smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C=NNC(=N)N)c2ccccc12 ZINC000095598645 178357880 /nfs/dbraw/zinc/35/78/80/178357880.db2.gz RIGHXRZXELDLPK-LZYBPNLTSA-N 0 3 226.283 1.965 1 30 BDEFHN CC(=O)N1CCCCC[C@@H]1C#CCN1CCCC1 ZINC000026938827 187207592 /nfs/dbraw/zinc/20/75/92/187207592.db2.gz WULCBOSTMCYKCZ-OAHLLOKOSA-N 0 3 248.370 1.877 1 30 BDEFHN CC1([C@H](N)C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCC1 ZINC000026576208 187255246 /nfs/dbraw/zinc/25/52/46/187255246.db2.gz NBDXZVDMVHEUKD-CHWFTXMASA-N 0 3 233.315 1.017 1 30 BDEFHN CC1([C@@H](N)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1 ZINC000026576209 168071882 /nfs/dbraw/zinc/07/18/82/168071882.db2.gz NBDXZVDMVHEUKD-RCWTZXSCSA-N 0 3 233.315 1.017 1 30 BDEFHN CC1([C@@H](N)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCCC1 ZINC000026576935 168071968 /nfs/dbraw/zinc/07/19/68/168071968.db2.gz ILKDJTUPKUDSIV-RHYQMDGZSA-N 0 3 247.342 1.407 1 30 BDEFHN CCOC(=O)N(C)[C@H](C)C#CCN1CCCC1 ZINC000013823343 170237650 /nfs/dbraw/zinc/23/76/50/170237650.db2.gz IXYXTXXZOXRCQY-GFCCVEGCSA-N 0 3 238.331 1.562 1 30 BDEFHN N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCCC1 ZINC000026576886 181070728 /nfs/dbraw/zinc/07/07/28/181070728.db2.gz YXAYKXKMMGMPEY-WYUUTHIRSA-N 0 3 233.315 1.017 1 30 BDEFHN N#C[C@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1 ZINC000040834809 181069097 /nfs/dbraw/zinc/06/90/97/181069097.db2.gz SXNUNNAPZNTPQV-NEPJUHHUSA-N 0 3 235.331 1.409 1 30 BDEFHN CC[C@H](C)[C@H](N)C(=O)N1CSCC[C@@H]1C#N ZINC000026664565 171394809 /nfs/dbraw/zinc/39/48/09/171394809.db2.gz NMZWRTSAOXUWBU-AEJSXWLSSA-N 0 3 241.360 1.175 1 30 BDEFHN N#CC(C(=O)C(N)=O)c1ccccc1Cl ZINC000001622661 181054586 /nfs/dbraw/zinc/05/45/86/181054586.db2.gz YDWCLBRLSIFGGA-SSDOTTSWSA-N 0 3 222.631 1.002 1 30 BDEFHN N#C[C@H]1CC=NN1C(=O)CNC1CCCCC1 ZINC000028377031 181067519 /nfs/dbraw/zinc/06/75/19/181067519.db2.gz UKNOPRISSXWHAU-LLVKDONJSA-N 0 3 234.303 1.019 1 30 BDEFHN N#C[C@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 ZINC000040834811 181068864 /nfs/dbraw/zinc/06/88/64/181068864.db2.gz SXNUNNAPZNTPQV-VXGBXAGGSA-N 0 3 235.331 1.409 1 30 BDEFHN N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCCCC1 ZINC000026577928 181070917 /nfs/dbraw/zinc/07/09/17/181070917.db2.gz AUZKIXDVTSZLDZ-NDBYEHHHSA-N 0 3 247.342 1.407 1 30 BDEFHN N#Cc1ccc2ccoc2c1N1CCNCC1 ZINC000013741480 132322406 /nfs/dbraw/zinc/32/24/06/132322406.db2.gz KCCAOGJTUVSJOJ-UHFFFAOYSA-N 0 3 227.267 