA-N 0 2 240.222 2.040 40 30 BEEBLN N#Cc1cc2cc3c(cc2[nH]c1=S)OCCO3 ZINC000013483184 181093871 /nfs/dbraw/zinc/09/38/71/181093871.db2.gz DHGDMUNNRICMBN-UHFFFAOYSA-N 0 2 244.275 2.166 40 30 BEEBLN CCCN1C(=O)/C(=N\O)c2ccc(C)c(C)c21 ZINC000046084770 1171473889 /nfs/dbraw/zinc/47/38/89/1171473889.db2.gz FKBJQWBADWZYRU-KAMYIIQDSA-N 0 2 232.283 2.238 40 30 BEEBLN Cc1cc(=O)[nH]c(N=NC2CCCC[C@H]2C)n1 ZINC000004876766 342753877 /nfs/dbraw/zinc/75/38/77/342753877.db2.gz ARUSYOXABALNOD-CXDTUUPPSA-N 0 2 234.303 2.056 40 30 BEEBLN O=[N+]([O-])c1ccc(O)c(/N=C\c2ccccn2)c1 ZINC000017425245 342924783 /nfs/dbraw/zinc/92/47/83/342924783.db2.gz OXDZBSPFBVPRHP-ZSOIEALJSA-N 0 2 243.222 2.446 40 30 BEEBLN CC(C)/N=C/c1cccc([N+](=O)[O-])c1O ZINC000036617536 188106326 /nfs/dbraw/zinc/10/63/26/188106326.db2.gz OXGHPQAQGNVZIH-IZZDOVSWSA-N 0 2 208.217 2.128 40 30 BEEBLN N#CCC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002579791 181033978 /nfs/dbraw/zinc/03/39/78/181033978.db2.gz LTFOZLMSIJFGKV-UHFFFAOYSA-N 0 2 235.111 2.478 40 30 BEEBLN CC(C)c1ccc(C(/C=N/O)=N\O)cc1 ZINC000005413328 342763372 /nfs/dbraw/zinc/76/33/72/342763372.db2.gz ZEZKUWWOUAJWAK-MHUJIAIDSA-N 0 2 206.245 2.448 40 30 BEEBLN O=[N+]([O-])c1ccc(O)c(/C=N/N2CCCCC2)c1 ZINC000035610713 343300507 /nfs/dbraw/zinc/30/05/07/343300507.db2.gz ONZLJAXIAZKLQL-UKTHLTGXSA-N 0 2 249.270 2.120 40 30 BEEBLN C/C(=N/O)C(=O)c1ccc(Br)cc1 ZINC000100059063 384612402 /nfs/dbraw/zinc/61/24/02/384612402.db2.gz SSNIXANZPPREMK-WDZFZDKYSA-N 0 2 242.072 2.482 40 30 BEEBLN Cc1noc(/C=N/O)c1NC(=O)OC(C)(C)C ZINC000217888755 388383046 /nfs/dbraw/zinc/38/30/46/388383046.db2.gz QJVKCZHTNMRPCQ-VZUCSPMQSA-N 0 2 241.247 2.138 40 30 BEEBLN N#Cc1c[nH]c2c(F)cc(F)cc2c1=O ZINC000019434659 398313607 /nfs/dbraw/zinc/31/36/07/398313607.db2.gz WKUWDEQTGJCPIY-UHFFFAOYSA-N 0 2 206.151 2.090 40 30 BEEBLN O=[N+]([O-])c1cc(/C=N/O)ccc1OC(F)F ZINC000085397020 385162450 /nfs/dbraw/zinc/16/24/50/385162450.db2.gz GJVSPGVPKHCZTN-NYYWCZLTSA-N 0 2 232.142 2.004 40 30 BEEBLN CCCCN1C(=O)/C(=N\O)c2cccc(C)c21 ZINC000046084795 1171475225 /nfs/dbraw/zinc/47/52/25/1171475225.db2.gz JFJGMPADZYDEPJ-KAMYIIQDSA-N 0 2 232.283 2.320 40 30 BEEBLN Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)no1 ZINC000036182679 342814479 /nfs/dbraw/zinc/81/44/79/342814479.db2.gz