smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C=O)(CC)C[N@@H+](C)CC1CCOCC1 ZINC000104188327 168311192 /nfs/dbraw/zinc/31/11/92/168311192.db2.gz XULBEOVKQKEPTD-UHFFFAOYSA-N 1 1 241.375 2.350 10 30 BEEEMO Cc1cc(C[NH2+]CCC#N)cc(C)c1O ZINC000020305565 178020041 /nfs/dbraw/zinc/02/00/41/178020041.db2.gz ZYTMVIFBMYDFDQ-UHFFFAOYSA-N 1 1 204.273 2.012 10 30 BEEEMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c(C#N)c(C)n1 ZINC000160542768 178166672 /nfs/dbraw/zinc/16/66/72/178166672.db2.gz GZYCIGCWRAPYEN-LBPRGKRZSA-N 1 1 244.342 2.076 10 30 BEEEMO C=CC[N@@H+]1CC[C@@H](c2ccc(N)cc2)C1 ZINC000116481985 342927534 /nfs/dbraw/zinc/92/75/34/342927534.db2.gz IVPGTVRXDACOMU-GFCCVEGCSA-N 1 1 202.301 2.244 10 30 BEEEMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000042250757 398331045 /nfs/dbraw/zinc/33/10/45/398331045.db2.gz ZUDSRMUNFQBTJK-CYBMUJFWSA-N 1 1 248.301 2.308 10 30 BEEEMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000042250757 398331047 /nfs/dbraw/zinc/33/10/47/398331047.db2.gz ZUDSRMUNFQBTJK-CYBMUJFWSA-N 1 1 248.301 2.308 10 30 BEEEMO C=CC[C@@H]1C[N@H+](C)C[C@@]1(O)c1ccccc1 ZINC000033639005 187208144 /nfs/dbraw/zinc/20/81/44/187208144.db2.gz YMSTWDUALQERSI-ZIAGYGMSSA-N 1 1 217.312 2.012 10 30 BEEEMO N#CC[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100117 343274316 /nfs/dbraw/zinc/27/43/16/343274316.db2.gz BDHOXPGLPRNJQM-GXTWGEPZSA-N 1 1 236.359 2.306 10 30 BEEEMO N#CC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100117 343274318 /nfs/dbraw/zinc/27/43/18/343274318.db2.gz BDHOXPGLPRNJQM-GXTWGEPZSA-N 1 1 236.359 2.306 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251075050 343534328 /nfs/dbraw/zinc/53/43/28/343534328.db2.gz GHFIOECOCUJDQX-XQLPTFJDSA-N 1 1 247.386 2.285 10 30 BEEEMO O/N=C(/CN(O)/C=C1/C=CC=[NH+]1)c1cccs1 ZINC000061870321 343730099 /nfs/dbraw/zinc/73/00/99/343730099.db2.gz LHPDDXMKUKIHBH-HTKHYCTGSA-N 1 1 249.295 2.100 10 30 BEEEMO CC(C)[N@@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049616537 187357302 /nfs/dbraw/zinc/35/73/02/187357302.db2.gz BNGHHSRFHKDIHU-UHFFFAOYSA-N 1 1 231.339 2.261 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1ccc(Br)cc1F ZINC000166109957 344530456 /nfs/dbraw/zinc/53/04/56/344530456.db2.gz LICYIBIWSRHGMR-SNVBAGLBSA-N 1 1 242.091 2.482 10 30 BEEEMO CC#CCC[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000155401186 187296350 /nfs/dbraw/zinc/29/63/50/187296350.db2.gz CEPMOYJBDMIBQZ-ZDUSSCGKSA-N 1 1 247.342 2.046 10 30 BEEEMO CC#CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000155121062 345068229 /nfs/dbraw/zinc/06/82/29/345068229.db2.gz BVPDOTGSVMNYON-QWHCGFSZSA-N 1 1 207.317 2.043 10 30 BEEEMO C=C[C@@H]([NH3+])c1occc1Br ZINC000238578354 345081081 /nfs/dbraw/zinc/08/10/81/345081081.db2.gz WNALCSHIGUIGGD-ZCFIWIBFSA-N 1 1 202.051 2.228 10 30 BEEEMO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000135529253 345444154 /nfs/dbraw/zinc/44/41/54/345444154.db2.gz VWSHZDMYHFJGGD-CABZTGNLSA-N 1 1 231.324 2.402 10 30 BEEEMO C#CC[C@H]([NH3+])C(=O)c1cc(F)ccc1Cl ZINC000164565188 345782446 /nfs/dbraw/zinc/78/24/46/345782446.db2.gz FNSXSQCOBZYKRZ-JTQLQIEISA-N 1 1 225.650 2.012 10 30 BEEEMO C#CC[NH2+]Cc1nc2ccccc2n1CCC ZINC000038046546 187318141 /nfs/dbraw/zinc/31/81/41/187318141.db2.gz SDBOCVQFLIQJEM-UHFFFAOYSA-N 1 1 227.311 2.169 10 30 BEEEMO C[C@H]1c2ccsc2CC[N@@H+]1CCC=O ZINC000062540736 346269630 /nfs/dbraw/zinc/26/96/30/346269630.db2.gz FXQIPSXZGQZRGN-VIFPVBQESA-N 1 1 209.314 2.256 10 30 BEEEMO Cc1cn2c(nc(C)c2C[NH2+]C[C@@H](C)C#N)s1 ZINC000054180776 1172092035 /nfs/dbraw/zinc/09/20/35/1172092035.db2.gz GBLDNYPSJCASTD-QMMMGPOBSA-N 1 1 248.355 2.262 10 30 BEEEMO Cc1ccccc1C[N@@H+](C)CCCC/C(N)=N\O ZINC000049580243 179270329 /nfs/dbraw/zinc/27/03/29/179270329.db2.gz ZESKPNJWZMAMJW-UHFFFAOYSA-N 1 1 249.358 2.344 10 30 BEEEMO N#C[C@H]1CCCC[C@@H]1[NH+]1CCSCC1 ZINC000037146698 348023540 /nfs/dbraw/zinc/02/35/40/348023540.db2.gz PYMIGPRWIUXLFW-MNOVXSKESA-N 1 1 210.346 2.118 10 30 BEEEMO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1C#N ZINC000595695612 348306345 /nfs/dbraw/zinc/30/63/45/348306345.db2.gz WZUIZFFQEHNENI-MGPQQGTHSA-N 1 1 235.375 2.143 10 30 BEEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000597195589 348672104 /nfs/dbraw/zinc/67/21/04/348672104.db2.gz KQRVBHYKIHGQJQ-YPMHNXCESA-N 1 1 244.342 2.001 10 30 BEEEMO Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)cc1C#N ZINC000599299931 349141052 /nfs/dbraw/zinc/14/10/52/349141052.db2.gz QFAOSOSMNKTFBA-CYBMUJFWSA-N 1 1 244.338 2.071 10 30 BEEEMO C#CC[C@H](NC(=O)OC(C)(C)C)C(=[NH2+])SC ZINC000218458062 350094449 /nfs/dbraw/zinc/09/44/49/350094449.db2.gz WFHHGPGEJURKOT-QMMMGPOBSA-N 1 1 242.344 2.243 10 30 BEEEMO CC[N@@H+]1CCOCC[C@H]1c1ccccc1C#N ZINC000616597807 350653608 /nfs/dbraw/zinc/65/36/08/350653608.db2.gz KZZXGFXQTNUVFG-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[N@H+]1CCOCC[C@H]1c1ccccc1C#N ZINC000616597807 350653612 /nfs/dbraw/zinc/65/36/12/350653612.db2.gz KZZXGFXQTNUVFG-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO C#CC[NH2+]Cc1ccsc1Br ZINC000306733171 350903141 /nfs/dbraw/zinc/90/31/41/350903141.db2.gz MVTDVQDXVSNLGR-UHFFFAOYSA-N 1 1 230.130 2.233 10 30 BEEEMO N#Cc1cccc([C@@H]2CCCCC[N@@H+]2CCO)c1 ZINC000616625363 351093946 /nfs/dbraw/zinc/09/39/46/351093946.db2.gz MLCKUPSZDSGMTL-HNNXBMFYSA-N 1 1 244.338 2.468 10 30 BEEEMO CC[N@@H+]1CCCOC[C@H]1c1ccccc1C#N ZINC000616649660 351179671 /nfs/dbraw/zinc/17/96/71/351179671.db2.gz PXIRHMHVMDNDCL-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[N@H+]1CCCOC[C@H]1c1ccccc1C#N ZINC000616649660 351179675 /nfs/dbraw/zinc/17/96/75/351179675.db2.gz PXIRHMHVMDNDCL-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO N#Cc1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616656199 351202169 /nfs/dbraw/zinc/20/21/69/351202169.db2.gz UADIWMCAERGEDK-OAHLLOKOSA-N 1 1 244.338 2.120 10 30 BEEEMO CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846868 188281728 /nfs/dbraw/zinc/28/17/28/188281728.db2.gz ZIMUHFRWJWTFFR-LLVKDONJSA-N 1 1 245.326 2.225 10 30 BEEEMO Cc1ccc(C)c(C[N@H+](C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458361 188293788 /nfs/dbraw/zinc/29/37/88/188293788.db2.gz MAKGJMXSTLDGAU-LBPRGKRZSA-N 1 1 249.358 2.118 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1cc(Br)ccc1F ZINC000165329253 353305522 /nfs/dbraw/zinc/30/55/22/353305522.db2.gz KHFJOWGJBYDYTK-SNVBAGLBSA-N 1 1 242.091 2.482 10 30 BEEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094446042 353513460 /nfs/dbraw/zinc/51/34/60/353513460.db2.gz ZLWFFQIGVYOLMX-UONOGXRCSA-N 1 1 249.402 2.485 10 30 BEEEMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(C)(C)C#N ZINC000094446042 353513461 /nfs/dbraw/zinc/51/34/61/353513461.db2.gz ZLWFFQIGVYOLMX-UONOGXRCSA-N 1 1 249.402 2.485 10 30 BEEEMO N#CC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000071304878 181044874 /nfs/dbraw/zinc/04/48/74/181044874.db2.gz UDMFOCPUYMWTGV-ZIAGYGMSSA-N 1 1 230.311 2.002 10 30 BEEEMO N#CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000071532014 181044918 /nfs/dbraw/zinc/04/49/18/181044918.db2.gz USZBSIPPVCXNKC-SECBINFHSA-N 1 1 225.089 2.363 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000054822944 181068901 /nfs/dbraw/zinc/06/89/01/181068901.db2.gz PXMWIHRTUGGXMC-OLZOCXBDSA-N 1 1 200.285 2.468 10 30 BEEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000054824565 181069294 /nfs/dbraw/zinc/06/92/94/181069294.db2.gz UBUNBPFPYPZZPQ-CHWSQXEVSA-N 1 1 215.300 2.254 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000061891480 181069861 /nfs/dbraw/zinc/06/98/61/181069861.db2.gz PKEXJUSDNYQTCR-DGCLKSJQSA-N 1 1 216.284 2.174 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+][C@H](CO)c1ccccc1 ZINC000063002154 181070010 /nfs/dbraw/zinc/07/00/10/181070010.db2.gz IPTYXMLZACANIQ-MGPQQGTHSA-N 1 1 230.311 2.002 10 30 BEEEMO N#Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000061983942 181092001 /nfs/dbraw/zinc/09/20/01/181092001.db2.gz POOAPPSETBZGGP-GFCCVEGCSA-N 1 1 245.301 2.346 10 30 BEEEMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]23)c(F)c1 ZINC000049569074 181125236 /nfs/dbraw/zinc/12/52/36/181125236.db2.gz HUVQIUXSVMUCFS-ZIAGYGMSSA-N 1 1 245.301 2.346 10 30 BEEEMO C#C[C@H]([NH2+]C)c1sccc1Br ZINC000130044231 357162026 /nfs/dbraw/zinc/16/20/26/357162026.db2.gz ZUAPXUXSZGEJCI-ZETCQYMHSA-N 1 1 230.130 2.404 10 30 BEEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052759565 358229842 /nfs/dbraw/zinc/22/98/42/358229842.db2.gz YVDJVHFRDOOZQT-OAHLLOKOSA-N 1 1 244.338 2.295 10 30 BEEEMO C#CC[N@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000584651836 358307136 /nfs/dbraw/zinc/30/71/36/358307136.db2.gz YJZFLGJYWKBUNG-CQSZACIVSA-N 1 1 228.339 2.139 10 30 BEEEMO C=CC[N@@H+]1CCC2(C1)C[C@H](C)O[C@@H](C)C2 ZINC000584640913 358327232 /nfs/dbraw/zinc/32/72/32/358327232.db2.gz QZZBKYVXZJMYTO-RYUDHWBXSA-N 1 1 209.333 2.452 10 30 BEEEMO N#Cc1ccc(C[NH2+]Cc2ccccn2)s1 ZINC000135494381 358840839 /nfs/dbraw/zinc/84/08/39/358840839.db2.gz YRKZXOLENMTBCY-UHFFFAOYSA-N 1 1 229.308 2.305 10 30 BEEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000054823503 358876354 /nfs/dbraw/zinc/87/63/54/358876354.db2.gz NHSICOLCZGCFLE-GXTWGEPZSA-N 1 1 230.311 2.477 10 30 BEEEMO C=CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246996468 359181432 /nfs/dbraw/zinc/18/14/32/359181432.db2.gz PSFOZDGVPUNSSQ-OLZOCXBDSA-N 1 1 236.359 2.038 10 30 BEEEMO C#C[C@H]([NH2+]C)c1ccc(F)cc1Br ZINC000130309380 359339868 /nfs/dbraw/zinc/33/98/68/359339868.db2.gz CNEONIQUMUZIBJ-JTQLQIEISA-N 1 1 242.091 2.482 10 30 BEEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000612586174 359899396 /nfs/dbraw/zinc/89/93/96/359899396.db2.gz OZZSOCCHSMBACU-JQWIXIFHSA-N 1 1 240.310 2.345 10 30 BEEEMO CC(C)(CCC#N)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000092616268 360184894 /nfs/dbraw/zinc/18/48/94/360184894.db2.gz JHNREXGXKWCRPS-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO CC(C)(CCC#N)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616268 360184899 /nfs/dbraw/zinc/18/48/99/360184899.db2.gz JHNREXGXKWCRPS-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO CC(C)(CCC#N)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092616268 360184901 /nfs/dbraw/zinc/18/49/01/360184901.db2.gz JHNREXGXKWCRPS-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097793 360218969 /nfs/dbraw/zinc/21/89/69/360218969.db2.gz KIWUMJSOJMATSM-ZIAGYGMSSA-N 1 1 249.402 2.485 10 30 BEEEMO CC(C)(C#N)CCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093952614 360292488 /nfs/dbraw/zinc/29/24/88/360292488.db2.gz BESMCDTZUNCORY-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO CC(C)(C#N)CCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000093952614 360292494 /nfs/dbraw/zinc/29/24/94/360292494.db2.gz BESMCDTZUNCORY-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO CC(C)(C#N)CCC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000093952614 360292498 /nfs/dbraw/zinc/29/24/98/360292498.db2.gz BESMCDTZUNCORY-CQSZACIVSA-N 1 1 249.402 2.486 10 30 BEEEMO C=C(CS)C[N@@H+]1CCSCC[C@H]1C ZINC000306625606 361284969 /nfs/dbraw/zinc/28/49/69/361284969.db2.gz HAEGMIHYYIFGEJ-SNVBAGLBSA-N 1 1 217.403 2.300 10 30 BEEEMO C=CCCC[N@H+](C)Cc1ncccc1C(=O)OC ZINC000382530546 367533202 /nfs/dbraw/zinc/53/32/02/367533202.db2.gz KJXGVARRGSYMTD-UHFFFAOYSA-N 1 1 248.326 2.266 10 30 BEEEMO C[N@@H+](CC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000110897397 369999014 /nfs/dbraw/zinc/99/90/14/369999014.db2.gz YZEYGNBLTSZXKJ-CHWSQXEVSA-N 1 1 222.332 2.037 10 30 BEEEMO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)ccn1 ZINC000391206441 371277789 /nfs/dbraw/zinc/27/77/89/371277789.db2.gz NNMLXVITBIWLIL-OLZOCXBDSA-N 1 1 215.300 2.172 10 30 BEEEMO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)ccn1 ZINC000391206444 371278057 /nfs/dbraw/zinc/27/80/57/371278057.db2.gz NNMLXVITBIWLIL-QWHCGFSZSA-N 1 1 215.300 2.172 10 30 BEEEMO C#CC[C@H]([NH3+])C(=O)c1cc(C)ccc1Cl ZINC000306165899 371995465 /nfs/dbraw/zinc/99/54/65/371995465.db2.gz IOZOTLLNSAELAN-NSHDSACASA-N 1 1 221.687 2.182 10 30 BEEEMO CCC[N@@H+](CC)CCNc1cc(C#N)cc(C)n1 ZINC000218038890 372050650 /nfs/dbraw/zinc/05/06/50/372050650.db2.gz TZWOIWFDAXVKSF-UHFFFAOYSA-N 1 1 246.358 2.406 10 30 BEEEMO CCC[N@@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617738 169081295 /nfs/dbraw/zinc/08/12/95/169081295.db2.gz OUMIPUGQDSROKN-UHFFFAOYSA-N 1 1 235.302 2.011 10 30 BEEEMO CCC[N@@H+](Cc1ccc(C#CCO)cc1)C1CC1 ZINC000049617689 169176161 /nfs/dbraw/zinc/17/61/61/169176161.db2.gz NYBUZFOVLLSRMM-UHFFFAOYSA-N 1 1 243.350 2.405 10 30 BEEEMO C#CC[NH2+]Cc1cccc(F)c1Br ZINC000156667139 384270810 /nfs/dbraw/zinc/27/08/10/384270810.db2.gz PYOMYPHRSZDZBB-UHFFFAOYSA-N 1 1 242.091 2.311 10 30 BEEEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000119682289 384942794 /nfs/dbraw/zinc/94/27/94/384942794.db2.gz YNFLPRYJTUZAEI-PHIMTYICSA-N 1 1 210.321 2.035 10 30 BEEEMO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309074929 385405651 /nfs/dbraw/zinc/40/56/51/385405651.db2.gz JAMPZQBJPJYEAR-ZYHUDNBSSA-N 1 1 204.273 2.370 10 30 BEEEMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000364851935 385529422 /nfs/dbraw/zinc/52/94/22/385529422.db2.gz PPWWLEPWRQKNJS-GFCCVEGCSA-N 1 1 224.348 2.021 10 30 BEEEMO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@@]1(C)CN ZINC000335058554 385959624 /nfs/dbraw/zinc/95/96/24/385959624.db2.gz UVPJWBDRUTVMPJ-XSCHDIRWSA-N 1 1 249.402 2.376 10 30 BEEEMO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@@]1(C)CN ZINC000335058554 385959628 /nfs/dbraw/zinc/95/96/28/385959628.db2.gz UVPJWBDRUTVMPJ-XSCHDIRWSA-N 1 1 249.402 2.376 10 30 BEEEMO CCCC[N@H+](CC#Cc1ccccc1)CCO ZINC000051814905 386869290 /nfs/dbraw/zinc/86/92/90/386869290.db2.gz ZEZQXYGQYPSZQB-UHFFFAOYSA-N 1 1 231.339 2.133 10 30 BEEEMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398794550 386993154 /nfs/dbraw/zinc/99/31/54/386993154.db2.gz QXKQAMGAONCOKO-RWMBFGLXSA-N 1 1 209.333 2.045 10 30 BEEEMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398794552 386993626 /nfs/dbraw/zinc/99/36/26/386993626.db2.gz QXKQAMGAONCOKO-XQQFMLRXSA-N 1 1 209.333 2.045 10 30 BEEEMO C=CC[N@@H+]1CC[C@@]2(C1)C[C@@H](C)O[C@@H](C)C2 ZINC000584640912 387507097 /nfs/dbraw/zinc/50/70/97/387507097.db2.gz QZZBKYVXZJMYTO-CLLJXQQHSA-N 1 1 209.333 2.452 10 30 BEEEMO C=C(C)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503552 387828311 /nfs/dbraw/zinc/82/83/11/387828311.db2.gz SJVLEYCKJZDZPF-LBPRGKRZSA-N 1 1 235.331 2.209 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/nfs/dbraw/zinc/22/02/79/135220279.db2.gz VSHQRGSPLJUKNW-UHFFFAOYSA-N 1 1 235.302 2.032 10 30 BEEEMO C[C@@H]1C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000401504294 533672942 /nfs/dbraw/zinc/67/29/42/533672942.db2.gz QUCOSFSIRLTVOK-VXGBXAGGSA-N 1 1 224.348 2.019 10 30 BEEEMO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cn1 ZINC000061892480 398107877 /nfs/dbraw/zinc/10/78/77/398107877.db2.gz PGXJLUZJNQBJDA-QWHCGFSZSA-N 1 1 246.358 2.420 10 30 BEEEMO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cn1 ZINC000061892479 398108238 /nfs/dbraw/zinc/10/82/38/398108238.db2.gz