1.714 1 30 BDEFHN C#CCNCCc1cccc(OC(=O)N(C)C)c1 ZINC000013492328 166187966 /nfs/dbraw/zinc/18/79/66/166187966.db2.gz HYXHQZASJISSQN-UHFFFAOYSA-N 0 3 246.310 1.512 1 30 BDEFHN CCC(C)(C)[C@@H](N)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N ZINC000058655290 168304159 /nfs/dbraw/zinc/30/41/59/168304159.db2.gz APAZYVZBHAXPLE-ZDCRXTMVSA-N 0 3 235.331 1.263 1 30 BDEFHN CC[C@H](C)[C@H](N)C(=O)N1CSCC[C@H]1C#N ZINC000026664574 171394140 /nfs/dbraw/zinc/39/41/40/171394140.db2.gz NMZWRTSAOXUWBU-GUBZILKMSA-N 0 3 241.360 1.175 1 30 BDEFHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@]1(C)C#N ZINC000026664584 171394599 /nfs/dbraw/zinc/39/45/99/171394599.db2.gz FPVLYHRLWKMPCD-NHCYSSNCSA-N 0 3 223.320 1.264 1 30 BDEFHN C[C@H]1CCc2ccccc2C1=NNC(=N)N ZINC000029224529 177209966 /nfs/dbraw/zinc/20/99/66/177209966.db2.gz DZRRZZJXFFZTBW-NIYMHHKZSA-N 0 3 216.288 1.246 1 30 BDEFHN CC1([C@H](N)C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCCC1 ZINC000026576934 187255267 /nfs/dbraw/zinc/25/52/67/187255267.db2.gz ILKDJTUPKUDSIV-WISYIIOYSA-N 0 3 247.342 1.407 1 30 BDEFHN COc1ccc(C[n+]2cccc(/C=N/[O-])c2)cc1 ZINC000045253614 175117946 /nfs/dbraw/zinc/11/79/46/175117946.db2.gz XGZKPYKXSYDBQW-OQLLNIDSSA-O 0 3 243.286 1.839 1 30 BDEFHN N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1CCCCC1 ZINC000026577929 181070734 /nfs/dbraw/zinc/07/07/34/181070734.db2.gz AUZKIXDVTSZLDZ-FVCCEPFGSA-N 0 3 247.342 1.407 1 30 BDEFHN C=CCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000027554507 166354503 /nfs/dbraw/zinc/35/45/03/166354503.db2.gz OICIDIZTEFPXQY-ZWNOBZJWSA-N 0 3 217.316 1.775 1 30 BDEFHN CC1([C@@H](N)C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCC1 ZINC000026576207 168071901 /nfs/dbraw/zinc/07/19/01/168071901.db2.gz NBDXZVDMVHEUKD-ZNSHCXBVSA-N 0 3 233.315 1.017 1 30 BDEFHN CC(=O)N1CCCCC[C@H]1C#CCN1CCCC1 ZINC000026938833 187372103 /nfs/dbraw/zinc/37/21/03/187372103.db2.gz WULCBOSTMCYKCZ-HNNXBMFYSA-N 0 3 248.370 1.877 1 30 BDEFHN NCSCC[C@@H](S)CCCCC(N)=O ZINC000012496810 571695393 /nfs/dbraw/zinc/69/53/93/571695393.db2.gz KALYVIJGKPJBQV-QMMMGPOBSA-N 0 3 236.406 1.370 1 30 endogenous,in-man BDEFHN C=CC[n+]1cc(C=N[O-])n(C)c1SC ZINC000103021216 188150217 /nfs/dbraw/zinc/15/02/17/188150217.db2.gz LWAMFNPIIMVHNO-POHAHGRESA-O 0 3 212.298 1.029 1 30 BDEFHN C#CCNCCOc1ccc2ccc(=O)oc2c1 ZINC000103271097 166187300 /nfs/dbraw/zinc/18/73/00/166187300.db2.gz PFYDYKKZITXWEE-UHFFFAOYSA-N 0 3 243.262 1.395 1 30 BDEFHN C[C@@H]1CCc2ccccc2C1=NNC(=N)N