GHHBANVFFHKWMM-WUXMJOGZSA-N 0 2 247.210 2.347 40 30 BEEBLN O=[N+]([O-])c1ccc(O)c(/C=N\N2CCCCC2)c1 ZINC000017001666 342918846 /nfs/dbraw/zinc/91/88/46/342918846.db2.gz ONZLJAXIAZKLQL-LCYFTJDESA-N 0 2 249.270 2.120 40 30 BEEBLN O=[N+]([O-])c1cccc(/C=N/c2ccncc2)c1O ZINC000005590414 353560902 /nfs/dbraw/zinc/56/09/02/353560902.db2.gz RCIPTVAZQPHNCX-RIYZIHGNSA-N 0 2 243.222 2.446 40 30 BEEBLN N#Cc1cc(Br)c(=O)[nH]c1C1CC1 ZINC000096510653 181081861 /nfs/dbraw/zinc/08/18/61/181081861.db2.gz QZIFKMPNYCVHKV-UHFFFAOYSA-N 0 2 239.072 2.299 40 30 BEEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccn2)c1 ZINC000095081364 384358667 /nfs/dbraw/zinc/35/86/67/384358667.db2.gz XXWPLMSLMQTBCK-RIYZIHGNSA-N 0 2 243.222 2.446 40 30 BEEBLN O=C(/C=N\O)Nc1ccc2ccccc2c1 ZINC000017147524 386588406 /nfs/dbraw/zinc/58/84/06/386588406.db2.gz ILGLRQPETIIUMV-JYRVWZFOSA-N 0 2 214.224 2.238 40 30 BEEBLN CCCN1C(=O)/C(=N\O)c2cc(C)cc(C)c21 ZINC000046084943 1171474039 /nfs/dbraw/zinc/47/40/39/1171474039.db2.gz MZJZUUFKGZZDHE-KAMYIIQDSA-N 0 2 232.283 2.238 40 30 BEEBLN CCCCN1c2ccc(C)cc2/C(=N/O)C1=O ZINC000046085159 1171475618 /nfs/dbraw/zinc/47/56/18/1171475618.db2.gz AWELQOMNYRJISC-OWBHPGMISA-N 0 2 232.283 2.320 40 30 BEEBLN C=CCC1=C([C@@H]2CO2)C(=O)c2ccccc2C1=O ZINC000005554710 342765899 /nfs/dbraw/zinc/76/58/99/342765899.db2.gz BZHTZYMZBQZFIZ-LBPRGKRZSA-N 0 2 240.258 2.337 40 30 BEEBLN CC(=O)C(=N\[O-])/C(C)=[NH+]/C1CCCCC1 ZINC000006561892 342779390 /nfs/dbraw/zinc/77/93/90/342779390.db2.gz DTLOZWTUVDIQEC-JERBJKNKSA-N 0 2 210.277 2.199 40 30 BEEBLN C=CCC1=C([C@H]2CO2)C(=O)c2ccccc2C1=O ZINC000001587483 383908628 /nfs/dbraw/zinc/90/86/28/383908628.db2.gz BZHTZYMZBQZFIZ-GFCCVEGCSA-N 0 2 240.258 2.337 40 30 BEEBLN C/C(=N/O)C(=O)c1cccc(Br)c1 ZINC000012495367 384323125 /nfs/dbraw/zinc/32/31/25/384323125.db2.gz FIEKWZGCKWZJHQ-WDZFZDKYSA-N 0 2 242.072 2.482 40 30 BEEBLN O=[N+]([O-])c1cccc(C=NO)c1Cl ZINC000256081510 527384274 /nfs/dbraw/zinc/38/42/74/527384274.db2.gz QYDRUMLZLJQLPX-UHFFFAOYSA-N 0 2 200.581 2.056 40 30 BEEBLN C=CCN1c2c(c(C)ccc2C)/C(=N/O)C1=O ZINC000046085254 1171475054 /nfs/dbraw/zinc/47/50/54/1171475054.db2.gz NFQBNWJALROCRX-KAMYIIQDSA-N 0 2 230.267 2.014 40 30 BEEBLN O=[N+]([O-])c1cccc(/C=N/c2cccnc2)c1O ZINC000005331275 342762253 /nfs/dbraw/zinc/76/22/53/342762253.db2.gz