PGXJLUZJNQBJDA-OLZOCXBDSA-N 1 1 246.358 2.420 10 30 BEEEMO CC(C)N[C@](C)(C#N)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000050567074 167141534 /nfs/dbraw/zinc/14/15/34/167141534.db2.gz HMOUBQDEHZOOLI-MGPQQGTHSA-N 1 1 237.391 2.387 10 30 BEEEMO CC(C)N[C@](C)(C#N)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000050567074 167141536 /nfs/dbraw/zinc/14/15/36/167141536.db2.gz HMOUBQDEHZOOLI-MGPQQGTHSA-N 1 1 237.391 2.387 10 30 BEEEMO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1F ZINC000335284122 410330104 /nfs/dbraw/zinc/33/01/04/410330104.db2.gz COALGNNEGCBXGU-TZMCWYRMSA-N 1 1 243.285 2.479 10 30 BEEEMO C#CCn1c[nH+]c(-c2cc(F)ccc2F)c1N ZINC000103500537 166207576 /nfs/dbraw/zinc/20/75/76/166207576.db2.gz DCZUEUWKHPSTLE-UHFFFAOYSA-N 1 1 233.221 2.044 10 30 BEEEMO C=CC[NH2+]CC(=O)c1ccc(OCCC)cc1 ZINC000041613221 166398603 /nfs/dbraw/zinc/39/86/03/166398603.db2.gz LNLLADHHJAOVHH-UHFFFAOYSA-N 1 1 233.311 2.434 10 30 BEEEMO CC(C)N[C@@H](C#N)CC[NH+]1Cc2ccccc2C1 ZINC000062438816 167130941 /nfs/dbraw/zinc/13/09/41/167130941.db2.gz UOEIJLHNTMQICD-OAHLLOKOSA-N 1 1 243.354 2.282 10 30 BEEEMO CC(C)N[C@H](C#N)CC[N@@H+](CC1CC1)C(C)C ZINC000062437764 167136666 /nfs/dbraw/zinc/13/66/66/167136666.db2.gz DMNYFIBMJNEESM-AWEZNQCLSA-N 1 1 237.391 2.387 10 30 BEEEMO CCN[C@@](C)(C#N)CC[NH+]1Cc2ccccc2C1 ZINC000050912114 170154853 /nfs/dbraw/zinc/15/48/53/170154853.db2.gz UUPUDJNOYNXEPY-OAHLLOKOSA-N 1 1 243.354 2.284 10 30 BEEEMO CC[C@H](C)[N@@H+](CCCCC#N)CCOC ZINC000042582731 171313555 /nfs/dbraw/zinc/31/35/55/171313555.db2.gz RZYCHIASIGEUAM-LBPRGKRZSA-N 1 1 212.337 2.427 10 30 BEEEMO C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000665230834 412167715 /nfs/dbraw/zinc/16/77/15/412167715.db2.gz WPVRSLMGYPPBIL-JHJVBQTASA-N 1 1 208.349 2.073 10 30 BEEEMO C[N@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000075906578 173023573 /nfs/dbraw/zinc/02/35/73/173023573.db2.gz ABLLEDDJDSKRLM-GFCCVEGCSA-N 1 1 200.285 2.367 10 30 BEEEMO C[NH+]1CCN([C@@H](C#N)c2ccccc2Cl)CC1 ZINC000019934378 173091592 /nfs/dbraw/zinc/09/15/92/173091592.db2.gz PENJLKUDNDGRQP-ZDUSSCGKSA-N 1 1 249.745 2.152 10 30 BEEEMO COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054823109 175330718 /nfs/dbraw/zinc/33/07/18/175330718.db2.gz ZNZNMNSIUVTZTK-WCQYABFASA-N 1 1 230.311 2.477 10 30 BEEEMO C[C@H](C#N)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626988 176553604 /nfs/dbraw/zinc/55/36/04/176553604.db2.gz MLPOJQPVAPKKHE-SECBINFHSA-N 1 1 220.341 2.486 10 30 BEEEMO C[C@H]1CCC[N@@H+](Cc2cccc(/C(N)=N/O)c2)C1 ZINC000019425661 177100967 /nfs/dbraw/zinc/10/09/67/177100967.db2.gz ULLZXVUKQREHSV-NSHDSACASA-N 1 1 247.342 2.013 10 30 BEEEMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000121084621 534707156 /nfs/dbraw/zinc/70/71/56/534707156.db2.gz SHSVZKYWFMUSMH-GFCCVEGCSA-N 1 1 226.364 2.045 10 30 BEEEMO C=CCCC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000121091679 534707494 /nfs/dbraw/zinc/70/74/94/534707494.db2.gz FXCXMDWEMCFMLD-UHFFFAOYSA-N 1 1 240.391 2.437 10 30 BEEEMO C=CCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000308785257 534721945 /nfs/dbraw/zinc/72/19/45/534721945.db2.gz FNFLWWVQVQAUKQ-STQMWFEESA-N 1 1 208.349 2.121 10 30 BEEEMO C=CCCCCC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401926192 527136609 /nfs/dbraw/zinc/13/66/09/527136609.db2.gz ZDBYLRUBDVNUON-CHWSQXEVSA-N 1 1 211.349 2.436 10 30 BEEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092514 534981846 /nfs/dbraw/zinc/98/18/46/534981846.db2.gz FTRWROWSYILIDA-QWHCGFSZSA-N 1 1 236.359 2.427 10 30 BEEEMO CC(C)[N@H+](CCC(C)(C)C#N)C[C@@H](C)O ZINC000120421397 535052486 /nfs/dbraw/zinc/05/24/86/535052486.db2.gz DNHJRLDODDHAEY-LLVKDONJSA-N 1 1 212.337 2.017 10 30 BEEEMO Cc1ccoc1CSCC[C@](C)([NH3+])C#N ZINC000757167564 582548515 /nfs/dbraw/zinc/54/85/15/582548515.db2.gz WWBDOJQSIHVVOD-NSHDSACASA-N 1 1 224.329 2.452 10 30 BEEEMO C[C@@H]1CCCC[N@H+]1Cc1cc(C#CCO)cs1 ZINC000043689785 582805756 /nfs/dbraw/zinc/80/57/56/582805756.db2.gz NARSRYHNSAFWMP-GFCCVEGCSA-N 1 1 249.379 2.466 10 30 BEEEMO C#CC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121212059 589517551 /nfs/dbraw/zinc/51/75/51/589517551.db2.gz LGNARJBLENGEFE-OLZOCXBDSA-N 1 1 221.344 2.289 10 30 BEEEMO C#CC[N@H+](CCCOCC)C1CCCC1 ZINC000123513682 589739646 /nfs/dbraw/zinc/73/96/46/589739646.db2.gz SDFMEIZWIATPOQ-UHFFFAOYSA-N 1 1 209.333 2.291 10 30 BEEEMO C=C(Cl)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000125775352 590188998 /nfs/dbraw/zinc/18/89/98/590188998.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 1 1 230.783 2.401 10 30 BEEEMO C=C[C@@H](CC)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000127472033 590678208 /nfs/dbraw/zinc/67/82/08/590678208.db2.gz FHNMUDDKQIYDKV-NWDGAFQWSA-N 1 1 225.332 2.369 10 30 BEEEMO C=C[C@@H](CC)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000127472033 590678211 /nfs/dbraw/zinc/67/82/11/590678211.db2.gz FHNMUDDKQIYDKV-NWDGAFQWSA-N 1 1 225.332 2.369 10 30 BEEEMO C=CCCCCC[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300256476 592505704 /nfs/dbraw/zinc/50/57/04/592505704.db2.gz GUEJYXMYBBXAKR-QWHCGFSZSA-N 1 1 239.359 2.474 10 30 BEEEMO OCC[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000051814908 631937627 /nfs/dbraw/zinc/93/76/27/631937627.db2.gz BUFUZWLTPUIZOO-UHFFFAOYSA-N 1 1 243.350 2.275 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000158763934 632484743 /nfs/dbraw/zinc/48/47/43/632484743.db2.gz LDMBZHJBXCYIPK-BXKDBHETSA-N 1 1 234.274 2.313 10 30 BEEEMO C#C[C@H]([NH2+]Cc1csc(COC)n1)C(C)C ZINC000309882276 633899297 /nfs/dbraw/zinc/89/92/97/633899297.db2.gz WCAOXHIXDYYFKH-NSHDSACASA-N 1 1 238.356 2.037 10 30 BEEEMO C=C(Cl)C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644728 643361397 /nfs/dbraw/zinc/36/13/97/643361397.db2.gz YYPWRFJWSDBCBO-JTQLQIEISA-N 1 1 201.697 2.040 10 30 BEEEMO C=C(Cl)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644728 643361400 /nfs/dbraw/zinc/36/14/00/643361400.db2.gz YYPWRFJWSDBCBO-JTQLQIEISA-N 1 1 201.697 2.040 10 30 BEEEMO C#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095664 644936666 /nfs/dbraw/zinc/93/66/66/644936666.db2.gz PKBFDDIQFCHMMZ-RBSFLKMASA-N 1 1 235.371 2.415 10 30 BEEEMO C[C@@H]([NH2+]CCC#N)c1ccc2c(c1)CCO2 ZINC000037240327 712556503 /nfs/dbraw/zinc/55/65/03/712556503.db2.gz WSFCXULIQXYDKZ-SNVBAGLBSA-N 1 1 216.284 2.186 10 30 BEEEMO Cc1cc(C[NH2+]C[C@@H](C)C#N)cc(C)c1O ZINC000054180487 178022493 /nfs/dbraw/zinc/02/24/93/178022493.db2.gz NWNGTKFHHQZFDS-VIFPVBQESA-N 1 1 218.300 2.258 10 30 BEEEMO C#C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000407132709 342894009 /nfs/dbraw/zinc/89/40/09/342894009.db2.gz DUTHFPILHFIMCN-SNVBAGLBSA-N 1 1 247.298 2.062 10 30 BEEEMO CC#CC[NH2+]Cc1ccc(Br)o1 ZINC000167691814 346888056 /nfs/dbraw/zinc/88/80/56/346888056.db2.gz IONPFRUYDMXMQE-UHFFFAOYSA-N 1 1 228.089 2.155 10 30 BEEEMO CC[N@H+]1CCC[C@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275759 346906654 /nfs/dbraw/zinc/90/66/54/346906654.db2.gz MPZGEZCZWVKBIJ-LBPRGKRZSA-N 1 1 244.342 2.158 10 30 BEEEMO C=CC[C@H]1c2cc(N)ccc2CC[N@@H+]1C ZINC000034562986 346935557 /nfs/dbraw/zinc/93/55/57/346935557.db2.gz WQDRWCFGOGHZEM-ZDUSSCGKSA-N 1 1 202.301 2.374 10 30 BEEEMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N(C)C)C1 ZINC000165478502 343436061 /nfs/dbraw/zinc/43/60/61/343436061.db2.gz PVXZXEBGFRCSDC-OAHLLOKOSA-N 1 1 243.354 2.003 10 30 BEEEMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000165478502 343436063 /nfs/dbraw/zinc/43/60/63/343436063.db2.gz PVXZXEBGFRCSDC-OAHLLOKOSA-N 1 1 243.354 2.003 10 30 BEEEMO N#CCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746944 187268123 /nfs/dbraw/zinc/26/81/23/187268123.db2.gz LAOLWNQVYDAUHB-ZDUSSCGKSA-N 1 1 216.284 2.273 10 30 BEEEMO C=CCCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000119145285 343655587 /nfs/dbraw/zinc/65/55/87/343655587.db2.gz KSPNTPUHPYOHGU-JTQLQIEISA-N 1 1 213.321 2.130 10 30 BEEEMO CC(C)(CCC#N)C[N@H+]1CCCN(C2CC2)CC1 ZINC000179734049 346995097 /nfs/dbraw/zinc/99/50/97/346995097.db2.gz UVTUICSXGYKAMC-UHFFFAOYSA-N 1 1 249.402 2.486 10 30 BEEEMO CC[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000135410696 344266232 /nfs/dbraw/zinc/26/62/32/344266232.db2.gz IOCGRSCTTAPZEF-NSHDSACASA-N 1 1 215.300 2.185 10 30 BEEEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000135512397 344506072 /nfs/dbraw/zinc/50/60/72/344506072.db2.gz IAQNWSMQZIGGCA-GHMZBOCLSA-N 1 1 215.300 2.184 10 30 BEEEMO Cc1cccc(C[N@@H+](CC/C(N)=N/O)C2CC2)c1 ZINC000042531533 179070885 /nfs/dbraw/zinc/07/08/85/179070885.db2.gz VFJDQAIJTCMBRM-UHFFFAOYSA-N 1 1 247.342 2.096 10 30 BEEEMO N/C(=N/O)[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000203551806 346637109 /nfs/dbraw/zinc/63/71/09/346637109.db2.gz COONNGOHJADQGL-LBPRGKRZSA-N 1 1 239.363 2.168 10 30 BEEEMO Cc1cncc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000309703626 347145034 /nfs/dbraw/zinc/14/50/34/347145034.db2.gz NOIKFRVKPNVDEY-QWHCGFSZSA-N 1 1 215.300 2.172 10 30 BEEEMO Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309836558 347183868 /nfs/dbraw/zinc/18/38/68/347183868.db2.gz BJARLADFOGDJCB-YPMHNXCESA-N 1 1 215.300 2.172 10 30 BEEEMO C=CC[N@H+]1CCCC[C@H]1[C@H]1CCCC1=O ZINC000250521454 362808710 /nfs/dbraw/zinc/80/87/10/362808710.db2.gz LHFCXAMBWGWJRL-NEPJUHHUSA-N 1 1 207.317 2.396 10 30 BEEEMO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCCC[C@H]1C#N ZINC000595695613 348305953 /nfs/dbraw/zinc/30/59/53/348305953.db2.gz WZUIZFFQEHNENI-MJBXVCDLSA-N 1 1 235.375 2.143 10 30 BEEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000595695592 348306027 /nfs/dbraw/zinc/30/60/27/348306027.db2.gz WRZSWKPTWZXVCV-WCQYABFASA-N 1 1 233.290 2.393 10 30 BEEEMO CCn1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)cn1 ZINC000595690341 348315665 /nfs/dbraw/zinc/31/56/65/348315665.db2.gz QLHDFARRURQOJF-STQMWFEESA-N 1 1 232.331 2.075 10 30 BEEEMO Cc1[nH+]ccn1CCNc1cccc(C#N)c1 ZINC000049329877 180263101 /nfs/dbraw/zinc/26/31/01/180263101.db2.gz LHPIDSQEXPINPF-UHFFFAOYSA-N 1 1 226.283 2.175 10 30 BEEEMO CC(C)[N@H+]1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616597519 350654282 /nfs/dbraw/zinc/65/42/82/350654282.db2.gz KGUYISZWKAEZAM-AWEZNQCLSA-N 1 1 244.338 2.382 10 30 BEEEMO C=CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC1=O ZINC000250521458 350882005 /nfs/dbraw/zinc/88/20/05/350882005.db2.gz LHFCXAMBWGWJRL-VXGBXAGGSA-N 1 1 207.317 2.396 10 30 BEEEMO N#Cc1ccc([C@@H]2CCC[N@@H+](CCN)CC2)cc1 ZINC000616627301 351107986 /nfs/dbraw/zinc/10/79/86/351107986.db2.gz HKMGBONUZCPNKE-CQSZACIVSA-N 1 1 243.354 2.086 10 30 BEEEMO N#Cc1ccc([C@@H]2CCC[N@H+](CCN)CC2)cc1 ZINC000616627301 351107990 /nfs/dbraw/zinc/10/79/90/351107990.db2.gz HKMGBONUZCPNKE-CQSZACIVSA-N 1 1 243.354 2.086 10 30 BEEEMO N#Cc1ccccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616629000 351099206 /nfs/dbraw/zinc/09/92/06/351099206.db2.gz SAWAKCSYQBFWBL-ZDUSSCGKSA-N 1 1 244.338 2.120 10 30 BEEEMO C[C@H]1CC[N@@H+](CC2(C=O)CCCC2)[C@H]1C ZINC000306857889 351183670 /nfs/dbraw/zinc/18/36/70/351183670.db2.gz YVJFDENKGUJGFL-RYUDHWBXSA-N 1 1 209.333 2.476 10 30 BEEEMO N#Cc1ccccc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616654829 351191286 /nfs/dbraw/zinc/19/12/86/351191286.db2.gz NXBTWOTUCYZBGB-CQSZACIVSA-N 1 1 244.338 2.120 10 30 BEEEMO SCCC[N@@H+]1CCC=C(Br)C1 ZINC000404484267 351479102 /nfs/dbraw/zinc/47/91/02/351479102.db2.gz VMLUQEKLJIBQSX-UHFFFAOYSA-N 1 1 236.178 2.291 10 30 BEEEMO SCCC[N@H+]1CCC=C(Br)C1 ZINC000404484267 351479107 /nfs/dbraw/zinc/47/91/07/351479107.db2.gz VMLUQEKLJIBQSX-UHFFFAOYSA-N 1 1 236.178 2.291 10 30 BEEEMO C[C@H](CCC#N)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000411317638 191176517 /nfs/dbraw/zinc/17/65/17/191176517.db2.gz CRNASODWNZYGDC-MGPQQGTHSA-N 1 1 236.359 2.306 10 30 BEEEMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000411317639 191177310 /nfs/dbraw/zinc/17/73/10/191177310.db2.gz CRNASODWNZYGDC-RDBSUJKOSA-N 1 1 236.359 2.306 10 30 BEEEMO CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846866 188281327 /nfs/dbraw/zinc/28/13/27/188281327.db2.gz JANDXRXRAHOOLT-LLVKDONJSA-N 1 1 245.326 2.225 10 30 BEEEMO CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846865 188281413 /nfs/dbraw/zinc/28/14/13/188281413.db2.gz JANDXRXRAHOOLT-NSHDSACASA-N 1 1 245.326 2.225 10 30 BEEEMO CC(C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000019846859 188281905 /nfs/dbraw/zinc/28/19/05/188281905.db2.gz XMCLTJVPSOMFLX-UHFFFAOYSA-N 1 1 245.326 2.227 10 30 BEEEMO C#CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134846292 353517033 /nfs/dbraw/zinc/51/70/33/353517033.db2.gz POPRGGBFFWMPFO-AWEZNQCLSA-N 1 1 245.297 2.496 10 30 BEEEMO N#CC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CO ZINC000055019810 181046338 /nfs/dbraw/zinc/04/63/38/181046338.db2.gz YIZJKDJKMYQQOR-HUUCEWRRSA-N 1 1 244.338 2.488 10 30 BEEEMO N#CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055019810 181046341 /nfs/dbraw/zinc/04/63/41/181046341.db2.gz YIZJKDJKMYQQOR-HUUCEWRRSA-N 1 1 244.338 2.488 10 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BEEEMO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334795840 354549993 /nfs/dbraw/zinc/54/99/93/354549993.db2.gz JJZNXMJBHTXHIW-VXGBXAGGSA-N 1 1 207.317 2.063 10 30 BEEEMO C=CC[NH2+]CC(=O)c1ccc(C)c(C)c1 ZINC000041611729 166399309 /nfs/dbraw/zinc/39/93/09/166399309.db2.gz QDWMUDBOFCATLI-UHFFFAOYSA-N 1 1 203.285 2.262 10 30 BEEEMO C#C[C@H]([NH2+]C)c1cccc(F)c1Br ZINC000130070166 357172381 /nfs/dbraw/zinc/17/23/81/357172381.db2.gz PJBUJXUADLFCEI-VIFPVBQESA-N 1 1 242.091 2.482 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1sccc1Br ZINC000130044475 357162480 /nfs/dbraw/zinc/16/24/80/357162480.db2.gz ZUAPXUXSZGEJCI-SSDOTTSWSA-N 1 1 230.130 2.404 10 30 BEEEMO CCCn1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cn1 ZINC000230686636 357550163 /nfs/dbraw/zinc/55/01/63/357550163.db2.gz QPFGOZWQJWOQNF-STQMWFEESA-N 1 1 232.331 2.075 10 30 BEEEMO CC(C)n1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cn1 ZINC000230686682 357550221 /nfs/dbraw/zinc/55/02/21/357550221.db2.gz SXKMORCNBNDWEN-STQMWFEESA-N 1 1 232.331 2.246 10 30 BEEEMO CCCCCCCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000192137374 357823877 /nfs/dbraw/zinc/82/38/77/357823877.db2.gz NSLIQUOYBFSZTG-KGLIPLIRSA-N 1 1 243.391 2.165 10 30 BEEEMO C#CC(C)(C)[N@@H+](CC)CCO[C@H]1CCCCO1 ZINC000584631243 358282831 /nfs/dbraw/zinc/28/28/31/358282831.db2.gz HNOBOCKLZGMFGH-ZDUSSCGKSA-N 1 1 239.359 2.263 10 30 BEEEMO C=CC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134144002 358782004 /nfs/dbraw/zinc/78/20/04/358782004.db2.gz XVIHOWVAGVMDGX-SMDDNHRTSA-N 1 1 217.312 2.496 10 30 BEEEMO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000054825630 358876246 /nfs/dbraw/zinc/87/62/46/358876246.db2.gz NEOPADFFDRQYKI-KGLIPLIRSA-N 1 1 225.295 2.340 10 30 BEEEMO C=CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246996483 359181588 /nfs/dbraw/zinc/18/15/88/359181588.db2.gz PSFOZDGVPUNSSQ-STQMWFEESA-N 1 1 236.359 2.038 10 30 BEEEMO CC[N@H+](C[C@@H](C)C#N)C[C@H]1Cc2ccccc2O1 ZINC000090874861 360090995 /nfs/dbraw/zinc/09/09/95/360090995.db2.gz NNYVMBCKSGBYKJ-GXTWGEPZSA-N 1 1 244.338 2.472 10 30 BEEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1Cc2ccccc2O1 ZINC000090874861 360091000 /nfs/dbraw/zinc/09/10/00/360091000.db2.gz NNYVMBCKSGBYKJ-GXTWGEPZSA-N 1 1 244.338 2.472 10 30 BEEEMO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1Cc2ccccc2O1 ZINC000090874860 360091693 /nfs/dbraw/zinc/09/16/93/360091693.db2.gz NNYVMBCKSGBYKJ-JSGCOSHPSA-N 1 1 244.338 2.472 10 30 BEEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1Cc2ccccc2O1 ZINC000090874860 360091696 /nfs/dbraw/zinc/09/16/96/360091696.db2.gz NNYVMBCKSGBYKJ-JSGCOSHPSA-N 1 1 244.338 2.472 10 30 BEEEMO CS[C@@H]1CCC[N@@H+](C[C@H](C)C#N)CC1 ZINC000300806321 360513042 /nfs/dbraw/zinc/51/30/42/360513042.db2.gz GKNUJSOHALABFX-GHMZBOCLSA-N 1 1 212.362 2.364 10 30 BEEEMO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000092330812 371092309 /nfs/dbraw/zinc/09/23/09/371092309.db2.gz GGQXZONRFRUMPH-TZMCWYRMSA-N 1 1 246.358 2.209 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000131464086 371607853 /nfs/dbraw/zinc/60/78/53/371607853.db2.gz PUSWRKQTMSMBJR-ONGXEEELSA-N 1 1 221.329 2.315 10 30 BEEEMO Cc1cnc([C@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000227494838 371875370 /nfs/dbraw/zinc/87/53/70/371875370.db2.gz XFNUCKDLKLASNP-JTQLQIEISA-N 1 1 219.288 2.328 10 30 BEEEMO CCC[N@@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049617741 169081199 /nfs/dbraw/zinc/08/11/99/169081199.db2.gz VUYNECKYQWVCJV-UHFFFAOYSA-N 1 1 249.329 2.401 10 30 BEEEMO CCCN[C@@](C)(C#N)C[N@H+](C)CC1CCCC1 ZINC000104350955 169283595 /nfs/dbraw/zinc/28/35/95/169283595.db2.gz AVNHMRBXTBLULC-AWEZNQCLSA-N 1 1 237.391 2.390 10 30 BEEEMO CCCN[C@@](C)(C#N)C[N@@H+](C)CC1CCCC1 ZINC000104350955 169283597 /nfs/dbraw/zinc/28/35/97/169283597.db2.gz AVNHMRBXTBLULC-AWEZNQCLSA-N 1 1 237.391 2.390 10 30 BEEEMO CC#CCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000155588465 384734164 /nfs/dbraw/zinc/73/41/64/384734164.db2.gz WSEISGNXMDCQKL-UHFFFAOYSA-N 1 1 245.370 2.315 10 30 BEEEMO O=CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000107145291 384951543 /nfs/dbraw/zinc/95/15/43/384951543.db2.gz FLBZZWJMNUTZIP-ZDUSSCGKSA-N 1 1 203.285 2.098 10 30 BEEEMO Cc1ccc(C=[NH+]CCc2c[nH]cn2)cc1 ZINC000238553586 385257432 /nfs/dbraw/zinc/25/74/32/385257432.db2.gz SBVILGFEYDKQRJ-RIYZIHGNSA-N 1 1 213.284 2.380 10 30 BEEEMO CC(=O)C=C(C)Nc1c[nH+]c2ccccn12 ZINC000167912659 385340169 /nfs/dbraw/zinc/34/01/69/385340169.db2.gz VGRAUWWMGKLGEO-CLFYSBASSA-N 1 1 215.256 2.239 10 30 BEEEMO N#CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228490051 387087984 /nfs/dbraw/zinc/08/79/84/387087984.db2.gz ZJUWVRCBYBEUGY-MJBXVCDLSA-N 1 1 236.359 2.306 10 30 BEEEMO C#C[C@H]([NH2+]C)c1ccsc1Br ZINC000575492173 387277433 /nfs/dbraw/zinc/27/74/33/387277433.db2.gz ZVCIFFUZRKKOPN-ZETCQYMHSA-N 1 1 230.130 2.404 10 30 BEEEMO Cc1cc(C)cc(C[N@H+](C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458341 177898478 /nfs/dbraw/zinc/89/84/78/177898478.db2.gz DDDXTKUEMGAFDC-LBPRGKRZSA-N 1 1 249.358 2.118 10 30 BEEEMO C#CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195336162 387917839 /nfs/dbraw/zinc/91/78/39/387917839.db2.gz RBBFPLNSSRSHIU-NSHDSACASA-N 1 1 220.341 2.264 10 30 BEEEMO C=CCCCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000236511222 388379928 /nfs/dbraw/zinc/37/99/28/388379928.db2.gz PDJFNENGJSVYQO-CYBMUJFWSA-N 1 1 211.349 2.437 10 30 BEEEMO C[C@H]1CSCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000336259314 134141637 /nfs/dbraw/zinc/14/16/37/134141637.db2.gz UWXCGOVVKJKASL-LLVKDONJSA-N 1 1 224.373 2.365 10 30 BEEEMO C#CCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000371205557 134227861 /nfs/dbraw/zinc/22/78/61/134227861.db2.gz AGHKPIRICCWYBY-LLVKDONJSA-N 1 1 220.341 2.346 10 30 BEEEMO C=CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175015926 134284531 /nfs/dbraw/zinc/28/45/31/134284531.db2.gz PSFOZDGVPUNSSQ-QWHCGFSZSA-N 1 1 236.359 2.038 10 30 BEEEMO CC#CCC[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248398138 135005039 /nfs/dbraw/zinc/00/50/39/135005039.db2.gz SUCFPDAEIUGUTE-IHRRRGAJSA-N 1 1 249.354 2.206 10 30 BEEEMO CCCCCC[N@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000070662771 135007305 /nfs/dbraw/zinc/00/73/05/135007305.db2.gz LXVBMCMXVFSUKQ-LLVKDONJSA-N 1 1 227.352 2.168 10 30 BEEEMO C[C@H](C#N)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248477724 135013851 /nfs/dbraw/zinc/01/38/51/135013851.db2.gz YXWOUSUMSMTHPY-RRFJBIMHSA-N 1 1 249.402 2.485 10 30 BEEEMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000252493178 135090931 /nfs/dbraw/zinc/09/09/31/135090931.db2.gz JCYFIRXICQNHPI-QWHCGFSZSA-N 1 1 237.391 2.198 10 30 BEEEMO C[C@H]1CN(CCCC(C)(C)C#N)C[C@H]1[NH+](C)C ZINC000252493178 135090933 /nfs/dbraw/zinc/09/09/33/135090933.db2.gz JCYFIRXICQNHPI-QWHCGFSZSA-N 1 1 237.391 2.198 10 30 BEEEMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090270 135120181 /nfs/dbraw/zinc/12/01/81/135120181.db2.gz HXAJXWSGNPOTHH-BFHYXJOUSA-N 1 1 221.344 2.025 10 30 BEEEMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095992 135121062 /nfs/dbraw/zinc/12/10/62/135121062.db2.gz PTDVUQXRRAGMCW-MCIONIFRSA-N 1 1 221.344 2.025 10 30 BEEEMO CC#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253097602 135121333 /nfs/dbraw/zinc/12/13/33/135121333.db2.gz RUULJQABLFHPDD-RBSFLKMASA-N 1 1 235.371 2.415 10 30 BEEEMO N#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253104286 135122431 /nfs/dbraw/zinc/12/24/31/135122431.db2.gz ZJUWVRCBYBEUGY-MGPQQGTHSA-N 1 1 236.359 2.306 10 30 BEEEMO CC(C)N[C@](C)(C#N)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000050567075 167142618 /nfs/dbraw/zinc/14/26/18/167142618.db2.gz HMOUBQDEHZOOLI-BFHYXJOUSA-N 1 1 237.391 2.387 10 30 BEEEMO CC(C)N[C@](C)(C#N)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000050567075 167142620 /nfs/dbraw/zinc/14/26/20/167142620.db2.gz HMOUBQDEHZOOLI-BFHYXJOUSA-N 1 1 237.391 2.387 10 30 BEEEMO C=CC[N@@H+]1CCC=C(c2csc(N)n2)C1 ZINC000013208878 166353156 /nfs/dbraw/zinc/35/31/56/166353156.db2.gz JMEQXIANNKFBTB-UHFFFAOYSA-N 1 1 221.329 2.000 10 30 BEEEMO C=CC[N@H+]1CCC=C(c2csc(N)n2)C1 ZINC000013208878 166353155 /nfs/dbraw/zinc/35/31/55/166353155.db2.gz JMEQXIANNKFBTB-UHFFFAOYSA-N 1 1 221.329 2.000 10 30 BEEEMO C=CC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702764 166359613 /nfs/dbraw/zinc/35/96/13/166359613.db2.gz OOIXDXTWVCEUDI-QWHCGFSZSA-N 1 1 210.365 2.127 10 30 BEEEMO C=CC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000068702764 166359615 /nfs/dbraw/zinc/35/96/15/166359615.db2.gz OOIXDXTWVCEUDI-QWHCGFSZSA-N 1 1 210.365 2.127 10 30 BEEEMO C=CC[N@@H+]1C[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000013826919 166362109 /nfs/dbraw/zinc/36/21/09/166362109.db2.gz XQGZKOCXXMZQLM-VXGBXAGGSA-N 1 1 215.296 2.292 10 30 BEEEMO CC1CCC([N@@H+](C)C[C@]2(C=O)CCOC2)CC1 ZINC000051179631 168160428 /nfs/dbraw/zinc/16/04/28/168160428.db2.gz LYZVIIALCJDCGB-RUXDESIVSA-N 1 1 239.359 2.103 10 30 BEEEMO CC#CCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000185035279 411399770 /nfs/dbraw/zinc/39/97/70/411399770.db2.gz ORPGHBINVHDVTL-LLVKDONJSA-N 1 1 225.332 2.062 10 30 BEEEMO CC#CCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000185035279 411399772 /nfs/dbraw/zinc/39/97/72/411399772.db2.gz ORPGHBINVHDVTL-LLVKDONJSA-N 1 1 225.332 2.062 10 30 BEEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(C=O)(CC)CC ZINC000051179446 171109366 /nfs/dbraw/zinc/10/93/66/171109366.db2.gz HCEFHCRVOBLJJF-QWHCGFSZSA-N 1 1 241.375 2.491 10 30 BEEEMO C[N@H+](Cc1ccc(C#CCCO)cc1)CC1CC1 ZINC000049613531 172844314 /nfs/dbraw/zinc/84/43/14/172844314.db2.gz IKKBSJQNJDBCMC-UHFFFAOYSA-N 1 1 243.350 2.262 10 30 BEEEMO C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054827713 173006030 /nfs/dbraw/zinc/00/60/30/173006030.db2.gz JQPVNIONPGNLOW-MGPQQGTHSA-N 1 1 235.375 2.143 10 30 BEEEMO C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054827713 173006033 /nfs/dbraw/zinc/00/60/33/173006033.db2.gz JQPVNIONPGNLOW-MGPQQGTHSA-N 1 1 235.375 2.143 10 30 BEEEMO C[N@H+]1CCN([C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000104138446 173092262 /nfs/dbraw/zinc/09/22/62/173092262.db2.gz WEZMETUCPFZJGE-CHWSQXEVSA-N 1 1 235.375 2.095 10 30 BEEEMO C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934410 173092743 /nfs/dbraw/zinc/09/27/43/173092743.db2.gz MLBHWENVLKWPMV-ZDUSSCGKSA-N 1 1 249.745 2.152 10 30 BEEEMO C[NH+]1CCN([C@H](C#N)c2ccccc2Cl)CC1 ZINC000019934380 173095900 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/nfs/dbraw/zinc/10/23/75/536102375.db2.gz ZQOIFSGARFHQHH-UHFFFAOYSA-N 1 1 205.305 2.147 10 30 BEEEMO C[C@@H](CC#N)[N@H+](C)CCSC(F)(F)F ZINC000123452355 583848124 /nfs/dbraw/zinc/84/81/24/583848124.db2.gz WEMTXZPDZGTNOZ-ZETCQYMHSA-N 1 1 226.267 2.473 10 30 BEEEMO C[C@@H](CC#N)[N@@H+](C)CCSC(F)(F)F ZINC000123452355 583848126 /nfs/dbraw/zinc/84/81/26/583848126.db2.gz WEMTXZPDZGTNOZ-ZETCQYMHSA-N 1 1 226.267 2.473 10 30 BEEEMO C=CCCC[N@H+](C)CN1C[C@H](CC)CC1=O ZINC000119328858 589271522 /nfs/dbraw/zinc/27/15/22/589271522.db2.gz GBCLUHPKWOMLQY-GFCCVEGCSA-N 1 1 224.348 2.100 10 30 BEEEMO CC[N@H+]1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC000051814059 631942147 /nfs/dbraw/zinc/94/21/47/631942147.db2.gz AVNZGWOLNUZOAB-MRXNPFEDSA-N 1 1 242.366 2.112 10 30 BEEEMO CCN1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000051814059 631942153 /nfs/dbraw/zinc/94/21/53/631942153.db2.gz AVNZGWOLNUZOAB-MRXNPFEDSA-N 1 1 242.366 2.112 10 30 BEEEMO Cc1nc([C@H](C)[NH2+]CCO[C@@H](C)C#N)cs1 ZINC000309459262 633091005 /nfs/dbraw/zinc/09/10/05/633091005.db2.gz OJHLUOQBGGCUGE-IUCAKERBSA-N 1 1 239.344 2.031 10 30 BEEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)c(F)c1 ZINC000224395866 640616105 /nfs/dbraw/zinc/61/61/05/640616105.db2.gz JLYMYBWKVTZEKH-JQWIXIFHSA-N 1 1 234.274 2.313 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)c(F)c1 ZINC000224395916 640616151 /nfs/dbraw/zinc/61/61/51/640616151.db2.gz JLYMYBWKVTZEKH-PWSUYJOCSA-N 1 1 234.274 2.313 10 30 BEEEMO CC(C)C[N@H+](CCC#N)Cc1ccc(N)nc1 ZINC000050815015 642336385 /nfs/dbraw/zinc/33/63/85/642336385.db2.gz HVDTYDUTVYEAOP-UHFFFAOYSA-N 1 1 232.331 2.035 10 30 BEEEMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N)nc1 ZINC000050815015 642336393 /nfs/dbraw/zinc/33/63/93/642336393.db2.gz HVDTYDUTVYEAOP-UHFFFAOYSA-N 1 1 232.331 2.035 10 30 BEEEMO C=C(Cl)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175332565 642676060 /nfs/dbraw/zinc/67/60/60/642676060.db2.gz XBUMTZWHIGBGRE-LLVKDONJSA-N 1 1 216.756 2.155 10 30 BEEEMO C#CCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724438900 711580569 /nfs/dbraw/zinc/58/05/69/711580569.db2.gz SETWCCOPIXBOSP-UHFFFAOYSA-N 1 1 206.289 2.085 10 30 BEEEMO CCOc1cccc(C[NH2+][C@@H](C)CC#N)c1 ZINC000037871531 1170987254 /nfs/dbraw/zinc/98/72/54/1170987254.db2.gz MPCSLQQOWSQJBX-NSHDSACASA-N 1 1 218.300 2.477 10 30 BEEEMO C=CCCOCC(F)(F)C[NH2+]CCC ZINC000685958258 538905645 /nfs/dbraw/zinc/90/56/45/538905645.db2.gz VUYUJUHPJLKRBD-UHFFFAOYSA-N 1 1 207.264 2.214 10 30 BEEEMO CCC(C=O)(CC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763305 168311330 /nfs/dbraw/zinc/31/13/30/168311330.db2.gz FJBQIGTTWRSGFW-CYBMUJFWSA-N 1 1 241.375 2.229 10 30 BEEEMO C=C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032600055 342855197 /nfs/dbraw/zinc/85/51/97/342855197.db2.gz KYCOHOVPRZPLEG-CYBMUJFWSA-N 1 1 203.285 2.246 10 30 BEEEMO C#C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000407132708 342894043 /nfs/dbraw/zinc/89/40/43/342894043.db2.gz DUTHFPILHFIMCN-JTQLQIEISA-N 1 1 247.298 2.062 10 30 BEEEMO C#CC[NH2+]Cc1cc(F)ccc1Br ZINC000020033298 187205875 /nfs/dbraw/zinc/20/58/75/187205875.db2.gz NPPSYBNBKSPUNA-UHFFFAOYSA-N 1 1 242.091 2.311 10 30 BEEEMO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@@H+]1CCCF ZINC000584883482 343086199 /nfs/dbraw/zinc/08/61/99/343086199.db2.gz PLRWPPPWZSGQAU-JGPRNRPPSA-N 1 1 201.285 2.034 10 30 BEEEMO C=CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023478 136283861 /nfs/dbraw/zinc/28/38/61/136283861.db2.gz YZGKTCKLNYKOHR-CHWSQXEVSA-N 1 1 209.333 2.190 10 30 BEEEMO CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846867 187252888 /nfs/dbraw/zinc/25/28/88/187252888.db2.gz ZIMUHFRWJWTFFR-NSHDSACASA-N 1 1 245.326 2.225 10 30 BEEEMO N#CC[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100119 343274226 /nfs/dbraw/zinc/27/42/26/343274226.db2.gz BDHOXPGLPRNJQM-JSGCOSHPSA-N 1 1 236.359 2.306 10 30 BEEEMO N#CC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100119 343274227 /nfs/dbraw/zinc/27/42/27/343274227.db2.gz BDHOXPGLPRNJQM-JSGCOSHPSA-N 1 1 236.359 2.306 10 30 BEEEMO CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616687425 343537025 /nfs/dbraw/zinc/53/70/25/343537025.db2.gz YCLNBGBZLASUIX-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO CC(C)[N@@H+](CCCO)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042504326 187265437 /nfs/dbraw/zinc/26/54/37/187265437.db2.gz BFKHUOLNXVIWTC-MGPQQGTHSA-N 1 1 238.375 2.408 10 30 BEEEMO CCCCCCCNc1cc(N)nc(C)[nH+]1 ZINC000409430006 343807120 /nfs/dbraw/zinc/80/71/20/343807120.db2.gz KJUUSVLSTXZYHY-UHFFFAOYSA-N 1 1 222.336 2.171 10 30 BEEEMO C=C(C)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106387492 347013548 /nfs/dbraw/zinc/01/35/48/347013548.db2.gz QBIWKDVSBVDTRC-UHFFFAOYSA-N 1 1 233.359 2.478 10 30 BEEEMO C#CCNC[C@H](C)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000053492434 187358497 /nfs/dbraw/zinc/35/84/97/187358497.db2.gz LSVJHXJWPUZNEI-ZNMIVQPWSA-N 1 1 234.387 2.252 10 30 BEEEMO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cn1 ZINC000062070624 344333512 /nfs/dbraw/zinc/33/35/12/344333512.db2.gz GKYQRGMOQFXNNW-CHWSQXEVSA-N 1 1 245.326 2.262 10 30 BEEEMO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cn1 ZINC000062070626 344333550 /nfs/dbraw/zinc/33/35/50/344333550.db2.gz GKYQRGMOQFXNNW-QWHCGFSZSA-N 1 1 245.326 2.262 10 30 BEEEMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000135512418 344505735 /nfs/dbraw/zinc/50/57/35/344505735.db2.gz IAQNWSMQZIGGCA-WDEREUQCSA-N 1 1 215.300 2.184 10 30 BEEEMO CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1C#N ZINC000104286115 187291997 /nfs/dbraw/zinc/29/19/97/187291997.db2.gz IECITMIRUUUKCJ-UHFFFAOYSA-N 1 1 242.238 2.215 10 30 BEEEMO C=C[C@]1(O)C[C@H](C)[N@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000238465361 345052722 /nfs/dbraw/zinc/05/27/22/345052722.db2.gz DNTLHLDYMDJBDF-RVMXOQNASA-N 1 1 209.333 2.186 10 30 BEEEMO O=CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000034181441 345818981 /nfs/dbraw/zinc/81/89/81/345818981.db2.gz VSBXJHJSMPWUDO-AWEZNQCLSA-N 1 1 217.312 2.488 10 30 BEEEMO N/C(=N/O)[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000203551803 346637079 /nfs/dbraw/zinc/63/70/79/346637079.db2.gz COONNGOHJADQGL-GFCCVEGCSA-N 1 1 239.363 2.168 10 30 BEEEMO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000309579441 347108286 /nfs/dbraw/zinc/10/82/86/347108286.db2.gz PYQVZESFLQRENQ-DCAQKATOSA-N 1 1 219.288 2.326 10 30 BEEEMO Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2C=O)c1 