ZINC000101192096 176240236 /nfs/dbraw/zinc/24/02/36/176240236.db2.gz DZRRZZJXFFZTBW-JNFXEEFXSA-N 0 3 216.288 1.246 1 30 BDEFHN C=CCN1CCC[C@@H]2Cc3n[nH]cc3C[C@@H]21 ZINC000027554505 166355834 /nfs/dbraw/zinc/35/58/34/166355834.db2.gz OICIDIZTEFPXQY-MFKMUULPSA-N 0 3 217.316 1.775 1 30 BDEFHN COc1ccc2c(c1)C(=NNC(=N)N)CCC2 ZINC000029226540 175206217 /nfs/dbraw/zinc/20/62/17/175206217.db2.gz WFIFYMSOXCLBRU-PTNGSMBKSA-N 0 3 232.287 1.009 1 30 BDEFHN C=CC1([C@H](N)C(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C#N)CCC1 ZINC000169349570 188161953 /nfs/dbraw/zinc/16/19/53/188161953.db2.gz DVSHKRPWQKYTCX-IRCOFANPSA-N 0 3 245.326 1.183 1 30 BDEFHN CCC(C)(C)[C@@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N ZINC000028462525 168304077 /nfs/dbraw/zinc/30/40/77/168304077.db2.gz APAZYVZBHAXPLE-RCWTZXSCSA-N 0 3 235.331 1.263 1 30 BDEFHN C=CC(C)(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N ZINC000169360065 188161244 /nfs/dbraw/zinc/16/12/44/188161244.db2.gz GSCSWPJNZSKJNO-LNFKQOIKSA-N 0 3 233.315 1.039 1 30 BDEFHN N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCCCC1 ZINC000013560893 181061767 /nfs/dbraw/zinc/06/17/67/181061767.db2.gz AUZKIXDVTSZLDZ-VOAKCMCISA-N 0 3 247.342 1.407 1 30 BDEFHN CN(/N=C/c1c[nH]c2ccc(O)cc12)C(=N)N ZINC000013741843 172291474 /nfs/dbraw/zinc/29/14/74/172291474.db2.gz HGXVYQOPHUPTBX-GIDUJCDVSA-N 0 3 231.259 1.033 1 30 BDEFHN C[C@H]1CCc2ccccc2C1=NNC(=N)N ZINC000101192099 177209977 /nfs/dbraw/zinc/20/99/77/177209977.db2.gz DZRRZZJXFFZTBW-XCWPYAQASA-N 0 3 216.288 1.246 1 30 BDEFHN C=CC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N ZINC000013648731 188106213 /nfs/dbraw/zinc/10/62/13/188106213.db2.gz GSCSWPJNZSKJNO-VPOLOUISSA-N 0 3 233.315 1.039 1 30 BDEFHN NCCO/N=C1/c2cccn2-c2ccccc21 ZINC000027521757 181398672 /nfs/dbraw/zinc/39/86/72/181398672.db2.gz DNJXPDYLZIVHDP-FYWRMAATSA-N 0 3 227.267 1.518 1 30 BDEFHN C(#CCN1CCCCC1)COC1=NOCC1 ZINC000028872718 166225284 /nfs/dbraw/zinc/22/52/84/166225284.db2.gz WBNRFJKOFKXCFQ-UHFFFAOYSA-N 0 3 222.288 1.226 1 30 BDEFHN CN1CCC(OC(=O)c2ccccc2C#N)CC1 ZINC000029311954 188110206 /nfs/dbraw/zinc/11/02/06/188110206.db2.gz XMPOVPHYOASHHH-UHFFFAOYSA-N 0 3 244.294 1.809 1 30 BDEFHN CCCCc1ccc(C=NNC(=N)N)cc1 ZINC000095598664 169019047 /nfs/dbraw/zinc/01/90/47/169019047.db2.gz DRXWBNQRNITDHK-OQLLNIDSSA-N 0 3 218.304 1.846 1 30 BDEFHN C=CCN1CCN2C[C@@H]1Cc1ccc(N)cc12 ZINC000027846450 132267382 /nfs/dbraw/zinc/26/73/82/132267382.db2.gz