AMFPSVRWLFXVLL-VGOFMYFVSA-N 0 2 243.222 2.446 40 30 BEEBLN C/C(=N/O)c1cccc2c1OC(F)(F)O2 ZINC000036467402 383901214 /nfs/dbraw/zinc/90/12/14/383901214.db2.gz QRIQHOPKEGXRFX-XGICHPGQSA-N 0 2 215.155 2.206 40 30 BEEBLN CC(C)(C)S(=O)(=O)c1ccccc1/C=N/O ZINC000100079265 384616999 /nfs/dbraw/zinc/61/69/99/384616999.db2.gz QVHKDPFFBKNVMM-XYOKQWHBSA-N 0 2 241.312 2.067 40 30 BEEBLN O=[N+]([O-])c1cccc(/C=N\O)c1Cl ZINC000100378203 384638526 /nfs/dbraw/zinc/63/85/26/384638526.db2.gz QYDRUMLZLJQLPX-WTKPLQERSA-N 0 2 200.581 2.056 40 30 BEEBLN N#CCc1cc(C#N)cc(Br)c1O ZINC000225724497 388843096 /nfs/dbraw/zinc/84/30/96/388843096.db2.gz SBMQPJZBEIFAPN-UHFFFAOYSA-N 0 2 237.056 2.092 40 30 BEEBLN C=CCN1c2c(cc(C)cc2C)/C(=N/O)C1=O ZINC000046084942 1171475244 /nfs/dbraw/zinc/47/52/44/1171475244.db2.gz ZJJHXUDXOZQRJG-KAMYIIQDSA-N 0 2 230.267 2.014 40 30 BEEBLN N#C[C@@H]1CN(c2ccc(F)c(Cl)c2)CC1=O ZINC000072206668 259314612 /nfs/dbraw/zinc/31/46/12/259314612.db2.gz WBECRYODRBBNGG-SSDOTTSWSA-N 0 2 238.649 2.008 40 30 BEEBLN N#CC1CN(c2ccc(F)c(Cl)c2)CC1=O ZINC000072206668 259314614 /nfs/dbraw/zinc/31/46/14/259314614.db2.gz WBECRYODRBBNGG-SSDOTTSWSA-N 0 2 238.649 2.008 40 30 BEEBLN COc1ccc2c(c1)CCC(C=O)=C2O ZINC000100515002 175208116 /nfs/dbraw/zinc/20/81/16/175208116.db2.gz DLZNDSMSFGMMHU-VQHVLOKHSA-N 0 2 204.225 2.266 40 30 BEEBLN CCCCN1c2cccc(C)c2/C(=N/O)C1=O ZINC000046085144 1171473542 /nfs/dbraw/zinc/47/35/42/1171473542.db2.gz WCMXTHMJDOBYNG-OWBHPGMISA-N 0 2 232.283 2.320 40 30 BEEBLN C=C[C@H](C)OC(=O)C=C(O)c1ccccc1 ZINC000001716733 188226612 /nfs/dbraw/zinc/22/66/12/188226612.db2.gz NGRKZOSJHLRNIY-JTQLQIEISA-N 0 2 218.252 2.377 40 30 BEEBLN N#Cc1ccc(Br)c(F)c1O ZINC000238721394 181096922 /nfs/dbraw/zinc/09/69/22/181096922.db2.gz PLHIHAKUOQAJFL-UHFFFAOYSA-N 0 2 216.009 2.165 40 30 BEEBLN CCCCN1c2ccccc2/C(=N/O)C1=O ZINC000100128854 384618739 /nfs/dbraw/zinc/61/87/39/384618739.db2.gz VTDYYEHUKNYOKE-QBFSEMIESA-N 0 2 218.256 2.012 40 30 BEEBLN N#CC(C#N)=C(O)c1ccc(Br)cc1 ZINC000088329579 386965174 /nfs/dbraw/zinc/96/51/74/386965174.db2.gz CHEOESWYWGVGDX-UHFFFAOYSA-N 0 2 249.067 2.295 40 30 BEEBLN COc1cccc(/C(Cl)=N/O)c1OC ZINC000226099379 175239889 /nfs/dbraw/zinc/23/98/89/175239889.db2.gz OSUNXCDPHNBUCZ-LUAWRHEFSA-N 0 2 215.636 2.078 40 30 BEEBLN