ZINC000054238512 179167125 /nfs/dbraw/zinc/16/71/25/179167125.db2.gz CARYYTSAHBZVKK-CQSZACIVSA-N 1 1 247.338 2.427 10 30 BEEEMO Cc1cccc(OCC[N@H+]2CCCC[C@@H]2C=O)c1 ZINC000054238512 179167127 /nfs/dbraw/zinc/16/71/27/179167127.db2.gz CARYYTSAHBZVKK-CQSZACIVSA-N 1 1 247.338 2.427 10 30 BEEEMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250534080 362808409 /nfs/dbraw/zinc/80/84/09/362808409.db2.gz WJLBOLQHFITKIY-NEPJUHHUSA-N 1 1 207.317 2.396 10 30 BEEEMO Cn1cc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)cn1 ZINC000119911093 347313543 /nfs/dbraw/zinc/31/35/43/347313543.db2.gz MCTKRYLEVHROET-ZDUSSCGKSA-N 1 1 246.358 2.497 10 30 BEEEMO Cc1ccccc1C[N@@H+](CC/C(N)=N/O)C1CC1 ZINC000042531542 179272759 /nfs/dbraw/zinc/27/27/59/179272759.db2.gz DFNFEPKMVFTEOO-UHFFFAOYSA-N 1 1 247.342 2.096 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH+]1CCSCC1 ZINC000037146696 348023924 /nfs/dbraw/zinc/02/39/24/348023924.db2.gz PYMIGPRWIUXLFW-QWRGUYRKSA-N 1 1 210.346 2.118 10 30 BEEEMO CCc1[nH+]ccn1CC#Cc1ccccc1 ZINC000111550818 348743860 /nfs/dbraw/zinc/74/38/60/348743860.db2.gz CTMOLWLCGBGXLJ-UHFFFAOYSA-N 1 1 210.280 2.497 10 30 BEEEMO Cc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1C#N ZINC000599298964 349140005 /nfs/dbraw/zinc/14/00/05/349140005.db2.gz CANLPONWWQAJBE-CHWSQXEVSA-N 1 1 244.338 2.476 10 30 BEEEMO Cc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1C#N ZINC000599298965 349140532 /nfs/dbraw/zinc/14/05/32/349140532.db2.gz CANLPONWWQAJBE-STQMWFEESA-N 1 1 244.338 2.476 10 30 BEEEMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)cc1C#N ZINC000599434476 349173838 /nfs/dbraw/zinc/17/38/38/349173838.db2.gz BHCPPHZYEWFTOS-XHDPSFHLSA-N 1 1 244.338 2.069 10 30 BEEEMO N#CCC1(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291294 350169906 /nfs/dbraw/zinc/16/99/06/350169906.db2.gz RIXRMAHQWJLROV-UKRRQHHQSA-N 1 1 248.370 2.307 10 30 BEEEMO Cc1[nH+]ccn1CCNc1ccccc1C#N ZINC000049329876 180262207 /nfs/dbraw/zinc/26/22/07/180262207.db2.gz WTBPROXCTZLRHF-UHFFFAOYSA-N 1 1 226.283 2.175 10 30 BEEEMO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600214 350779529 /nfs/dbraw/zinc/77/95/29/350779529.db2.gz BWGYSUGKDZJVRU-CQSZACIVSA-N 1 1 230.311 2.340 10 30 BEEEMO CC(C)[N@H+]1CCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600214 350779531 /nfs/dbraw/zinc/77/95/31/350779531.db2.gz BWGYSUGKDZJVRU-CQSZACIVSA-N 1 1 230.311 2.340 10 30 BEEEMO N#Cc1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616614237 350830270 /nfs/dbraw/zinc/83/02/70/350830270.db2.gz MDMWKWQOVQOOHB-CQSZACIVSA-N 1 1 230.311 2.078 10 30 BEEEMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000397773248 350975402 /nfs/dbraw/zinc/97/54/02/350975402.db2.gz HQAUQCXIBGUKCJ-IHRRRGAJSA-N 1 1 236.359 2.163 10 30 BEEEMO Cn1cc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)cn1 ZINC000386887177 363057493 /nfs/dbraw/zinc/05/74/93/363057493.db2.gz XJFNLPHYGWPTLY-CYBMUJFWSA-N 1 1 244.342 2.251 10 30 BEEEMO C[C@@H]1C[C@@]2(CO2)C[N@H+]1Cc1ccccc1 ZINC000306598819 353028990 /nfs/dbraw/zinc/02/89/90/353028990.db2.gz YCVNBLNJZNUSFL-YPMHNXCESA-N 1 1 203.285 2.050 10 30 BEEEMO C#C[C@H](C)Nc1cc[nH+]cc1Br ZINC000160058994 353124061 /nfs/dbraw/zinc/12/40/61/353124061.db2.gz VVRLJJJBXIFMOZ-ZETCQYMHSA-N 1 1 225.089 2.278 10 30 BEEEMO CC(C)[N@@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049616529 188045788 /nfs/dbraw/zinc/04/57/88/188045788.db2.gz NDBMUMLHICSLBW-UHFFFAOYSA-N 1 1 235.302 2.010 10 30 BEEEMO C=CCNC[C@@H](C)[N@@H+](CCOC)C(CC)CC ZINC000053497828 188046752 /nfs/dbraw/zinc/04/67/52/188046752.db2.gz NAIFPZZQIPPTNR-CYBMUJFWSA-N 1 1 242.407 2.288 10 30 BEEEMO C=CCNC[C@@H](C)[N@H+](CCOC)C(CC)CC ZINC000053497828 188046754 /nfs/dbraw/zinc/04/67/54/188046754.db2.gz NAIFPZZQIPPTNR-CYBMUJFWSA-N 1 1 242.407 2.288 10 30 BEEEMO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1N ZINC000063085133 188303912 /nfs/dbraw/zinc/30/39/12/188303912.db2.gz WYMLNNBKESDNJF-SNVBAGLBSA-N 1 1 233.315 2.011 10 30 BEEEMO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1N ZINC000063085133 188303913 /nfs/dbraw/zinc/30/39/13/188303913.db2.gz WYMLNNBKESDNJF-SNVBAGLBSA-N 1 1 233.315 2.011 10 30 BEEEMO Cc1ccc(C)c(C[N@H+](C)[C@H](C)C/C(N)=N/O)c1 ZINC000063089765 188304225 /nfs/dbraw/zinc/30/42/25/188304225.db2.gz SRGQWGJIIAUDHA-GFCCVEGCSA-N 1 1 249.358 2.260 10 30 BEEEMO CC(C)[N@@H+](CCC/C(N)=N/O)Cc1ccccc1 ZINC000019477521 188349368 /nfs/dbraw/zinc/34/93/68/188349368.db2.gz KOYIRQZUDZXAOT-UHFFFAOYSA-N 1 1 249.358 2.424 10 30 BEEEMO C=C(Br)C[N@H+]1CC[C@H]1CC ZINC000292524360 353721856 /nfs/dbraw/zinc/72/18/56/353721856.db2.gz WOCYGDAWNZFFSW-MRVPVSSYSA-N 1 1 204.111 2.379 10 30 BEEEMO C=C(Br)C[N@@H+]1CC[C@H]1CC ZINC000292524360 353721860 /nfs/dbraw/zinc/72/18/60/353721860.db2.gz WOCYGDAWNZFFSW-MRVPVSSYSA-N 1 1 204.111 2.379 10 30 BEEEMO N#CC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000071304874 181045219 /nfs/dbraw/zinc/04/52/19/181045219.db2.gz UDMFOCPUYMWTGV-KGLIPLIRSA-N 1 1 230.311 2.002 10 30 BEEEMO N#C[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000041210346 181054265 /nfs/dbraw/zinc/05/42/65/181054265.db2.gz ZWLLCUZGJVIWAB-ZDUSSCGKSA-N 1 1 200.285 2.390 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000054824568 181058732 /nfs/dbraw/zinc/05/87/32/181058732.db2.gz UBUNBPFPYPZZPQ-STQMWFEESA-N 1 1 215.300 2.254 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000061891481 181068664 /nfs/dbraw/zinc/06/86/64/181068664.db2.gz PKEXJUSDNYQTCR-YPMHNXCESA-N 1 1 216.284 2.174 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+][C@@H](CO)c1ccccc1 ZINC000063002157 181069182 /nfs/dbraw/zinc/06/91/82/181069182.db2.gz IPTYXMLZACANIQ-RDBSUJKOSA-N 1 1 230.311 2.002 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822943 181070105 /nfs/dbraw/zinc/07/01/05/181070105.db2.gz PXMWIHRTUGGXMC-CHWSQXEVSA-N 1 1 200.285 2.468 10 30 BEEEMO C=CC[NH2+]CC(=O)c1ccc(OC(C)C)cc1 ZINC000041613295 166398763 /nfs/dbraw/zinc/39/87/63/166398763.db2.gz CKCYJEDXNNKGNQ-UHFFFAOYSA-N 1 1 233.311 2.432 10 30 BEEEMO N#Cc1ncccc1C[NH2+]Cc1ccccc1 ZINC000061656815 181170508 /nfs/dbraw/zinc/17/05/08/181170508.db2.gz RSUGCKDMXNBECK-UHFFFAOYSA-N 1 1 223.279 2.243 10 30 BEEEMO C[N@H+]1CCC[C@@H]2CN(CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122275 /nfs/dbraw/zinc/12/22/75/134122275.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 1 1 247.386 2.096 10 30 BEEEMO CC(C)(C#N)CCCC[N@@H+]1CCn2ccnc2C1 ZINC000232531990 357664066 /nfs/dbraw/zinc/66/40/66/357664066.db2.gz JXGURCLXEAWZEB-UHFFFAOYSA-N 1 1 246.358 2.419 10 30 BEEEMO CC(C)(C#N)CCCC[N@H+]1CCn2ccnc2C1 ZINC000232531990 357664069 /nfs/dbraw/zinc/66/40/69/357664069.db2.gz JXGURCLXEAWZEB-UHFFFAOYSA-N 1 1 246.358 2.419 10 30 BEEEMO C[C@@H]1C[C@@H]([N@@H+](C)CCCCC#N)CCN1C ZINC000123447105 134243638 /nfs/dbraw/zinc/24/36/38/134243638.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 1 1 223.364 2.095 10 30 BEEEMO COCC#C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000584595445 358253106 /nfs/dbraw/zinc/25/31/06/358253106.db2.gz VARCASWVAOGDNI-ZDUSSCGKSA-N 1 1 217.312 2.157 10 30 BEEEMO C=CC[C@H]1C[N@@H+](C)CC[C@]1(O)c1ccccc1 ZINC000584636813 358321569 /nfs/dbraw/zinc/32/15/69/358321569.db2.gz FYFGTPYBZJGNFF-GJZGRUSLSA-N 1 1 231.339 2.402 10 30 BEEEMO OCCC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000052762653 358793280 /nfs/dbraw/zinc/79/32/80/358793280.db2.gz CXSGCTRDSOGKBD-MRXNPFEDSA-N 1 1 243.350 2.275 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000612586176 359899198 /nfs/dbraw/zinc/89/91/98/359899198.db2.gz OZZSOCCHSMBACU-ZYHUDNBSSA-N 1 1 240.310 2.345 10 30 BEEEMO CS[C@H]1CCC[N@@H+](C[C@H](C)C#N)CC1 ZINC000300806322 360512398 /nfs/dbraw/zinc/51/23/98/360512398.db2.gz GKNUJSOHALABFX-MNOVXSKESA-N 1 1 212.362 2.364 10 30 BEEEMO N#Cc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000435203764 201255757 /nfs/dbraw/zinc/25/57/57/201255757.db2.gz YXPPYCVEYGPXTF-DZGCQCFKSA-N 1 1 242.322 2.421 10 30 BEEEMO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C#N)CC[N@H+]1C ZINC000252134598 369999235 /nfs/dbraw/zinc/99/92/35/369999235.db2.gz MKMPJRFLRXITTR-XJFOESAGSA-N 1 1 235.375 2.141 10 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CCC[N@@H+](CC)Cc1ccccc1C#CCO ZINC000049617324 169129928 /nfs/dbraw/zinc/12/99/28/169129928.db2.gz LAONSESVZRXFTE-UHFFFAOYSA-N 1 1 231.339 2.262 10 30 BEEEMO CCC[N@@H+](CC1CC1)C[C@@]1(C=O)CCCOC1 ZINC000104323068 169138184 /nfs/dbraw/zinc/13/81/84/169138184.db2.gz BQNXIUYTRFRHLV-CQSZACIVSA-N 1 1 239.359 2.104 10 30 BEEEMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000128092174 384153203 /nfs/dbraw/zinc/15/32/03/384153203.db2.gz MNOXGYBHYMEXLQ-SNVBAGLBSA-N 1 1 236.340 2.231 10 30 BEEEMO CC#CC[N@H+](CCC)C[C@H]1CCCCO1 ZINC000119377470 384358616 /nfs/dbraw/zinc/35/86/16/384358616.db2.gz VKECLDHFJVIEFO-CYBMUJFWSA-N 1 1 209.333 2.291 10 30 BEEEMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO1 ZINC000103142385 384598417 /nfs/dbraw/zinc/59/84/17/384598417.db2.gz GYHVHSWZSLMXEI-AWEZNQCLSA-N 1 1 248.301 2.308 10 30 BEEEMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO1 ZINC000103142385 384598423 /nfs/dbraw/zinc/59/84/23/384598423.db2.gz GYHVHSWZSLMXEI-AWEZNQCLSA-N 1 1 248.301 2.308 10 30 BEEEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCC#N)C2)c1 ZINC000105900583 384889230 /nfs/dbraw/zinc/88/92/30/384889230.db2.gz OWPOBXYVNXAFCN-CYBMUJFWSA-N 1 1 232.331 2.132 10 30 BEEEMO CCCCCCCC[C@H]([NH3+])C(=O)OC ZINC000064437052 385820498 /nfs/dbraw/zinc/82/04/98/385820498.db2.gz MCUKSQZXVSZPAW-JTQLQIEISA-N 1 1 201.310 2.237 10 30 BEEEMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398794555 386993056 /nfs/dbraw/zinc/99/30/56/386993056.db2.gz QXKQAMGAONCOKO-YNEHKIRRSA-N 1 1 209.333 2.045 10 30 BEEEMO C[C@H]1SC(NCC(C)(F)F)=[NH+][C@H]1C ZINC000575465887 387062938 /nfs/dbraw/zinc/06/29/38/387062938.db2.gz CAVIWDFACRJWLQ-NTSWFWBYSA-N 1 1 208.277 2.111 10 30 BEEEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295049344 387834373 /nfs/dbraw/zinc/83/43/73/387834373.db2.gz PHVLSHJHEWXADC-IINYFYTJSA-N 1 1 248.301 2.043 10 30 BEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCCCC#N ZINC000246195948 388019182 /nfs/dbraw/zinc/01/91/82/388019182.db2.gz AAMDXYZSPMTLDE-KBPBESRZSA-N 1 1 235.375 2.239 10 30 BEEEMO CC#CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000119280725 134225607 /nfs/dbraw/zinc/22/56/07/134225607.db2.gz RXXTWJSSOIPXJS-CYBMUJFWSA-N 1 1 231.343 2.197 10 30 BEEEMO CC#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253097603 135121301 /nfs/dbraw/zinc/12/13/01/135121301.db2.gz RUULJQABLFHPDD-RRFJBIMHSA-N 1 1 235.371 2.415 10 30 BEEEMO CC(C)[NH2+]C[C@H]1CCCN(CCCCC#N)C1 ZINC000063138900 167115193 /nfs/dbraw/zinc/11/51/93/167115193.db2.gz DQNCKUJOGOJLGX-CQSZACIVSA-N 1 1 237.391 2.390 10 30 BEEEMO CC[N@H+]1CC[C@H](CNc2nc(C)ccc2C#N)C1 ZINC000043395507 170016802 /nfs/dbraw/zinc/01/68/02/170016802.db2.gz RRUGAMFQXBIJDH-GFCCVEGCSA-N 1 1 244.342 2.015 10 30 BEEEMO CCOCC[N@@H+](CC)[C@H]1CCC[C@@H]1C#N ZINC000104365012 170395876 /nfs/dbraw/zinc/39/58/76/170395876.db2.gz GICOMMIWBLQCNO-NEPJUHHUSA-N 1 1 210.321 2.037 10 30 BEEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042479294 171046844 /nfs/dbraw/zinc/04/68/44/171046844.db2.gz VGYARSJTEJOZHB-YRGRVCCFSA-N 1 1 236.359 2.162 10 30 BEEEMO CC[C@@H]1C[N@@H+](CC2(C=O)CCCCC2)CCO1 ZINC000051176908 171076897 /nfs/dbraw/zinc/07/68/97/171076897.db2.gz PKZYYUJTOFJSBD-CYBMUJFWSA-N 1 1 239.359 2.247 10 30 BEEEMO C[N@H+]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000042277167 173045526 /nfs/dbraw/zinc/04/55/26/173045526.db2.gz MYVKVIYKTJSFBO-ZDUSSCGKSA-N 1 1 215.300 2.064 10 30 BEEEMO C[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000075906574 173048331 /nfs/dbraw/zinc/04/83/31/173048331.db2.gz WTTCSLJBJDWDOC-ZDUSSCGKSA-N 1 1 200.285 2.367 10 30 BEEEMO C[N@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000104417582 173118380 /nfs/dbraw/zinc/11/83/80/173118380.db2.gz BEEQMORIDQZMFJ-JTQLQIEISA-N 1 1 233.290 2.061 10 30 BEEEMO C[N@H+]1CC[C@@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052904222 173125991 /nfs/dbraw/zinc/12/59/91/173125991.db2.gz KVBNKRODBXXYNU-SECBINFHSA-N 1 1 235.718 2.328 10 30 BEEEMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 ZINC000061985342 173126071 /nfs/dbraw/zinc/12/60/71/173126071.db2.gz HPSIIGMUWGXGAY-LLVKDONJSA-N 1 1 235.718 2.328 10 30 BEEEMO C[C@@H]1CCCC[N@H+]1Cc1cccc(/C(N)=N/O)c1 ZINC000019479091 176074156 /nfs/dbraw/zinc/07/41/56/176074156.db2.gz GHMCNSDXSISWTG-LLVKDONJSA-N 1 1 247.342 2.156 10 30 BEEEMO C[C@@H]1CCC[N@H+]1Cc1cccc(C#CCO)c1 ZINC000049615247 176109704 /nfs/dbraw/zinc/10/97/04/176109704.db2.gz KWDCKYCIWPPYAD-CYBMUJFWSA-N 1 1 229.323 2.015 10 30 BEEEMO C[C@@H]1CC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049613587 176174414 /nfs/dbraw/zinc/17/44/14/176174414.db2.gz UMGKMGSIFMCNSW-CQSZACIVSA-N 1 1 243.350 2.262 10 30 BEEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1sccc1C#CCO ZINC000104413751 176391937 /nfs/dbraw/zinc/39/19/37/176391937.db2.gz MDTZJJNRWVZRRY-DGCLKSJQSA-N 1 1 249.379 2.180 10 30 BEEEMO C[C@H](C/C(N)=N/O)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599445 176591077 /nfs/dbraw/zinc/59/10/77/176591077.db2.gz VSNMATPETNQENZ-YPMHNXCESA-N 1 1 247.342 2.001 10 30 BEEEMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc[nH]n1 ZINC000037908359 176876290 /nfs/dbraw/zinc/87/62/90/176876290.db2.gz QKLJRZGHILRKHQ-JTQLQIEISA-N 1 1 226.283 2.132 10 30 BEEEMO C[C@H](c1cccc(N)c1)[N@H+](C)CCC#N ZINC000040908089 177036292 /nfs/dbraw/zinc/03/62/92/177036292.db2.gz MEEWSNSOPLOWLX-SNVBAGLBSA-N 1 1 203.289 2.175 10 30 BEEEMO C[C@H](c1cccc(N)c1)[N@@H+](C)CCC#N ZINC000040908089 177036294 /nfs/dbraw/zinc/03/62/94/177036294.db2.gz MEEWSNSOPLOWLX-SNVBAGLBSA-N 1 1 203.289 2.175 10 30 BEEEMO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000037911501 177109497 /nfs/dbraw/zinc/10/94/97/177109497.db2.gz GMEKKLVAVHSQKH-NSHDSACASA-N 1 1 228.295 2.225 10 30 BEEEMO C[C@H]1CCC[N@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000037911501 177109499 /nfs/dbraw/zinc/10/94/99/177109499.db2.gz GMEKKLVAVHSQKH-NSHDSACASA-N 1 1 228.295 2.225 10 30 BEEEMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000135471812 177262166 /nfs/dbraw/zinc/26/21/66/177262166.db2.gz QCIFENOROXOVLG-NSHDSACASA-N 1 1 232.352 2.496 10 30 BEEEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399301995 267223828 /nfs/dbraw/zinc/22/38/28/267223828.db2.gz PBDUQQDYINNKAN-GWCFXTLKSA-N 1 1 248.301 2.043 10 30 BEEEMO CC#CC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134251809 323176951 /nfs/dbraw/zinc/17/69/51/323176951.db2.gz WSMOWGWACSTQHH-DOMZBBRYSA-N 1 1 229.323 2.334 10 30 BEEEMO C#CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107162 487958953 /nfs/dbraw/zinc/95/89/53/487958953.db2.gz OMVBQGQPSRVXSR-GJZGRUSLSA-N 1 1 229.323 2.208 10 30 BEEEMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cnn1C ZINC000135147465 325397170 /nfs/dbraw/zinc/39/71/70/325397170.db2.gz CJYDAESUDLGKCZ-SECBINFHSA-N 1 1 244.298 2.044 10 30 BEEEMO C[C@@H]1C[NH2+]C[C@]2(CCCN2CCCCC#N)C1 ZINC000757132820 582508534 /nfs/dbraw/zinc/50/85/34/582508534.db2.gz RYTNFBMRPPAEDX-KBPBESRZSA-N 1 1 235.375 2.144 10 30 BEEEMO C=CCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000120574709 534705988 /nfs/dbraw/zinc/70/59/88/534705988.