BQODMLOJIJEJTH-ZDUSSCGKSA-N 0 3 229.327 1.502 1 30 BDEFHN C=CC(C)(C)[C@@H](N)C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N ZINC000028469434 188283739 /nfs/dbraw/zinc/28/37/39/188283739.db2.gz GSCSWPJNZSKJNO-ZNSHCXBVSA-N 0 3 233.315 1.039 1 30 BDEFHN N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1CCCCC1 ZINC000026577930 181061725 /nfs/dbraw/zinc/06/17/25/181061725.db2.gz AUZKIXDVTSZLDZ-MROQNXINSA-N 0 3 247.342 1.407 1 30 BDEFHN [O-]/N=C/c1ccc[n+](Cc2ccco2)c1 ZINC000045302890 181826685 /nfs/dbraw/zinc/82/66/85/181826685.db2.gz INLAQIROCYYSGF-KPKJPENVSA-O 0 3 203.221 1.424 1 30 BDEFHN C#C[C@@]1(O)C[C@@H](c2ccccc2)N(C)C[C@@]1(C)O ZINC000004468815 166214114 /nfs/dbraw/zinc/21/41/14/166214114.db2.gz CCFDMNFFOBENMZ-RRFJBIMHSA-N 0 3 245.322 1.179 2 30 BDEFHN NCSCC[C@H](S)CCCCC(N)=O ZINC000012496817 571696099 /nfs/dbraw/zinc/69/60/99/571696099.db2.gz KALYVIJGKPJBQV-MRVPVSSYSA-N 0 3 236.406 1.370 1 30 endogenous,in-man BDEFHN C(#Cc1ccccc1)CO/N=C1\CN=CNC1 ZINC000028242982 166225613 /nfs/dbraw/zinc/22/56/13/166225613.db2.gz FUNMGGAELKEYAB-UHFFFAOYSA-N 0 3 227.267 1.042 1 30 BDEFHN N#C[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 ZINC000035931844 181059007 /nfs/dbraw/zinc/05/90/07/181059007.db2.gz SXNUNNAPZNTPQV-NWDGAFQWSA-N 0 3 235.331 1.409 1 30 BDEFHN N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1CCCC1 ZINC000026576888 181061821 /nfs/dbraw/zinc/06/18/21/181061821.db2.gz YXAYKXKMMGMPEY-NOOOWODRSA-N 0 3 233.315 1.017 1 30 BDEFHN N#CC(C(=O)Nc1ccncc1)C(=O)C1CC1 ZINC000000018830 181062431 /nfs/dbraw/zinc/06/24/31/181062431.db2.gz NDRKRVMCYBMMIG-JTQLQIEISA-N 0 3 229.239 1.139 1 30 BDEFHN N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 ZINC000026728478 181086357 /nfs/dbraw/zinc/08/63/57/181086357.db2.gz BRSYXCLITOMVBD-NTCAYCPXSA-N 0 3 246.270 1.144 1 30 BDEFHN CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N ZINC000013648745 168303997 /nfs/dbraw/zinc/30/39/97/168303997.db2.gz APAZYVZBHAXPLE-VPOLOUISSA-N 0 3 235.331 1.263 1 30 BDEFHN N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](N)C1CCCC1 ZINC000026576887 181070827 /nfs/dbraw/zinc/07/08/27/181070827.db2.gz YXAYKXKMMGMPEY-WISYIIOYSA-N 0 3 233.315 1.017 1 30 BDEFHN CC[NH2+]CC(=O)N([O-])c1c(C)cccc1C ZINC000005852934 170109862 /nfs/dbraw/zinc/10/98/62/170109862.db2.gz VSTJVDRXFOQUHB-UHFFFAOYSA-N 0 3 222.288 1.635 1 30 BDEFHN Cc1ccc(-[n+]2cc(C=N[O-])n(C)c2)cc1 ZINC000029253473 178346364 /nfs/dbraw/zinc/34/63/64/178346364.db2.gz OTPDUGMCLGBITD-NTUHNPAUSA-O 0 3 216.264 1.418 1 30 BDEFHN C=CCn1c2ccccc2nc1N1CCNCC1 ZINC000026247891 188233506 /nfs/dbraw/zinc/23/35/06/188233506.db2.gz DTBALPGNCWCVJP-UHFFFAOYSA-N 0 3 242.326 1.632 1 30 BDEFHN CC1([C@@H](N)C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCCC1 ZINC000026576933 168071955 /nfs/dbraw/zinc/07/19/55/168071955.db2.gz ILKDJTUPKUDSIV-WYUUTHIRSA-N 0 3 247.342 1.407 1 30 BDEFHN C[C@@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 ZINC000036310855 176194682 /nfs/dbraw/zinc/19/46/82/176194682.db2.gz MRERLGSGIBCVRW-USWWRNFRSA-N 0 3 235.331 1.407 1 30 BDEFHN C=CC1([C@H](N)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1 ZINC000013648735 188280173 /nfs/dbraw/zinc/28/01/73/188280173.db2.gz DVSHKRPWQKYTCX-NOOOWODRSA-N 0 3 245.326 1.183 1 30 BDEFHN CN1CCC(OC(=O)c2cccc(C#N)c2)CC1 ZINC000029315833 188283786 /nfs/dbraw/zinc/28/37/86/188283786.db2.gz WJPOVMCSOZQPRJ-UHFFFAOYSA-N 0 3 244.294 1.809 1 30 BDEFHN N#CC(C(=O)C(N)=O)c1ccccc1Cl ZINC000006513961 181062453 /nfs/dbraw/zinc/06/24/53/181062453.db2.gz YDWCLBRLSIFGGA-ZETCQYMHSA-N 0 3 222.631 1.002 1 30 BDEFHN COc1cccc2c1CCCC2=NNC(=N)N ZINC000101193024 175301309 /nfs/dbraw/zinc/30/13/09/175301309.db2.gz CWTBQMUSTWSRPA-XNTDXEJSSA-N 0 3 232.287 1.009 1 30 BDEFHN CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N ZINC000028462521 168304319 /nfs/dbraw/zinc/30/43/19/168304319.db2.gz APAZYVZBHAXPLE-CHWFTXMASA-N 0 3 235.331 1.263 1 30 BDEFHN C=CC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N ZINC000028469438 188283892 /nfs/dbraw/zinc/28/38/92/188283892.db2.gz GSCSWPJNZSKJNO-CHWFTXMASA-N 0 3 233.315 1.039 1 30 BDEFHN N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCCC1 ZINC000013560892 181061759 /nfs/dbraw/zinc/06/17/59/181061759.db2.gz YXAYKXKMMGMPEY-RHYQMDGZSA-N 0 3 233.315 1.017 1 30 BDEFHN Oc1ccc(C#C[C@@]2(O)CN3CCC2CC3)cc1 ZINC000040977490 183266830 /nfs/dbraw/zinc/26/68/30/183266830.db2.gz KIQSHQOQPFUQOO-OAHLLOKOSA-N 0 3 243.306 1.200 1 30 BDEFHN CCOC(=O)N(C)[C@@H](C)C#CCN1CCCC1 ZINC000013823341 170237885 /nfs/dbraw/zinc/23/78/85/170237885.db2.gz IXYXTXXZOXRCQY-LBPRGKRZSA-N 0 3 238.331 1.562 1 30 BDEFHN N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1 ZINC000013473901 181058786 /nfs/dbraw/zinc/05/87/86/181058786.db2.gz SXNUNNAPZNTPQV-RYUDHWBXSA-N 0 3 235.331 1.409 1 30 in-vivo BDEFHN CO/N=C/[C@@H](C)CC#CCN1CCCC1 ZINC000027875623 173492120 /nfs/dbraw/zinc/49/21/20/173492120.db2.gz KADNFWFERWWRPI-OWRWYXLESA-N 0 3 208.305 1.744 1 30 BDEFHN COc1cccc2c1CCCC2=NNC(=N)N