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 1 1 210.365 2.369 10 30 BEEEMO C=CCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000120574709 534705996 /nfs/dbraw/zinc/70/59/96/534705996.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 1 1 210.365 2.369 10 30 BEEEMO C=CCCC[N@@H+](C)CC(=O)c1cccn1C ZINC000121063910 534707777 /nfs/dbraw/zinc/70/77/77/534707777.db2.gz QYUOSPAKAMQUAC-UHFFFAOYSA-N 1 1 220.316 2.106 10 30 BEEEMO C=CCCC[N@H+](C)CC(=O)c1cccn1C ZINC000121063910 534707780 /nfs/dbraw/zinc/70/77/80/534707780.db2.gz QYUOSPAKAMQUAC-UHFFFAOYSA-N 1 1 220.316 2.106 10 30 BEEEMO C=CCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000227357624 534854716 /nfs/dbraw/zinc/85/47/16/534854716.db2.gz SNFBJEUJVGMCSM-STQMWFEESA-N 1 1 208.349 2.121 10 30 BEEEMO C=CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227357624 534854718 /nfs/dbraw/zinc/85/47/18/534854718.db2.gz SNFBJEUJVGMCSM-STQMWFEESA-N 1 1 208.349 2.121 10 30 BEEEMO C=CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227357624 534854719 /nfs/dbraw/zinc/85/47/19/534854719.db2.gz SNFBJEUJVGMCSM-STQMWFEESA-N 1 1 208.349 2.121 10 30 BEEEMO CC(C)(C#N)CCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000300120101 534980464 /nfs/dbraw/zinc/98/04/64/534980464.db2.gz LWQMDDXQOZAMOC-AWEZNQCLSA-N 1 1 249.402 2.486 10 30 BEEEMO CC(C)[N@H+](CCC(C)(C)C#N)C[C@H](C)O ZINC000120421562 535051891 /nfs/dbraw/zinc/05/18/91/535051891.db2.gz DNHJRLDODDHAEY-NSHDSACASA-N 1 1 212.337 2.017 10 30 BEEEMO C[C@H]1[NH2+]CCC[C@@]12CCCN2CCCCC#N ZINC000757132996 582508816 /nfs/dbraw/zinc/50/88/16/582508816.db2.gz SIFCUJMVFFMROK-ZIAGYGMSSA-N 1 1 235.375 2.287 10 30 BEEEMO C=CCCC[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000119746846 589329277 /nfs/dbraw/zinc/32/92/77/589329277.db2.gz VPWCUYSVKADFNW-UHFFFAOYSA-N 1 1 246.310 2.450 10 30 BEEEMO C=CCCC[N@H+](C)Cn1c2ccccc2oc1=O ZINC000119746846 589329279 /nfs/dbraw/zinc/32/92/79/589329279.db2.gz VPWCUYSVKADFNW-UHFFFAOYSA-N 1 1 246.310 2.450 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000130656690 591494941 /nfs/dbraw/zinc/49/49/41/591494941.db2.gz FBIHXLYPZISUGO-RYUDHWBXSA-N 1 1 204.273 2.452 10 30 BEEEMO C=CCCCCC[N@H+](C)CN1CCOC1=S ZINC000131393001 591606503 /nfs/dbraw/zinc/60/65/03/591606503.db2.gz HSRYAMJEELCWHC-UHFFFAOYSA-N 1 1 242.388 2.239 10 30 BEEEMO CCCCCCCCC[N@H+]1CCOC[C@@H]1CO 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ZINC000685957845 538905674 /nfs/dbraw/zinc/90/56/74/538905674.db2.gz IPCJKFIBSBPROW-SECBINFHSA-N 1 1 207.264 2.212 10 30 BEEEMO CCC(C=O)(CC)C[N@@H+](C)CCN1CCCC1 ZINC000063053445 168311279 /nfs/dbraw/zinc/31/12/79/168311279.db2.gz XNYZLZQDOQRZDV-UHFFFAOYSA-N 1 1 240.391 2.019 10 30 BEEEMO CCC(C=O)(CC)CN(C)CC[NH+]1CCCC1 ZINC000063053445 168311281 /nfs/dbraw/zinc/31/12/81/168311281.db2.gz XNYZLZQDOQRZDV-UHFFFAOYSA-N 1 1 240.391 2.019 10 30 BEEEMO C=CCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000308785256 136216451 /nfs/dbraw/zinc/21/64/51/136216451.db2.gz FNFLWWVQVQAUKQ-QWHCGFSZSA-N 1 1 208.349 2.121 10 30 BEEEMO C=CC[N@@H+]1CC[C@H](c2ccc(N)cc2)C1 ZINC000116481973 342927555 /nfs/dbraw/zinc/92/75/55/342927555.db2.gz IVPGTVRXDACOMU-LBPRGKRZSA-N 1 1 202.301 2.244 10 30 BEEEMO CC#CC[N@@H+](C)Cc1cc2cc(O)ccc2n1C ZINC000013807943 343104521 /nfs/dbraw/zinc/10/45/21/343104521.db2.gz VJSXYTMXFSBYDX-UHFFFAOYSA-N 1 1 242.322 2.339 10 30 in-vivo BEEEMO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 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/nfs/dbraw/zinc/98/80/22/534988022.db2.gz IGPXALBTVPTFDY-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(C#N)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252693216 534988032 /nfs/dbraw/zinc/98/80/32/534988032.db2.gz IGPXALBTVPTFDY-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(C#N)CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000252693216 534988037 /nfs/dbraw/zinc/98/80/37/534988037.db2.gz IGPXALBTVPTFDY-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO N#C[C@]1([NH3+])CCSC2(CCCCC2)C1 ZINC000082374005 187314714 /nfs/dbraw/zinc/31/47/14/187314714.db2.gz MKQLONLLKSHKFF-JTQLQIEISA-N 1 1 210.346 2.437 10 30 BEEEMO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000309579442 347108503 /nfs/dbraw/zinc/10/85/03/347108503.db2.gz PYQVZESFLQRENQ-GARJFASQSA-N 1 1 219.288 2.326 10 30 BEEEMO Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000309703622 347144857 /nfs/dbraw/zinc/14/48/57/347144857.db2.gz NOIKFRVKPNVDEY-CHWSQXEVSA-N 1 1 215.300 2.172 10 30 BEEEMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401581465 347156856 /nfs/dbraw/zinc/15/68/56/347156856.db2.gz KIVCDXUPWKJYGE-IAQYHMDHSA-N 1 1 244.338 2.069 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000595695590 348306420 /nfs/dbraw/zinc/30/64/20/348306420.db2.gz WRZSWKPTWZXVCV-AAEUAGOBSA-N 1 1 233.290 2.393 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000597195586 348672525 /nfs/dbraw/zinc/67/25/25/348672525.db2.gz KQRVBHYKIHGQJQ-AAEUAGOBSA-N 1 1 244.342 2.001 10 30 BEEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000597195587 348672378 /nfs/dbraw/zinc/67/23/78/348672378.db2.gz KQRVBHYKIHGQJQ-DGCLKSJQSA-N 1 1 244.342 2.001 10 30 BEEEMO C=C[C@]1(O)C[C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]21 ZINC000039192319 350113354 /nfs/dbraw/zinc/11/33/54/350113354.db2.gz DNTLHLDYMDJBDF-LOWDOPEQSA-N 1 1 209.333 2.186 10 30 BEEEMO C=C1CC[C@H]2C(=C3CC=CC=C3[N@H+]2C)C1=O ZINC000220565129 350176240 /nfs/dbraw/zinc/17/62/40/350176240.db2.gz KYASXAOJLSBWBZ-LBPRGKRZSA-N 1 1 213.280 2.360 10 30 BEEEMO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 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ZINC000616638523 351139644 /nfs/dbraw/zinc/13/96/44/351139644.db2.gz WMLCSKQYBZWBEW-CQSZACIVSA-N 1 1 230.311 2.340 10 30 BEEEMO CC(C)[N@H+]1CCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616638523 351139646 /nfs/dbraw/zinc/13/96/46/351139646.db2.gz WMLCSKQYBZWBEW-CQSZACIVSA-N 1 1 230.311 2.340 10 30 BEEEMO C#CCN(CC)c1cc[nH+]cc1Br ZINC000159965800 351144825 /nfs/dbraw/zinc/14/48/25/351144825.db2.gz BKOLEXBZWCNNRE-UHFFFAOYSA-N 1 1 239.116 2.304 10 30 BEEEMO CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616666409 351226693 /nfs/dbraw/zinc/22/66/93/351226693.db2.gz RJZQXNNAEDOGBS-CQSZACIVSA-N 1 1 230.311 2.342 10 30 BEEEMO C[C@H](CCC#N)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000276274865 351613755 /nfs/dbraw/zinc/61/37/55/351613755.db2.gz DQNCYJYWGBHIBE-YPMHNXCESA-N 1 1 232.331 2.249 10 30 BEEEMO C#C[C@H]([NH2+]C)c1cscc1Br ZINC000404833542 352588309 /nfs/dbraw/zinc/58/83/09/352588309.db2.gz YXQSHBRWODTEHQ-QMMMGPOBSA-N 1 1 230.130 2.404 10 30 BEEEMO CC(C)[N@@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049616535 188046371 /nfs/dbraw/zinc/04/63/71/188046371.db2.gz CEEYUJNQLMERJL-UHFFFAOYSA-N 1 1 235.302 2.010 10 30 BEEEMO C=C(Cl)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178292896 188252876 /nfs/dbraw/zinc/25/28/76/188252876.db2.gz NBZTYYPRZVSTFL-LBPRGKRZSA-N 1 1 239.750 2.408 10 30 BEEEMO CC(C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846871 188281767 /nfs/dbraw/zinc/28/17/67/188281767.db2.gz OYTJGXQGEVBKNU-UHFFFAOYSA-N 1 1 245.326 2.227 10 30 BEEEMO Cc1[nH+]ccn1-c1ccc(F)cc1C#N ZINC000104190646 188336772 /nfs/dbraw/zinc/33/67/72/188336772.db2.gz GSFQIVKYSSZAHU-UHFFFAOYSA-N 1 1 201.204 2.192 10 30 BEEEMO CC(C)[N@@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049616516 188399765 /nfs/dbraw/zinc/39/97/65/188399765.db2.gz RBBREGSBWFZGIN-UHFFFAOYSA-N 1 1 249.329 2.400 10 30 BEEEMO N#C[C@@H]1CCCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000054827346 181058304 /nfs/dbraw/zinc/05/83/04/181058304.db2.gz CMFCFLBHCFUQSR-KBPBESRZSA-N 1 1 235.375 2.144 10 30 BEEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000054825512 181059774 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BEEEMO CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616687272 411415325 /nfs/dbraw/zinc/41/53/25/411415325.db2.gz RJZQXNNAEDOGBS-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042479298 171027390 /nfs/dbraw/zinc/02/73/90/171027390.db2.gz VGYARSJTEJOZHB-MBNYWOFBSA-N 1 1 236.359 2.162 10 30 BEEEMO CC[C@@](C)(C=O)C[N@@H+](C)CCc1ccccn1 ZINC000051176239 171164050 /nfs/dbraw/zinc/16/40/50/171164050.db2.gz RIPXCYIOJJGALM-CQSZACIVSA-N 1 1 234.343 2.171 10 30 BEEEMO CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049617220 171308587 /nfs/dbraw/zinc/30/85/87/171308587.db2.gz VCSQTSUIGNDWQC-LBPRGKRZSA-N 1 1 249.329 2.400 10 30 BEEEMO CC[C@H](C)[N@H+](CCOC)Cc1cccnc1C#N ZINC000061664498 171314823 /nfs/dbraw/zinc/31/48/23/171314823.db2.gz SSZNJVZBJNAZDS-LBPRGKRZSA-N 1 1 247.342 2.200 10 30 BEEEMO CC[C@H](C)[N@@H+](CCOC)Cc1cccnc1C#N ZINC000061664498 171314825 /nfs/dbraw/zinc/31/48/25/171314825.db2.gz SSZNJVZBJNAZDS-LBPRGKRZSA-N 1 1 247.342 2.200 10 30 BEEEMO CN(C)/C=[NH+]/c1nc2c(s1)CCCC2 ZINC000057557673 172352548 /nfs/dbraw/zinc/35/25/48/172352548.db2.gz AOYMSPHJAIUNCS-YRNVUSSQSA-N 1 1 209.318 2.243 10 30 BEEEMO C[N@H+]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000048935650 173019472 /nfs/dbraw/zinc/01/94/72/173019472.db2.gz LGPHTHXAKIECFY-UHFFFAOYSA-N 1 1 249.745 2.354 10 30 BEEEMO COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000042518259 174285579 /nfs/dbraw/zinc/28/55/79/174285579.db2.gz JWCNEHBXMSUBNN-OUCADQQQSA-N 1 1 236.359 2.426 10 30 BEEEMO C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000124326021 176110309 /nfs/dbraw/zinc/11/03/09/176110309.db2.gz SAQGSKZBUJUMPB-LLVKDONJSA-N 1 1 240.310 2.190 10 30 BEEEMO C[C@@H]1CC[N@@H+](Cc2ccccc2C#CCCO)C1 ZINC000049613584 176175258 /nfs/dbraw/zinc/17/52/58/176175258.db2.gz IIZLYCPUEKIZLZ-CQSZACIVSA-N 1 1 243.350 2.262 10 30 BEEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC000047934885 176219135 /nfs/dbraw/zinc/21/91/35/176219135.db2.gz UZTFKNPHQOZHCI-UMVBOHGHSA-N 1 1 249.402 2.341 10 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248.301 2.043 10 30 BEEEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc(C#N)c1F ZINC000399333272 267223969 /nfs/dbraw/zinc/22/39/69/267223969.db2.gz ZGOMMYOAHWGHFK-GWCFXTLKSA-N 1 1 248.301 2.043 10 30 BEEEMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007793 325324093 /nfs/dbraw/zinc/32/40/93/325324093.db2.gz FCQQHVXNADXAAT-NSHDSACASA-N 1 1 240.347 2.162 10 30 BEEEMO C=C(Cl)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227380541 534440784 /nfs/dbraw/zinc/44/07/84/534440784.db2.gz QAPCXFKALIISNV-RYUDHWBXSA-N 1 1 229.751 2.366 10 30 BEEEMO C=CCCC[N@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000121072648 534708984 /nfs/dbraw/zinc/70/89/84/534708984.db2.gz ZAQZACRYGKQXIH-UHFFFAOYSA-N 1 1 246.354 2.444 10 30 BEEEMO C=CCCCCC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401926195 527135072 /nfs/dbraw/zinc/13/50/72/527135072.db2.gz ZDBYLRUBDVNUON-STQMWFEESA-N 1 1 211.349 2.436 10 30 BEEEMO C[C@H](CC#N)[N@H+](C)CCSC(F)(F)F ZINC000123452576 583848162 /nfs/dbraw/zinc/84/81/62/583848162.db2.gz WEMTXZPDZGTNOZ-SSDOTTSWSA-N 1 1 226.267 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N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000054829756 181060771 /nfs/dbraw/zinc/06/07/71/181060771.db2.gz VOPXOSLUEGOMJH-WCQYABFASA-N 1 1 245.282 2.377 10 30 BEEEMO N#Cc1ccccc1N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000042338239 181149148 /nfs/dbraw/zinc/14/91/48/181149148.db2.gz AJZKQLUJFPMQQH-UONOGXRCSA-N 1 1 227.311 2.207 10 30 BEEEMO N#CC1(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CCC1 ZINC000335160025 354867226 /nfs/dbraw/zinc/86/72/26/354867226.db2.gz TZJKQPKXZRVLOV-CHWSQXEVSA-N 1 1 246.354 2.181 10 30 BEEEMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC#N ZINC000346711009 355102554 /nfs/dbraw/zinc/10/25/54/355102554.db2.gz XODQRVSHNJIQCG-MCIONIFRSA-N 1 1 236.359 2.306 10 30 BEEEMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374035008 192015185 /nfs/dbraw/zinc/01/51/85/192015185.db2.gz BJVHFVVWWNOPDU-OAHLLOKOSA-N 1 1 244.338 2.153 10 30 BEEEMO C[C@H]1CCC[N@@H+](Cc2nn(C)cc2CC#N)[C@H]1C ZINC000675056563 538478586 /nfs/dbraw/zinc/47/85/86/538478586.db2.gz RVYBEQNCAXEYIQ-RYUDHWBXSA-N 1 1 246.358 2.107 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1cc(F)ccc1Br ZINC000130093387 357279605 /nfs/dbraw/zinc/27/96/05/357279605.db2.gz KDIONGLRCJLVFU-SNVBAGLBSA-N 1 1 242.091 2.482 10 30 BEEEMO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cn1 ZINC000230686679 357549934 /nfs/dbraw/zinc/54/99/34/357549934.db2.gz SXKMORCNBNDWEN-QWHCGFSZSA-N 1 1 232.331 2.246 10 30 BEEEMO C=CCCC[N@H+]1CCCN(C2CC2)CC1 ZINC000172237824 134264644 /nfs/dbraw/zinc/26/46/44/134264644.db2.gz MUQVVBWARDCKIL-UHFFFAOYSA-N 1 1 208.349 2.123 10 30 BEEEMO C#CC[N@H+]1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000584651835 358306890 /nfs/dbraw/zinc/30/68/90/358306890.db2.gz YJZFLGJYWKBUNG-AWEZNQCLSA-N 1 1 228.339 2.139 10 30 BEEEMO CN(C)c1ccc(C=[NH+]CCc2c[nH]cn2)cc1 ZINC000584617540 358282713 /nfs/dbraw/zinc/28/27/13/358282713.db2.gz AMXJUDWSZQPILL-OQLLNIDSSA-N 1 1 242.326 2.137 10 30 BEEEMO N/C(=N\O)[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000301809767 358436311 /nfs/dbraw/zinc/43/63/11/358436311.db2.gz LSPWHIOCMUWMMR-LBPRGKRZSA-N 1 1 239.363 2.168 10 30 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WNSIQDTVJRUVSS-KBPBESRZSA-N 1 1 247.386 2.239 10 30 BEEEMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@@H](O)C1 ZINC000309721120 370249881 /nfs/dbraw/zinc/24/98/81/370249881.db2.gz BTXVLHHAZDSBRA-JHJVBQTASA-N 1 1 224.348 2.019 10 30 BEEEMO CC[N@H+](Cc1ccc(C#N)o1)CC1CC1 ZINC000125642453 371368760 /nfs/dbraw/zinc/36/87/60/371368760.db2.gz RDBMXEBBRHRMBC-UHFFFAOYSA-N 1 1 204.273 2.383 10 30 BEEEMO CC#CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000162004109 371599688 /nfs/dbraw/zinc/59/96/88/371599688.db2.gz IHLLHLYTFXZWLO-QMMMGPOBSA-N 1 1 208.330 2.434 10 30 BEEEMO CCC[N@@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049617712 169080667 /nfs/dbraw/zinc/08/06/67/169080667.db2.gz KTNLYWKHWDVICU-UHFFFAOYSA-N 1 1 231.339 2.262 10 30 BEEEMO CCC[N@@H+](CC[C@H](C#N)NC1CC1)CC1CC1 ZINC000062436771 169170812 /nfs/dbraw/zinc/17/08/12/169170812.db2.gz XDLSEQDALHXFHH-CQSZACIVSA-N 1 1 235.375 2.143 10 30 BEEEMO CC(C)c1ccc(C#N)c(/[NH+]=C/N(C)C)n1 ZINC000087493674 383848411 /nfs/dbraw/zinc/84/84/11/383848411.db2.gz ZHIQUUAOCPSGIX-RIYZIHGNSA-N 1 1 216.288 2.298 10 30 BEEEMO C=CCCC[N@H+](C)Cc1c(C)nn(C)c1C ZINC000117876759 384609285 /nfs/dbraw/zinc/60/92/85/384609285.db2.gz HXKIZMSNKKPEOJ-UHFFFAOYSA-N 1 1 221.348 2.435 10 30 BEEEMO C=CC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000171953316 384681234 /nfs/dbraw/zinc/68/12/34/384681234.db2.gz OTPNKCHHJQYFRT-UHFFFAOYSA-N 1 1 246.358 2.091 10 30 BEEEMO CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000307970606 385369056 /nfs/dbraw/zinc/36/90/56/385369056.db2.gz HCYJAFJQKLMPOH-TZMCWYRMSA-N 1 1 246.358 2.302 10 30 BEEEMO CC(C)(C#N)CC[N@H+]1CCCC[C@H](CO)C1 ZINC000364851940 