ZINC000029224536 175301251 /nfs/dbraw/zinc/30/12/51/175301251.db2.gz CWTBQMUSTWSRPA-GDNBJRDFSA-N 0 3 232.287 1.009 1 30 BDEFHN CCC(C)(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N ZINC000169360003 168304047 /nfs/dbraw/zinc/30/40/47/168304047.db2.gz APAZYVZBHAXPLE-LNFKQOIKSA-N 0 3 235.331 1.263 1 30 BDEFHN CC[C@@H](C)[C@H](N)C(=O)N1CSCC[C@@H]1C#N ZINC000026664560 170794106 /nfs/dbraw/zinc/79/41/06/170794106.db2.gz NMZWRTSAOXUWBU-BBBLOLIVSA-N 0 3 241.360 1.175 1 30 BDEFHN C#C[C@@]1(O)C[C@@H](c2ccccc2)N(C)C[C@]1(C)O ZINC000004468812 166213444 /nfs/dbraw/zinc/21/34/44/166213444.db2.gz CCFDMNFFOBENMZ-SOUVJXGZSA-N 0 3 245.322 1.179 2 30 BDEFHN COc1ccc(-[n+]2cc(C=N[O-])n(C)c2)cc1 ZINC000029309522 175043891 /nfs/dbraw/zinc/04/38/91/175043891.db2.gz GOTLMMYMXWIIJP-NTUHNPAUSA-O 0 3 232.263 1.119 1 30 BDEFHN N#C[C@@H]1CC=NN1C(=O)CNC1CCCCC1 ZINC000028377038 181059128 /nfs/dbraw/zinc/05/91/28/181059128.db2.gz UKNOPRISSXWHAU-NSHDSACASA-N 0 3 234.303 1.019 1 30 BDEFHN Oc1ccc(C#C[C@]2(O)CN3CCC2CC3)cc1 ZINC000040977488 183267430 /nfs/dbraw/zinc/26/74/30/183267430.db2.gz KIQSHQOQPFUQOO-HNNXBMFYSA-N 0 3 243.306 1.200 1 30 BDEFHN CCC(C)(C)[C@@H](N)C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N ZINC000028462517 168303897 /nfs/dbraw/zinc/30/38/97/168303897.db2.gz APAZYVZBHAXPLE-ZNSHCXBVSA-N 0 3 235.331 1.263 1 30 BDEFHN CC1([C@H](N)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1 ZINC000013560894 581092256 /nfs/dbraw/zinc/09/22/56/581092256.db2.gz NBDXZVDMVHEUKD-VPOLOUISSA-N 0 3 233.315 1.017 1 30 BDEFHN C(#Cc1cccnc1)CCN1CCCC1 ZINC000013589045 166226285 /nfs/dbraw/zinc/22/62/85/166226285.db2.gz DJTLMEINQSXGMN-UHFFFAOYSA-N 0 3 200.285 1.919 1 30 BDEFHN CN(C)C(=O)c1cccc([C@H](N)CS)c1 ZINC000027090889 172392405 /nfs/dbraw/zinc/39/24/05/172392405.db2.gz HMJGOOGWOLAOJW-SNVBAGLBSA-N 0 3 224.329 1.318 1 30 BDEFHN Cc1cc(OCC#CCN2CCCC2)no1 ZINC000028872545 178207734 /nfs/dbraw/zinc/20/77/34/178207734.db2.gz PZXCPJHNCXGCGK-UHFFFAOYSA-N 0 3 220.272 1.461 1 30 BDEFHN CCC(C)(C)NC(=NCCCN(C)C)NC#N ZINC000033855216 168259996 /nfs/dbraw/zinc/25/99/96/168259996.db2.gz RWTYCVWZPAKQAJ-UHFFFAOYSA-N 0 3 239.367 1.143 1 30 BDEFHN CN(C)C(=O)c1cccc([C@@H](N)CS)c1 ZINC000027090882 172392660 /nfs/dbraw/zinc/39/26/60/172392660.db2.gz HMJGOOGWOLAOJW-JTQLQIEISA-N 0 3 224.329 1.318 1 30 BDEFHN C[C@@H]1CCc2ccccc2C1=NNC(=N)N ZINC000029224520 176240390 /nfs/dbraw/zinc/24/03/90/176240390.db2.gz DZRRZZJXFFZTBW-ACKYCBKBSA-N 0 3 216.288 1.246 1 30 BDEFHN