385527961 /nfs/dbraw/zinc/52/79/61/385527961.db2.gz PPWWLEPWRQKNJS-LBPRGKRZSA-N 1 1 224.348 2.021 10 30 BEEEMO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cn1 ZINC000062053075 386490574 /nfs/dbraw/zinc/49/05/74/386490574.db2.gz JJVYVPMVPMHTTA-OLZOCXBDSA-N 1 1 215.300 2.172 10 30 BEEEMO C=CC1([N@@H+]2CCC[C@H](C)C2)CCNCC1 ZINC000536954896 387167697 /nfs/dbraw/zinc/16/76/97/387167697.db2.gz OQWRKVGEVQGJPQ-LBPRGKRZSA-N 1 1 208.349 2.027 10 30 BEEEMO C=CC1([N@H+]2CCC[C@H](C)C2)CCNCC1 ZINC000536954896 387167702 /nfs/dbraw/zinc/16/77/02/387167702.db2.gz OQWRKVGEVQGJPQ-LBPRGKRZSA-N 1 1 208.349 2.027 10 30 BEEEMO Cc1cc(C#N)ccc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000186239031 387534598 /nfs/dbraw/zinc/53/45/98/387534598.db2.gz HLMPTPHADMZTBW-STQMWFEESA-N 1 1 244.338 2.476 10 30 BEEEMO C=CCOc1ccccc1CNC[C@@H](C)[NH+](C)C ZINC000038087540 387573390 /nfs/dbraw/zinc/57/33/90/387573390.db2.gz GXPNCZCHDZTCHN-CYBMUJFWSA-N 1 1 248.370 2.291 10 30 BEEEMO CN(Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000129505908 387773431 /nfs/dbraw/zinc/77/34/31/387773431.db2.gz HCEXFIUWQWHNEC-OAHLLOKOSA-N 1 1 243.354 2.132 10 30 BEEEMO C=C(C)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171645008 387828053 /nfs/dbraw/zinc/82/80/53/387828053.db2.gz HTFZDCVTBXHTRN-ZDUSSCGKSA-N 1 1 231.343 2.392 10 30 BEEEMO C=CCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177181362 387914810 /nfs/dbraw/zinc/91/48/10/387914810.db2.gz UNBMDALWEVXRRS-CYBMUJFWSA-N 1 1 247.342 2.149 10 30 BEEEMO C=CCC(CC=C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177101873 387915344 /nfs/dbraw/zinc/91/53/44/387915344.db2.gz BBWPLLGMEROGGQ-AWEZNQCLSA-N 1 1 248.370 2.061 10 30 BEEEMO C=CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515948 388165869 /nfs/dbraw/zinc/16/58/69/388165869.db2.gz GGNDUPICOHFHTF-GFCCVEGCSA-N 1 1 217.316 2.001 10 30 BEEEMO COc1ccc([C@@H](C)[NH2+]CCC#N)cc1F ZINC000020200025 134223797 /nfs/dbraw/zinc/22/37/97/134223797.db2.gz JNQDAPGCSZVPME-SECBINFHSA-N 1 1 222.263 2.399 10 30 BEEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000252694264 135094628 /nfs/dbraw/zinc/09/46/28/135094628.db2.gz ZLWFFQIGVYOLMX-KBPBESRZSA-N 1 1 249.402 2.485 10 30 BEEEMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(C)(C)C#N ZINC000252694264 135094630 /nfs/dbraw/zinc/09/46/30/135094630.db2.gz ZLWFFQIGVYOLMX-KBPBESRZSA-N 1 1 249.402 2.485 10 30 BEEEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(C)(C)C#N ZINC000252694264 135094632 /nfs/dbraw/zinc/09/46/32/135094632.db2.gz ZLWFFQIGVYOLMX-KBPBESRZSA-N 1 1 249.402 2.485 10 30 BEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(C)(C)C#N ZINC000252692988 135096986 /nfs/dbraw/zinc/09/69/86/135096986.db2.gz FJJJFRCZFVYMEU-STQMWFEESA-N 1 1 235.375 2.095 10 30 BEEEMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090272 135119919 /nfs/dbraw/zinc/11/99/19/135119919.db2.gz HXAJXWSGNPOTHH-MGPQQGTHSA-N 1 1 221.344 2.025 10 30 BEEEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295049342 398104072 /nfs/dbraw/zinc/10/40/72/398104072.db2.gz PHVLSHJHEWXADC-HZMBPMFUSA-N 1 1 248.301 2.043 10 30 BEEEMO C#CCNC[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492361 166187558 /nfs/dbraw/zinc/18/75/58/166187558.db2.gz OFJDOWAQUSTCNT-QLFBSQMISA-N 1 1 234.387 2.110 10 30 BEEEMO C#CC[NH2+]C[C@@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492361 166187560 /nfs/dbraw/zinc/18/75/60/166187560.db2.gz OFJDOWAQUSTCNT-QLFBSQMISA-N 1 1 234.387 2.110 10 30 BEEEMO CC(C)N[C@](C)(C#N)CC[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104423761 167141925 /nfs/dbraw/zinc/14/19/25/167141925.db2.gz FZKSMNZXLUDUET-IHRRRGAJSA-N 1 1 237.391 2.245 10 30 BEEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](CCO)C(C)C)C1 ZINC000042479176 171046292 /nfs/dbraw/zinc/04/62/92/171046292.db2.gz WUSOBENGHMIFGM-MGPQQGTHSA-N 1 1 238.375 2.408 10 30 BEEEMO CC[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)CC[N@H+]1C ZINC000104135912 171094475 /nfs/dbraw/zinc/09/44/75/171094475.db2.gz PXDJLNFXFUFRCF-MGPQQGTHSA-N 1 1 235.375 2.095 10 30 BEEEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000123369751 171178630 /nfs/dbraw/zinc/17/86/30/171178630.db2.gz PGJIFPNRUYIGHJ-CQSZACIVSA-N 1 1 232.327 2.151 10 30 BEEEMO C=CC[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000665230833 412168729 /nfs/dbraw/zinc/16/87/29/412168729.db2.gz WPVRSLMGYPPBIL-FRRDWIJNSA-N 1 1 208.349 2.073 10 30 BEEEMO C[N@H+]1CCC[C@@]2(CCN(CC3(C#N)CCC3)C2)C1 ZINC000336264825 173037992 /nfs/dbraw/zinc/03/79/92/173037992.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 1 1 247.386 2.098 10 30 BEEEMO COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042518260 174284999 /nfs/dbraw/zinc/28/49/99/174284999.db2.gz JWCNEHBXMSUBNN-MBNYWOFBSA-N 1 1 236.359 2.426 10 30 BEEEMO COCC[N@@H+](CCCCC#N)[C@H](C)C1CC1 ZINC000042616507 174291086 /nfs/dbraw/zinc/29/10/86/174291086.db2.gz JLZRSSFSUVAXIG-GFCCVEGCSA-N 1 1 224.348 2.427 10 30 BEEEMO COc1ccccc1CC[N@H+](C)[C@@H](C)CC#N ZINC000049822544 175323001 /nfs/dbraw/zinc/32/30/01/175323001.db2.gz MIQDAGVYNNCBGY-LBPRGKRZSA-N 1 1 232.327 2.472 10 30 BEEEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)CC#N ZINC000049822544 175323002 /nfs/dbraw/zinc/32/30/02/175323002.db2.gz MIQDAGVYNNCBGY-LBPRGKRZSA-N 1 1 232.327 2.472 10 30 BEEEMO COc1ccccc1C[N@H+]1CCC[C@H](C=O)C1 ZINC000054218169 175327534 /nfs/dbraw/zinc/32/75/34/175327534.db2.gz CXCZWLXBPCEJNR-LBPRGKRZSA-N 1 1 233.311 2.106 10 30 BEEEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615718 176073268 /nfs/dbraw/zinc/07/32/68/176073268.db2.gz AKITZBUVWMQLCN-CQSZACIVSA-N 1 1 243.350 2.405 10 30 BEEEMO C[C@@H]1CCC[N@@H+](Cc2cccc(/C(N)=N/O)c2)C1 ZINC000019425659 176101384 /nfs/dbraw/zinc/10/13/84/176101384.db2.gz ULLZXVUKQREHSV-LLVKDONJSA-N 1 1 247.342 2.013 10 30 BEEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CCCO[C@H](C)C2)C1 ZINC000061918400 176218712 /nfs/dbraw/zinc/21/87/12/176218712.db2.gz VSSZAJRXYMUNNG-AAVRWANBSA-N 1 1 236.359 2.426 10 30 BEEEMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCS1 ZINC000131349631 176302533 /nfs/dbraw/zinc/30/25/33/176302533.db2.gz ICKGUGWPKVPMRH-SECBINFHSA-N 1 1 222.313 2.089 10 30 BEEEMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCS1 ZINC000131349631 176302535 /nfs/dbraw/zinc/30/25/35/176302535.db2.gz ICKGUGWPKVPMRH-SECBINFHSA-N 1 1 222.313 2.089 10 30 BEEEMO C[C@H](S)c1nnc([C@H]([NH3+])C(C)(C)C)o1 ZINC000083348405 177025761 /nfs/dbraw/zinc/02/57/61/177025761.db2.gz CKRFNAZACSBEPS-WDSKDSINSA-N 1 1 215.322 2.106 10 30 BEEEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129604 267222776 /nfs/dbraw/zinc/22/27/76/267222776.db2.gz SJGIEWRAHOGAQB-GXFFZTMASA-N 1 1 248.301 2.043 10 30 BEEEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129602 267223914 /nfs/dbraw/zinc/22/39/14/267223914.db2.gz SJGIEWRAHOGAQB-GWCFXTLKSA-N 1 1 248.301 2.043 10 30 BEEEMO C=CCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000175265921 534651272 /nfs/dbraw/zinc/65/12/72/534651272.db2.gz UXEKSFINTQNXKK-CYBMUJFWSA-N 1 1 236.359 2.039 10 30 BEEEMO C=CCCC[N@H+](C)Cc1ccnn1CC ZINC000128883619 534710271 /nfs/dbraw/zinc/71/02/71/534710271.db2.gz NDCJKXPPLHKFGI-UHFFFAOYSA-N 1 1 207.321 2.301 10 30 BEEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000121158816 534713459 /nfs/dbraw/zinc/71/34/59/534713459.db2.gz KEXYIJOJSILCAW-CYBMUJFWSA-N 1 1 240.391 2.435 10 30 BEEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC)CC ZINC000121159143 534714388 /nfs/dbraw/zinc/71/43/88/534714388.db2.gz PTKFJKASLFYGOV-GFCCVEGCSA-N 1 1 226.364 2.141 10 30 BEEEMO C=C[C@@H](CC)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000127471590 590678889 /nfs/dbraw/zinc/67/88/89/590678889.db2.gz FHNMUDDKQIYDKV-RYUDHWBXSA-N 1 1 225.332 2.369 10 30 BEEEMO C=C[C@@H](CC)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000127471590 590678890 /nfs/dbraw/zinc/67/88/90/590678890.db2.gz FHNMUDDKQIYDKV-RYUDHWBXSA-N 1 1 225.332 2.369 10 30 BEEEMO C#CCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000300409568 592511624 /nfs/dbraw/zinc/51/16/24/592511624.db2.gz IUDMLGQUSYOAIU-HUUCEWRRSA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000300409568 592511625 /nfs/dbraw/zinc/51/16/25/592511625.db2.gz IUDMLGQUSYOAIU-HUUCEWRRSA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000300409568 592511627 /nfs/dbraw/zinc/51/16/27/592511627.db2.gz IUDMLGQUSYOAIU-HUUCEWRRSA-N 1 1 234.387 2.349 10 30 BEEEMO N#CC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000127618477 592727778 /nfs/dbraw/zinc/72/77/78/592727778.db2.gz OCEICNNJIGIPQR-UHFFFAOYSA-N 1 1 238.278 2.475 10 30 BEEEMO C=C(Cl)C[NH2+]Cc1cccc(F)c1O ZINC000163182878 636188846 /nfs/dbraw/zinc/18/88/46/636188846.db2.gz HKEJEWPSDPJXTO-UHFFFAOYSA-N 1 1 215.655 2.373 10 30 BEEEMO C[N@@H+](CCCCC#N)Cc1ccccn1 ZINC000049579395 1171707746 /nfs/dbraw/zinc/70/77/46/1171707746.db2.gz XCROUZBOYXGTNN-UHFFFAOYSA-N 1 1 203.289 2.207 10 30 BEEEMO C=CCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000308785254 136216554 /nfs/dbraw/zinc/21/65/54/136216554.db2.gz FNFLWWVQVQAUKQ-CHWSQXEVSA-N 1 1 208.349 2.121 10 30 BEEEMO N#CC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000147114493 342774026 /nfs/dbraw/zinc/77/40/26/342774026.db2.gz MVDAHCBOHFCYFL-UHFFFAOYSA-N 1 1 225.295 2.316 10 30 BEEEMO OCC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000051916416 539011747 /nfs/dbraw/zinc/01/17/47/539011747.db2.gz FHJXOTMDFKDARW-MRXNPFEDSA-N 1 1 243.350 2.133 10 30 BEEEMO CN(C)C=[NH+]c1nc(=S)ss1 ZINC000382642876 361968334 /nfs/dbraw/zinc/96/83/34/361968334.db2.gz YRDSDHFBUHFDPG-UHFFFAOYSA-N 1 1 205.333 2.155 10 30 BEEEMO C#C[C@@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000407126185 342894660 /nfs/dbraw/zinc/89/46/60/342894660.db2.gz AFOBBFJZFDFQPG-SECBINFHSA-N 1 1 247.298 2.062 10 30 BEEEMO SC/C=C\Cn1c[nH+]c2c1CCCC2 ZINC000379340486 342945428 /nfs/dbraw/zinc/94/54/28/342945428.db2.gz COHNHEHPPOHQTE-ARJAWSKDSA-N 1 1 208.330 2.248 10 30 BEEEMO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000086573723 136280976 /nfs/dbraw/zinc/28/09/76/136280976.db2.gz SVOYAWRVPMXJFR-PWSUYJOCSA-N 1 1 231.324 2.402 10 30 BEEEMO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000086573722 136281046 /nfs/dbraw/zinc/28/10/46/136281046.db2.gz SVOYAWRVPMXJFR-ZYHUDNBSSA-N 1 1 231.324 2.402 10 30 BEEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCCC(C)(C)C#N ZINC000602930163 349822366 /nfs/dbraw/zinc/82/23/66/349822366.db2.gz IPZABCPTKLPBMW-VXGBXAGGSA-N 1 1 224.348 2.162 10 30 BEEEMO CN(C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000234241649 343747428 /nfs/dbraw/zinc/74/74/28/343747428.db2.gz IADZCWQGFQGTTF-CYBMUJFWSA-N 1 1 237.391 2.342 10 30 BEEEMO C[NH+](C)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000234241649 343747429 /nfs/dbraw/zinc/74/74/29/343747429.db2.gz IADZCWQGFQGTTF-CYBMUJFWSA-N 1 1 237.391 2.342 10 30 BEEEMO N#CCC1(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291226 344138643 /nfs/dbraw/zinc/13/86/43/344138643.db2.gz RIXRMAHQWJLROV-HIFRSBDPSA-N 1 1 248.370 2.307 10 30 BEEEMO C#CC[N@H+](C)Cc1cc2cc(OC)ccc2n1C ZINC000029414051 344601840 /nfs/dbraw/zinc/60/18/40/344601840.db2.gz VIQUFMLYRNORQX-UHFFFAOYSA-N 1 1 242.322 2.252 10 30 BEEEMO Cc1cncc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000309703624 347144846 /nfs/dbraw/zinc/14/48/46/347144846.db2.gz NOIKFRVKPNVDEY-OLZOCXBDSA-N 1 1 215.300 2.172 10 30 BEEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1 ZINC000092631299 347214036 /nfs/dbraw/zinc/21/40/36/347214036.db2.gz DPUUBLRUXQQMBI-OAHLLOKOSA-N 1 1 243.354 2.479 10 30 BEEEMO CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cn1 ZINC000595690337 348315700 /nfs/dbraw/zinc/31/57/00/348315700.db2.gz QLHDFARRURQOJF-OLZOCXBDSA-N 1 1 232.331 2.075 10 30 BEEEMO C=C1CC[C@@H]2C(=C3CC=CC=C3[N@H+]2C)C1=O ZINC000220565064 350176195 /nfs/dbraw/zinc/17/61/95/350176195.db2.gz KYASXAOJLSBWBZ-GFCCVEGCSA-N 1 1 213.280 2.360 10 30 BEEEMO Cc1nn(CCC[C@](C)([NH3+])C#N)c(C)c1Cl ZINC000050588019 180387598 /nfs/dbraw/zinc/38/75/98/180387598.db2.gz HXEGQZHCUPSSIG-NSHDSACASA-N 1 1 240.738 2.175 10 30 BEEEMO CC(C)[N@H+]1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616596894 350638407 /nfs/dbraw/zinc/63/84/07/350638407.db2.gz DONRDZAAHARQJG-HNNXBMFYSA-N 1 1 244.338 2.382 10 30 BEEEMO N#C[C@]1(CC=C(Cl)Cl)CCC[NH2+]1 ZINC000403328056 350706391 /nfs/dbraw/zinc/70/63/91/350706391.db2.gz DVQOFAOOBBXMOC-MRVPVSSYSA-N 1 1 205.088 2.341 10 30 BEEEMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000397773247 350975256 /nfs/dbraw/zinc/97/52/56/350975256.db2.gz HQAUQCXIBGUKCJ-BFHYXJOUSA-N 1 1 236.359 2.163 10 30 BEEEMO C(C[N@H+]1CCC2(C1)CCCCC2)[C@@H]1CO1 ZINC000306769914 351000023 /nfs/dbraw/zinc/00/00/23/351000023.db2.gz BOHZNXRXHHYSBS-GFCCVEGCSA-N 1 1 209.333 2.432 10 30 BEEEMO C=CC1CC[NH+](Cc2nnc(C(C)C)n2C)CC1 ZINC000111256341 191130341 /nfs/dbraw/zinc/13/03/41/191130341.db2.gz WCUHPLYNXXTFQA-UHFFFAOYSA-N 1 1 248.374 2.337 10 30 BEEEMO N#Cc1cccc([C@H]2CCCCC[N@@H+]2CCO)c1 ZINC000616623187 351088602 /nfs/dbraw/zinc/08/86/02/351088602.db2.gz MLCKUPSZDSGMTL-OAHLLOKOSA-N 1 1 244.338 2.468 10 30 BEEEMO C[C@@H]1CC[N@@H+](CC2(C=O)CCCC2)[C@@H]1C ZINC000306857890 351183865 /nfs/dbraw/zinc/18/38/65/351183865.db2.gz YVJFDENKGUJGFL-VXGBXAGGSA-N 1 1 209.333 2.476 10 30 BEEEMO CCCCCCCOCC[C@H]([NH3+])C(=O)OCC ZINC000103785916 168655711 /nfs/dbraw/zinc/65/57/11/168655711.db2.gz GEAHJBBINDAGIQ-LBPRGKRZSA-N 1 1 245.363 2.254 10 30 BEEEMO C=C(C)CC(=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000168232913 351348355 /nfs/dbraw/zinc/34/83/55/351348355.db2.gz SPABPYAWAXOMTL-YOGCLGLASA-N 1 1 207.317 2.395 10 30 BEEEMO C#Cc1cccc(NCCn2cc[nH+]c2C)c1 ZINC000049329661 187869288 /nfs/dbraw/zinc/86/92/88/187869288.db2.gz OSCBCUGJOUQILS-UHFFFAOYSA-N 1 1 225.295 2.285 10 30 BEEEMO CC#CCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000231370345 538105940 /nfs/dbraw/zinc/10/59/40/538105940.db2.gz QYKFPTLQTHVFJH-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO CC#CCC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000231370345 538105941 /nfs/dbraw/zinc/10/59/41/538105941.db2.gz QYKFPTLQTHVFJH-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO CC#CCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000231370345 538105942 /nfs/dbraw/zinc/10/59/42/538105942.db2.gz QYKFPTLQTHVFJH-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCS1 ZINC000123384683 353153187 /nfs/dbraw/zinc/15/31/87/353153187.db2.gz MKQHFZBJYLOELU-JTQLQIEISA-N 1 1 210.346 2.118 10 30 BEEEMO ON=C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019436690 188107820 /nfs/dbraw/zinc/10/78/20/188107820.db2.gz ZXHNYPGROHTQDH-UHFFFAOYSA-N 1 1 222.263 2.252 10 30 BEEEMO C=CCn1c[nH+]c(-c2cccc(OC)c2)c1N ZINC000103499421 188224777 /nfs/dbraw/zinc/22/47/77/188224777.db2.gz ZPPPSNODPXAILM-UHFFFAOYSA-N 1 1 229.283 2.327 10 30 BEEEMO C#CCn1c[nH+]c(-c2cccc(OCC)c2)c1N ZINC000103500538 188224865 /nfs/dbraw/zinc/22/48/65/188224865.db2.gz XVAGQRYWXVNGPK-UHFFFAOYSA-N 1 1 241.294 2.164 10 30 BEEEMO N#CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1CO ZINC000055019812 181044902 /nfs/dbraw/zinc/04/49/02/181044902.db2.gz YIZJKDJKMYQQOR-CABCVRRESA-N 1 1 244.338 2.488 10 30 BEEEMO N#CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055019812 181044903 /nfs/dbraw/zinc/04/49/03/181044903.db2.gz YIZJKDJKMYQQOR-CABCVRRESA-N 1 1 244.338 2.488 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+][C@H](CO)c1ccccc1 ZINC000063002156 181068774 /nfs/dbraw/zinc/06/87/74/181068774.db2.gz IPTYXMLZACANIQ-HZSPNIEDSA-N 1 1 230.311 2.002 10 30 BEEEMO N#Cc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749316 181107223 /nfs/dbraw/zinc/10/72/23/181107223.db2.gz UOSPWSCPYNDKBB-GOOCMWNKSA-N 1 1 241.338 2.012 10 30 BEEEMO C[C@@H]1CCC[N@@H+](Cc2nn(C)cc2CC#N)[C@H]1C ZINC000675056561 538478574 /nfs/dbraw/zinc/47/85/74/538478574.db2.gz RVYBEQNCAXEYIQ-NEPJUHHUSA-N 1 1 246.358 2.107 10 30 BEEEMO COCC#C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000584595444 358253118 /nfs/dbraw/zinc/25/31/18/358253118.db2.gz VARCASWVAOGDNI-CYBMUJFWSA-N 1 1 217.312 2.157 10 30 BEEEMO C=CC[C@H]1C[N@@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000584636815 358321562 /nfs/dbraw/zinc/32/15/62/358321562.db2.gz FYFGTPYBZJGNFF-LSDHHAIUSA-N 1 1 231.339 2.402 10 30 BEEEMO C=CC[N@@H+]1CCC2(C1)C[C@@H](C)O[C@H](C)C2 ZINC000584640914 358327269 /nfs/dbraw/zinc/32/72/69/358327269.db2.gz QZZBKYVXZJMYTO-VXGBXAGGSA-N 1 1 209.333 2.452 10 30 BEEEMO N#CCCCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127945273 358568059 /nfs/dbraw/zinc/56/80/59/358568059.db2.gz HGELRCIKVDDEQT-KBPBESRZSA-N 1 1 236.359 2.307 10 30 BEEEMO Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000129770094 358596041 /nfs/dbraw/zinc/59/60/41/358596041.db2.gz PNEQWGHJVHLXMO-AAEUAGOBSA-N 1 1 215.300 2.172 10 30 BEEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054823501 358876331 /nfs/dbraw/zinc/87/63/31/358876331.db2.gz NHSICOLCZGCFLE-TZMCWYRMSA-N 1 1 230.311 2.477 10 30 BEEEMO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]12CO2 ZINC000306196713 359025278 /nfs/dbraw/zinc/02/52/78/359025278.db2.gz LBISXHXPNOWRKD-YPMHNXCESA-N 1 1 203.285 2.050 10 30 BEEEMO C#CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247534161 359231797 /nfs/dbraw/zinc/23/17/97/359231797.db2.gz OMVBQGQPSRVXSR-HUUCEWRRSA-N 1 1 229.323 2.208 10 30 BEEEMO C=C(C)CC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000351880205 366543210 /nfs/dbraw/zinc/54/32/10/366543210.db2.gz WVVSSYJWZIMWGB-CYBMUJFWSA-N 1 1 208.349 2.123 10 30 BEEEMO C=C(C)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000351880205 366543218 /nfs/dbraw/zinc/54/32/18/366543218.db2.gz WVVSSYJWZIMWGB-CYBMUJFWSA-N 1 1 208.349 2.123 10 30 BEEEMO C=C(C)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000351880205 366543226 /nfs/dbraw/zinc/54/32/26/366543226.db2.gz WVVSSYJWZIMWGB-CYBMUJFWSA-N 1 1 208.349 2.123 10 30 BEEEMO CC(C)(C#N)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439490 360308444 /nfs/dbraw/zinc/30/84/44/360308444.db2.gz IGPXALBTVPTFDY-CYBMUJFWSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(C#N)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000094439490 360308449 /nfs/dbraw/zinc/30/84/49/360308449.db2.gz IGPXALBTVPTFDY-CYBMUJFWSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(C#N)CC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000094439490 360308453 /nfs/dbraw/zinc/30/84/53/360308453.db2.gz IGPXALBTVPTFDY-CYBMUJFWSA-N 1 1 235.375 2.096 10 30 BEEEMO CC#CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000162004204 360453598 /nfs/dbraw/zinc/45/35/98/360453598.db2.gz IHLLHLYTFXZWLO-MRVPVSSYSA-N 1 1 208.330 2.434 10 30 BEEEMO [NH3+]CC#Cc1ccc(CN2CCCCC2)c(F)c1 ZINC000049608672 181346499 /nfs/dbraw/zinc/34/64/99/181346499.db2.gz HCVGJHXIBYGWFF-UHFFFAOYSA-N 1 1 246.329 2.122 10 30 BEEEMO O=C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000054219149 369061934 /nfs/dbraw/zinc/06/19/34/369061934.db2.gz PBJNQMKUMFMVDP-JTQLQIEISA-N 1 1 209.314 2.159 10 30 BEEEMO C=CCCC[N@@H+](C)Cc1nc(CC)no1 ZINC000117877812 370978757 /nfs/dbraw/zinc/97/87/57/370978757.db2.gz AHBCHGZFDDVMDX-UHFFFAOYSA-N 1 1 209.293 2.030 10 30 BEEEMO C=CCCC[N@H+](C)Cc1nc(CC)no1 ZINC000117877812 370978763 /nfs/dbraw/zinc/97/87/63/370978763.db2.gz AHBCHGZFDDVMDX-UHFFFAOYSA-N 1 1 209.293 2.030 10 30 BEEEMO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000092330819 371091972 /nfs/dbraw/zinc/09/19/72/371091972.db2.gz GGQXZONRFRUMPH-JSGCOSHPSA-N 1 1 246.358 2.209 10 30 BEEEMO C#CC[NH2+][C@H](C)c1ccc(Br)o1 ZINC000131602506 371630090 /nfs/dbraw/zinc/63/00/90/371630090.db2.gz VSXNGBKIWJDTLY-SSDOTTSWSA-N 1 1 228.089 2.326 10 30 BEEEMO CCC[N@@H+](CC)Cc1ccc(C#CCO)cc1F ZINC000049617332 169128712 /nfs/dbraw/zinc/12/87/12/169128712.db2.gz UGMLRGRHRRXPPO-UHFFFAOYSA-N 1 1 249.329 2.401 10 30 BEEEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336255172 384184512 /nfs/dbraw/zinc/18/45/12/384184512.db2.gz XSTHNHTYOHNHHR-QMTHXVAHSA-N 1 1 248.301 2.043 10 30 BEEEMO CC[C@](C)(O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000119383921 384236707 /nfs/dbraw/zinc/23/67/07/384236707.db2.gz LGSOKZALEHPMOG-AWEZNQCLSA-N 1 1 232.327 2.151 10 30 BEEEMO CC#CC[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000119377324 384359930 /nfs/dbraw/zinc/35/99/30/384359930.db2.gz VKECLDHFJVIEFO-ZDUSSCGKSA-N 1 1 209.333 2.291 10 30 BEEEMO CC#CCC[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000155401072 384721800 /nfs/dbraw/zinc/72/18/00/384721800.db2.gz CEPMOYJBDMIBQZ-CYBMUJFWSA-N 1 1 247.342 2.046 10 30 BEEEMO CC#CCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000155557612 384734568 /nfs/dbraw/zinc/73/45/68/384734568.db2.gz TYKRZEJZLCZWFK-CQSZACIVSA-N 1 1 245.370 2.496 10 30 BEEEMO CC#CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000155751457 384754428 /nfs/dbraw/zinc/75/44/28/384754428.db2.gz IPDHSEDZIBWCDH-AWEZNQCLSA-N 1 1 243.354 2.229 10 30 BEEEMO CC#CCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000156637617 384901676 /nfs/dbraw/zinc/90/16/76/384901676.db2.gz UYMLPFJONAWJIG-ZDUSSCGKSA-N 1 1 217.316 2.350 10 30 BEEEMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCOC1 ZINC000119745605 384918389 /nfs/dbraw/zinc/91/83/89/384918389.db2.gz PQZFKRRPGYWALJ-NSHDSACASA-N 1 1 234.299 2.010 10 30 BEEEMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCO1 ZINC000119787583 384947718 /nfs/dbraw/zinc/94/77/18/384947718.db2.gz IUQVRGNRNNKWIK-ZDUSSCGKSA-N 1 1 248.301 2.308 10 30 BEEEMO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1C#N ZINC000616598341 385871421 /nfs/dbraw/zinc/87/14/21/385871421.db2.gz KZZXGFXQTNUVFG-CQSZACIVSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[N@H+]1CCOCC[C@@H]1c1ccccc1C#N ZINC000616598341 385871426 /nfs/dbraw/zinc/87/14/26/385871426.db2.gz KZZXGFXQTNUVFG-CQSZACIVSA-N 1 1 230.311 2.342 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1ccsc1Br ZINC000575492172 387276756 /nfs/dbraw/zinc/27/67/56/387276756.db2.gz ZVCIFFUZRKKOPN-SSDOTTSWSA-N 1 1 230.130 2.404 10 30 BEEEMO C=CC[C@H](Cc1ccccc1)NC1=[NH+]CCO1 ZINC000584626881 387503902 /nfs/dbraw/zinc/50/39/02/387503902.db2.gz IEEIHCPYLMHGFY-CYBMUJFWSA-N 1 1 230.311 2.150 10 30 BEEEMO O/[N+](=C\c1ccccn1)Cc1ccccc1 ZINC000575732057 387475390 /nfs/dbraw/zinc/47/53/90/387475390.db2.gz ARTAIXJXPLCQFJ-PTNGSMBKSA-N 1 1 213.260 2.102 10 30 BEEEMO C[N@H+]1CCC[C@H]2CN(CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121955 /nfs/dbraw/zinc/12/19/55/134121955.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 1 1 247.386 2.096 10 30 BEEEMO C[C@H]1C[C@H]([N@@H+](C)CCCCC#N)CCN1C ZINC000123446847 134243714 /nfs/dbraw/zinc/24/37/14/134243714.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 1 1 223.364 2.095 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000071373560 134931156 /nfs/dbraw/zinc/93/11/56/134931156.db2.gz CDDNGUFDZYOADU-YPMHNXCESA-N 1 1 240.310 2.116 10 30 BEEEMO CC#CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248387786 135002024 /nfs/dbraw/zinc/00/20/24/135002024.db2.gz BVPDOTGSVMNYON-CHWSQXEVSA-N 1 1 207.317 2.043 10 30 BEEEMO CC#CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248397967 135005259 /nfs/dbraw/zinc/00/52/59/135005259.db2.gz SOVCHFDFOKSDBB-UONOGXRCSA-N 1 1 221.344 2.027 10 30 BEEEMO C=CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000248408013 135006385 /nfs/dbraw/zinc/00/63/85/135006385.db2.gz VBWAUTGGWCJIEB-CQSZACIVSA-N 1 1 216.328 2.161 10 30 BEEEMO C=CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000248408013 135006387 /nfs/dbraw/zinc/00/63/87/135006387.db2.gz VBWAUTGGWCJIEB-CQSZACIVSA-N 1 1 216.328 2.161 10 30 BEEEMO C=CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000248408013 135006388 /nfs/dbraw/zinc/00/63/88/135006388.db2.gz VBWAUTGGWCJIEB-CQSZACIVSA-N 1 1 216.328 2.161 10 30 BEEEMO CCCCCC[N@H+]1CCCC[C@H]1/C(N)=N/O ZINC000070662772 135007165 /nfs/dbraw/zinc/00/71/65/135007165.db2.gz LXVBMCMXVFSUKQ-NSHDSACASA-N 1 1 227.352 2.168 10 30 BEEEMO N#CC1(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000337290987 135010354 /nfs/dbraw/zinc/01/03/54/135010354.db2.gz OEPXHJYQNFKNJX-MGPQQGTHSA-N 1 1 248.370 2.306 10 30 BEEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCCC#N ZINC000252661853 135094505 /nfs/dbraw/zinc/09/45/05/135094505.db2.gz QIZUOCUILZZCJJ-KBPBESRZSA-N 1 1 235.375 2.239 10 30 BEEEMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCCCC#N ZINC000252661853 135094507 /nfs/dbraw/zinc/09/45/07/135094507.db2.gz QIZUOCUILZZCJJ-KBPBESRZSA-N 1 1 235.375 2.239 10 30 BEEEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCCC#N ZINC000252661853 135094510 /nfs/dbraw/zinc/09/45/10/135094510.db2.gz QIZUOCUILZZCJJ-KBPBESRZSA-N 1 1 235.375 2.239 10 30 BEEEMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095991 135121385 /nfs/dbraw/zinc/12/13/85/135121385.db2.gz PTDVUQXRRAGMCW-BFHYXJOUSA-N 1 1 221.344 2.025 10 30 BEEEMO N#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253104284 135122497 /nfs/dbraw/zinc/12/24/97/135122497.db2.gz ZJUWVRCBYBEUGY-MCIONIFRSA-N 1 1 236.359 2.306 10 30 BEEEMO C=CC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F ZINC000121238455 135222073 /nfs/dbraw/zinc/22/20/73/135222073.db2.gz YRJKYPQGXQJRLO-GFCCVEGCSA-N 1 1 227.254 2.116 10 30 BEEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1O ZINC000061891087 398108061 /nfs/dbraw/zinc/10/80/61/398108061.db2.gz IRMLBABOBVKWDT-VXGBXAGGSA-N 1 1 246.310 2.183 10 30 BEEEMO C=CCCC[N@@H+](C)Cc1nnc(C)n1CC ZINC000172324545 166232729 /nfs/dbraw/zinc/23/27/29/166232729.db2.gz FKCGHGVJJZFYIQ-UHFFFAOYSA-N 1 1 222.336 2.004 10 30 BEEEMO C=CCCC[N@H+](C)Cc1nnc(C)n1CC ZINC000172324545 166232732 /nfs/dbraw/zinc/23/27/32/166232732.db2.gz FKCGHGVJJZFYIQ-UHFFFAOYSA-N 1 1 222.336 2.004 10 30 BEEEMO CC1CC[NH+](Cc2cccnc2C#N)CC1 ZINC000061664189 168184377 /nfs/dbraw/zinc/18/43/77/168184377.db2.gz CRQHSNIVUYNIFU-UHFFFAOYSA-N 1 1 215.300 2.185 10 30 BEEEMO CC[C@@](C)(O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000119384065 171178919 /nfs/dbraw/zinc/17/89/19/171178919.db2.gz LGSOKZALEHPMOG-CQSZACIVSA-N 1 1 232.327 2.151 10 30 BEEEMO CC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617223 171308747 /nfs/dbraw/zinc/30/87/47/171308747.db2.gz UIWZTFFOGMEMFU-LBPRGKRZSA-N 1 1 249.329 2.400 10 30 BEEEMO CC[C@H](C)[N@H+](C)Cc1cccnc1C#N ZINC000061664284 171310140 /nfs/dbraw/zinc/31/01/40/171310140.db2.gz VRSYTLRZKSKQIU-JTQLQIEISA-N 1 1 203.289 2.184 10 30 BEEEMO CC[C@H](C)[N@@H+](C)Cc1cccnc1C#N ZINC000061664284 171310142 /nfs/dbraw/zinc/31/01/42/171310142.db2.gz VRSYTLRZKSKQIU-JTQLQIEISA-N 1 1 203.289 2.184 10 30 BEEEMO C[N@H+]1CCC[C@@H](Nc2ccccc2C#N)C1 ZINC000040673584 173022349 /nfs/dbraw/zinc/02/23/49/173022349.db2.gz DXFCWRVLNVREFA-GFCCVEGCSA-N 1 1 215.300 2.064 10 30 BEEEMO C[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000075906572 173023364 /nfs/dbraw/zinc/02/33/64/173023364.db2.gz KCEATTCFAFJEFN-CYBMUJFWSA-N 1 1 200.285 2.367 10 30 BEEEMO C[N@H+]1CCC[C@H](Nc2ccccc2C#N)C1 ZINC000040673583 173046090 /nfs/dbraw/zinc/04/60/90/173046090.db2.gz DXFCWRVLNVREFA-LBPRGKRZSA-N 1 1 215.300 2.064 10 30 BEEEMO C[N@H+]1CC[C@H](CNc2ccc(F)cc2C#N)C1 ZINC000104417576 173146713 /nfs/dbraw/zinc/14/67/13/173146713.db2.gz BEEQMORIDQZMFJ-SNVBAGLBSA-N 1 1 233.290 2.061 10 30 BEEEMO COCCC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1C#N ZINC000062031469 174220185 /nfs/dbraw/zinc/22/01/85/174220185.db2.gz KKAQJFIZMAPTQV-RWMBFGLXSA-N 1 1 224.348 2.283 10 30 BEEEMO COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000042616470 174302931 /nfs/dbraw/zinc/30/29/31/174302931.db2.gz MJCCGZGQMLPVOM-IACUBPJLSA-N 1 1 236.359 2.426 10 30 BEEEMO COc1ccccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000054823110 175331440 /nfs/dbraw/zinc/33/14/40/175331440.db2.gz ZNZNMNSIUVTZTK-AAEUAGOBSA-N 1 1 230.311 2.477 10 30 BEEEMO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000042454889 176018598 /nfs/dbraw/zinc/01/85/98/176018598.db2.gz QOUHAVFYKOCHQW-QWRGUYRKSA-N 1 1 217.316 2.421 10 30 BEEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000042454889 176018600 /nfs/dbraw/zinc/01/86/00/176018600.db2.gz QOUHAVFYKOCHQW-QWRGUYRKSA-N 1 1 217.316 2.421 10 30 BEEEMO C[C@@H]1CCCC[N@@H+]1CCCNCCCC#N ZINC000020047895 176071959 /nfs/dbraw/zinc/07/19/59/176071959.db2.gz QLGHTGQBGXGNCB-CYBMUJFWSA-N 1 1 223.364 2.144 10 30 BEEEMO C[C@@H]1CCCC[N@H+]1CCCNCCCC#N ZINC000020047895 176071961 /nfs/dbraw/zinc/07/19/61/176071961.db2.gz QLGHTGQBGXGNCB-CYBMUJFWSA-N 1 1 223.364 2.144 10 30 BEEEMO C[C@@H]1CCC[N@H+]1Cc1ccccc1C#CCO ZINC000049615222 176109501 /nfs/dbraw/zinc/10/95/01/176109501.db2.gz MQNHPZKNMQAGBC-CYBMUJFWSA-N 1 1 229.323 2.015 10 30 BEEEMO C[C@@H]1CC[N@@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049613633 176176193 /nfs/dbraw/zinc/17/61/93/176176193.db2.gz RFGBAOPGUMXSTG-CQSZACIVSA-N 1 1 243.350 2.262 10 30 BEEEMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000077367501 176347059 /nfs/dbraw/zinc/34/70/59/176347059.db2.gz DDCGJXYAYDVKIK-VXGBXAGGSA-N 1 1 230.311 2.167 10 30 BEEEMO C[C@@H](C#N)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000054180088 176856531 /nfs/dbraw/zinc/85/65/31/176856531.db2.gz TWMAIRKEWGYDJG-UWVGGRQHSA-N 1 1 204.273 2.202 10 30 BEEEMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1sccc1C#CCO ZINC000104413755 177342361 /nfs/dbraw/zinc/34/23/61/177342361.db2.gz MDTZJJNRWVZRRY-WCQYABFASA-N 1 1 249.379 2.180 10 30 BEEEMO C=C(Cl)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023454 534440751 /nfs/dbraw/zinc/44/07/51/534440751.db2.gz QAPCXFKALIISNV-NEPJUHHUSA-N 1 1 229.751 2.366 10 30 BEEEMO C=CCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000177141846 534667489 /nfs/dbraw/zinc/66/74/89/534667489.db2.gz UIONOZPUGBBLGZ-OLZOCXBDSA-N 1 1 238.375 2.188 10 30 BEEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)OCCC ZINC000121734440 534714008 /nfs/dbraw/zinc/71/40/08/534714008.db2.gz HLLGGTVFTSKWTK-LLVKDONJSA-N 1 1 213.321 2.226 10 30 BEEEMO C[C@H]1[NH2+]CCC[C@]12CCCN2CCCCC#N ZINC000757132992 582508841 /nfs/dbraw/zinc/50/88/41/582508841.db2.gz SIFCUJMVFFMROK-KGLIPLIRSA-N 1 1 235.375 2.287 10 30 BEEEMO C#CC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000121211907 589517839 /nfs/dbraw/zinc/51/78/39/589517839.db2.gz LGNARJBLENGEFE-CHWSQXEVSA-N 1 1 221.344 2.289 10 30 BEEEMO CC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000126275342 590263161 /nfs/dbraw/zinc/26/31/61/590263161.db2.gz VYGHQUCXSUOTKI-LLVKDONJSA-N 1 1 218.300 2.429 10 30 BEEEMO C=CC[N@H+](C)C[C@@H](O)c1ccccc1C ZINC000127140927 590575517 /nfs/dbraw/zinc/57/55/17/590575517.db2.gz MUKIKBNQOWXJRQ-CYBMUJFWSA-N 1 1 205.301 2.146 10 30 BEEEMO C=CC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000210836144 591006352 /nfs/dbraw/zinc/00/63/52/591006352.db2.gz FCJFYXCQVUCDHQ-UONOGXRCSA-N 1 1 217.312 2.370 10 30 BEEEMO C#CCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000300409567 592511696 /nfs/dbraw/zinc/51/16/96/592511696.db2.gz IUDMLGQUSYOAIU-CABCVRRESA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@H+]1C[C@@H]2CCCCN2C[C@H]1CC ZINC000300409567 592511697 /nfs/dbraw/zinc/51/16/97/592511697.db2.gz IUDMLGQUSYOAIU-CABCVRRESA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1CC ZINC000300409567 592511700 /nfs/dbraw/zinc/51/17/00/592511700.db2.gz IUDMLGQUSYOAIU-CABCVRRESA-N 1 1 234.387 2.349 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000158764068 632484802 /nfs/dbraw/zinc/48/48/02/632484802.db2.gz LDMBZHJBXCYIPK-SKDRFNHKSA-N 1 1 234.274 2.313 10 30 BEEEMO C=C(Br)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000306294680 642735687 /nfs/dbraw/zinc/73/56/87/642735687.db2.gz YGSNQPNWSDVUEZ-BDAKNGLRSA-N 1 1 216.122 2.379 10 30 BEEEMO C=C(Br)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000306294680 642735694 /nfs/dbraw/zinc/73/56/94/642735694.db2.gz YGSNQPNWSDVUEZ-BDAKNGLRSA-N 1 1 216.122 2.379 10 30 BEEEMO C=C[C@@H](C)OCC(F)(F)C[NH2+]C(C)C ZINC000685956006 538901901 /nfs/dbraw/zinc/90/19/01/538901901.db2.gz IJXYMPFCAVCORM-SECBINFHSA-N 1 1 207.264 2.211 10 30 BEEEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335595627 398214148 /nfs/dbraw/zinc/21/41/48/398214148.db2.gz FNZGGAUAOKMZOB-MFKMUULPSA-N 1 1 248.301 2.043 10 30 BEEEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000335595627 398214150 /nfs/dbraw/zinc/21/41/50/398214150.db2.gz FNZGGAUAOKMZOB-MFKMUULPSA-N 1 1 248.301 2.043 10 30 BEEEMO CCCCCCCCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000192137367 136220940 /nfs/dbraw/zinc/22/09/40/136220940.db2.gz NSLIQUOYBFSZTG-ZIAGYGMSSA-N 1 1 243.391 2.165 10 30 BEEEMO C[C@@H](C#N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000035180685 342885094 /nfs/dbraw/zinc/88/50/94/342885094.db2.gz QLEQHHDUHFVTMC-GXFFZTMASA-N 1 1 200.285 2.423 10 30 BEEEMO C[N@@H+](CCc1ccncc1)[C@H]1CCC[C@@H]1C#N ZINC000048260069 343054887 /nfs/dbraw/zinc/05/48/87/343054887.db2.gz JBUWEPFCBUPOBE-KGLIPLIRSA-N 1 1 229.327 2.248 10 30 BEEEMO CC[N@H+]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 ZINC000043395625 343062724 /nfs/dbraw/zinc/06/27/24/343062724.db2.gz CDOWFZQBPNMJHZ-ZDUSSCGKSA-N 1 1 244.342 2.158 10 30 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N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000597195588 348672095 /nfs/dbraw/zinc/67/20/95/348672095.db2.gz KQRVBHYKIHGQJQ-WCQYABFASA-N 1 1 244.342 2.001 10 30 BEEEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCCC(C)(C)C#N ZINC000399242534 323201181 /nfs/dbraw/zinc/20/11/81/323201181.db2.gz MQQWLYCJOHKTNZ-NWDGAFQWSA-N 1 1 224.348 2.162 10 30 BEEEMO Cc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000599298963 349140247 /nfs/dbraw/zinc/14/02/47/349140247.db2.gz CANLPONWWQAJBE-BETUJISGSA-N 1 1 244.338 2.476 10 30 BEEEMO Cc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000599298963 349140248 /nfs/dbraw/zinc/14/02/48/349140248.db2.gz CANLPONWWQAJBE-BETUJISGSA-N 1 1 244.338 2.476 10 30 BEEEMO OC[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365272657 350201172 /nfs/dbraw/zinc/20/11/72/350201172.db2.gz XVWAOMBEMIQLAO-MRXNPFEDSA-N 1 1 243.350 2.133 10 30 BEEEMO N#Cc1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616603204 350789049 /nfs/dbraw/zinc/78/90/49/350789049.db2.gz CRGSBMWFFPECAQ-HNNXBMFYSA-N 1 1 244.338 2.120 10 30 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C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(C)(C)C#N ZINC000094446041 353513123 /nfs/dbraw/zinc/51/31/23/353513123.db2.gz ZLWFFQIGVYOLMX-ZIAGYGMSSA-N 1 1 249.402 2.485 10 30 BEEEMO C#CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134846272 353516808 /nfs/dbraw/zinc/51/68/08/353516808.db2.gz POPRGGBFFWMPFO-CQSZACIVSA-N 1 1 245.297 2.496 10 30 BEEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000061891482 181061089 /nfs/dbraw/zinc/06/10/89/181061089.db2.gz PKEXJUSDNYQTCR-WCQYABFASA-N 1 1 216.284 2.174 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000054825510 181069193 /nfs/dbraw/zinc/06/91/93/181069193.db2.gz XWGXFAJJTQKKQI-YPMHNXCESA-N 1 1 245.282 2.377 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+][C@@H](CO)c1ccccc1 ZINC000063002155 181069477 /nfs/dbraw/zinc/06/94/77/181069477.db2.gz IPTYXMLZACANIQ-MCIONIFRSA-N 1 1 230.311 2.002 10 30 BEEEMO N#Cc1c(N)[nH+]ccc1NC1CCCCC1 ZINC000033882458 181078321 /nfs/dbraw/zinc/07/83/21/181078321.db2.gz XQHDQWVSSVBRDQ-UHFFFAOYSA-N 1 1 216.288 2.280 10 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249.402 2.485 10 30 BEEEMO C[C@@H](CS)C[N@H+]1CCSC[C@@H](C)C1 ZINC000306560242 360435009 /nfs/dbraw/zinc/43/50/09/360435009.db2.gz RLASMISZPSWDCF-ZJUUUORDSA-N 1 1 219.419 2.237 10 30 BEEEMO C=CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000162125729 361336915 /nfs/dbraw/zinc/33/69/15/361336915.db2.gz FDCCZHUCNZRBJE-CHWSQXEVSA-N 1 1 208.349 2.121 10 30 BEEEMO CCCCCCCCOC(=O)[C@@H](C)[NH3+] ZINC000104192759 368288131 /nfs/dbraw/zinc/28/81/31/368288131.db2.gz SRWADIQTOZZKAT-SNVBAGLBSA-N 1 1 201.310 2.237 10 30 BEEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251902703 369980743 /nfs/dbraw/zinc/98/07/43/369980743.db2.gz WNSIQDTVJRUVSS-KGLIPLIRSA-N 1 1 247.386 2.239 10 30 BEEEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CC1(CC#N)CC1 ZINC000251902703 369980749 /nfs/dbraw/zinc/98/07/49/369980749.db2.gz WNSIQDTVJRUVSS-KGLIPLIRSA-N 1 1 247.386 2.239 10 30 BEEEMO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CO1 ZINC000002386021 370426818 /nfs/dbraw/zinc/42/68/18/370426818.db2.gz CTOXXLRUDZFYNZ-CYBMUJFWSA-N 1 1 205.301 2.296 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CCC[N@@H+](C/C(N)=N/O)[C@H]1CCCC[C@@H]1CC ZINC000104381485 169089731 /nfs/dbraw/zinc/08/97/31/169089731.db2.gz JWHJTPFJJJWRBE-RYUDHWBXSA-N 1 1 241.379 2.414 10 30 BEEEMO CCC[N@@H+](CC1CC1)C[C@]1(C=O)CCCOC1 ZINC000104323064 169138387 /nfs/dbraw/zinc/13/83/87/169138387.db2.gz BQNXIUYTRFRHLV-AWEZNQCLSA-N 1 1 239.359 2.104 10 30 BEEEMO CCC[C@@](C)(C=O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000051178076 169445759 /nfs/dbraw/zinc/44/57/59/169445759.db2.gz IJWVXMUDCKPXHV-UONOGXRCSA-N 1 1 241.375 2.493 10 30 BEEEMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000042338131 384213731 /nfs/dbraw/zinc/21/37/31/384213731.db2.gz GISDEDRKBVZEED-ZDUSSCGKSA-N 1 1 248.301 2.308 10 30 BEEEMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000042338131 384213740 /nfs/dbraw/zinc/21/37/40/384213740.db2.gz GISDEDRKBVZEED-ZDUSSCGKSA-N 1 1 248.301 2.308 10 30 BEEEMO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000042338127 384215151 /nfs/dbraw/zinc/21/51/51/384215151.db2.gz QJZCBPYJGWSDAP-AWEZNQCLSA-N 1 1 230.311 2.169 10 30 BEEEMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000042338127 384215157 /nfs/dbraw/zinc/21/51/57/384215157.db2.gz QJZCBPYJGWSDAP-AWEZNQCLSA-N 1 1 230.311 2.169 10 30 BEEEMO C=C(C)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188143062 384363004 /nfs/dbraw/zinc/36/30/04/384363004.db2.gz GEHNXZSTRPOBRQ-STQMWFEESA-N 1 1 237.368 2.332 10 30 BEEEMO Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309836551 384660465 /nfs/dbraw/zinc/66/04/65/384660465.db2.gz BJARLADFOGDJCB-DGCLKSJQSA-N 1 1 215.300 2.172 10 30 BEEEMO O=CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000107145288 384951592 /nfs/dbraw/zinc/95/15/92/384951592.db2.gz FLBZZWJMNUTZIP-CYBMUJFWSA-N 1 1 203.285 2.098 10 30 BEEEMO C[C@H]1C[C@](C#N)(NCc2ccccc2)CC[N@H+]1C ZINC000156443814 385279470 /nfs/dbraw/zinc/27/94/70/385279470.db2.gz MCNUUXNXPPCDSP-DZGCQCFKSA-N 1 1 243.354 2.153 10 30 BEEEMO CC#CC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000119287093 385622427 /nfs/dbraw/zinc/62/24/27/385622427.db2.gz KQDWCWNGUMSZOO-ZDUSSCGKSA-N 1 1 231.343 2.106 10 30 BEEEMO C=C(Cl)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000124327603 386025718 /nfs/dbraw/zinc/02/57/18/386025718.db2.gz KHEFJKRKTPPHSL-VXGBXAGGSA-N 1 1 228.767 2.298 10 30 BEEEMO C=CCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000125398235 386251085 /nfs/dbraw/zinc/25/10/85/386251085.db2.gz XNFKAJGIIXMXFZ-CHWSQXEVSA-N 1 1 208.349 2.121 10 30 BEEEMO C=CCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000125398235 386251092 /nfs/dbraw/zinc/25/10/92/386251092.db2.gz XNFKAJGIIXMXFZ-CHWSQXEVSA-N 1 1 208.349 2.121 10 30 BEEEMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)o1 ZINC000120820532 386945059 /nfs/dbraw/zinc/94/50/59/386945059.db2.gz AKYYUKKKUZVYGP-UHFFFAOYSA-N 1 1 241.294 2.221 10 30 BEEEMO CC(C)(C#N)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398796616 386994207 /nfs/dbraw/zinc/99/42/07/386994207.db2.gz PRRNEOAMFGYLFY-YNEHKIRRSA-N 1 1 236.359 2.019 10 30 BEEEMO C=CC1([N@@H+]2CCC[C@@H](C)C2)CCNCC1 ZINC000536954894 387167266 /nfs/dbraw/zinc/16/72/66/387167266.db2.gz OQWRKVGEVQGJPQ-GFCCVEGCSA-N 1 1 208.349 2.027 10 30 BEEEMO C=CC1([N@H+]2CCC[C@@H](C)C2)CCNCC1 ZINC000536954894 387167271 /nfs/dbraw/zinc/16/72/71/387167271.db2.gz OQWRKVGEVQGJPQ-GFCCVEGCSA-N 1 1 208.349 2.027 10 30 BEEEMO Cc1cc(C#N)ccc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000186239011 387533878 /nfs/dbraw/zinc/53/38/78/387533878.db2.gz HLMPTPHADMZTBW-BETUJISGSA-N 1 1 244.338 2.476 10 30 BEEEMO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000186239011 387533883 /nfs/dbraw/zinc/53/38/83/387533883.db2.gz HLMPTPHADMZTBW-BETUJISGSA-N 1 1 244.338 2.476 10 30 BEEEMO CC(C)(CCC#N)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245746968 387981296 /nfs/dbraw/zinc/98/12/96/387981296.db2.gz MZGKDSUKTDOHDC-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(CCC#N)C[N@@H+]1CCN2CCC[C@H]2C1 ZINC000245746968 387981297 /nfs/dbraw/zinc/98/12/97/387981297.db2.gz MZGKDSUKTDOHDC-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO CC(C)(CCC#N)C[N@H+]1CCN2CCC[C@H]2C1 ZINC000245746968 387981300 /nfs/dbraw/zinc/98/13/00/387981300.db2.gz MZGKDSUKTDOHDC-ZDUSSCGKSA-N 1 1 235.375 2.096 10 30 BEEEMO 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C[N@H+]1CCC[C@H]1COc1cccc(C#N)c1 ZINC000026377208 173055848 /nfs/dbraw/zinc/05/58/48/173055848.db2.gz QEAVZJBKMAPKIC-LBPRGKRZSA-N 1 1 216.284 2.031 10 30 BEEEMO C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934412 173094230 /nfs/dbraw/zinc/09/42/30/173094230.db2.gz MLBHWENVLKWPMV-CYBMUJFWSA-N 1 1 249.745 2.152 10 30 BEEEMO C[C@@H]1CCC[N@@H+](CC[C@@H](C#N)NC2CC2)[C@@H]1C ZINC000062438698 176098676 /nfs/dbraw/zinc/09/86/76/176098676.db2.gz MRRZRXJXBZKFTP-BZPMIXESSA-N 1 1 235.375 2.141 10 30 BEEEMO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000037911500 176109101 /nfs/dbraw/zinc/10/91/01/176109101.db2.gz GMEKKLVAVHSQKH-LLVKDONJSA-N 1 1 228.295 2.225 10 30 BEEEMO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000037911500 176109103 /nfs/dbraw/zinc/10/91/03/176109103.db2.gz GMEKKLVAVHSQKH-LLVKDONJSA-N 1 1 228.295 2.225 10 30 BEEEMO C[C@@H]1CCC[N@H+]1Cc1ccccc1C#CCCO ZINC000049615189 176109853 /nfs/dbraw/zinc/10/98/53/176109853.db2.gz BXOAGKBKLDDFHQ-CQSZACIVSA-N 1 1 243.350 2.405 10 30 BEEEMO C[C@H](C#N)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000054181519 176553825 /nfs/dbraw/zinc/55/38/25/176553825.db2.gz FVEKXTKHHYAXCR-LLVKDONJSA-N 1 1 246.310 2.097 10 30 BEEEMO C[C@@H]([NH2+]C[C@H](C)C#N)c1cccc(C#N)c1 ZINC000054181392 176553885 /nfs/dbraw/zinc/55/38/85/176553885.db2.gz YIUJUEXBOIFWRO-GHMZBOCLSA-N 1 1 213.284 2.369 10 30 BEEEMO C[C@H]1CCCC[N@H+]1Cc1cccc(C#CCO)c1 ZINC000049615742 177077017 /nfs/dbraw/zinc/07/70/17/177077017.db2.gz RWYJXEZSDMTRJM-AWEZNQCLSA-N 1 1 243.350 2.405 10 30 BEEEMO C[C@H]1CCC[N@H+]1Cc1ccc(C#CCO)cc1 ZINC000049615231 177111229 /nfs/dbraw/zinc/11/12/29/177111229.db2.gz AZJQPGWUONDTHE-ZDUSSCGKSA-N 1 1 229.323 2.015 10 30 BEEEMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000120880891 177299315 /nfs/dbraw/zinc/29/93/15/177299315.db2.gz KNSJAUDCGSPYKR-TXEJJXNPSA-N 1 1 230.311 2.167 10 30 BEEEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000120880891 177299316 /nfs/dbraw/zinc/29/93/16/177299316.db2.gz KNSJAUDCGSPYKR-TXEJJXNPSA-N 1 1 230.311 2.167 10 30 BEEEMO C=C(CC)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398833426 262771242 /nfs/dbraw/zinc/77/12/42/262771242.db2.gz IENFLZUKMFTUES-AVGNSLFASA-N 1 1 209.333 2.045 10 30 BEEEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000399333275 267221875 /nfs/dbraw/zinc/22/18/75/267221875.db2.gz ZGOMMYOAHWGHFK-GXFFZTMASA-N 1 1 248.301 2.043 10 30 BEEEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(C#N)c1F ZINC000399333275 267221877 /nfs/dbraw/zinc/22/18/77/267221877.db2.gz ZGOMMYOAHWGHFK-GXFFZTMASA-N 1 1 248.301 2.043 10 30 BEEEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCC(C)(C)C#N ZINC000399242538 323201197 /nfs/dbraw/zinc/20/11/97/323201197.db2.gz MQQWLYCJOHKTNZ-RYUDHWBXSA-N 1 1 224.348 2.162 10 30 BEEEMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000133306288 325285222 /nfs/dbraw/zinc/28/52/22/325285222.db2.gz CYSRRCQMYGUZLF-UHFFFAOYSA-N 1 1 240.310 2.190 10 30 BEEEMO C=CCCCN(C)c1cc(CO)cc(C)[nH+]1 ZINC000220295732 487496062 /nfs/dbraw/zinc/49/60/62/487496062.db2.gz KYKAMSVXGFAAIQ-UHFFFAOYSA-N 1 1 220.316 2.285 10 30 BEEEMO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000400533831 533975635 /nfs/dbraw/zinc/97/56/35/533975635.db2.gz SMABOMDRYWCVOX-HUBLWGQQSA-N 1 1 243.354 2.207 10 30 BEEEMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119489487 534616124 /nfs/dbraw/zinc/61/61/24/534616124.db2.gz CAUZQIFWZALYAM-CYBMUJFWSA-N 1 1 238.375 2.189 10 30 BEEEMO C=CCCCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176410632 534647171 /nfs/dbraw/zinc/64/71/71/534647171.db2.gz GFQZHIPWDCEIKP-ZDUSSCGKSA-N 1 1 238.375 2.285 10 30 BEEEMO C=CCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000175657738 534656249 /nfs/dbraw/zinc/65/62/49/534656249.db2.gz VALHMIWVDAQSOB-CHWSQXEVSA-N 1 1 236.359 2.038 10 30 BEEEMO CC1(C)C[C@H](O)CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000336306748 534898317 /nfs/dbraw/zinc/89/83/17/534898317.db2.gz IHTVGGRHOZUSTL-GFCCVEGCSA-N 1 1 236.359 2.163 10 30 BEEEMO C=CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000111673676 588766201 /nfs/dbraw/zinc/76/62/01/588766201.db2.gz AKRMQTFKJPAFBN-AWEZNQCLSA-N 1 1 245.322 2.380 10 30 BEEEMO C=CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000111673676 588766202 /nfs/dbraw/zinc/76/62/02/588766202.db2.gz AKRMQTFKJPAFBN-AWEZNQCLSA-N 1 1 245.322 2.380 10 30 BEEEMO C[C@@H]1[NH2+]CCC[C@]12CCCN2CCCCC#N ZINC000757132982 582509363 /nfs/dbraw/zinc/50/93/63/582509363.db2.gz SIFCUJMVFFMROK-KBPBESRZSA-N 1 1 235.375 2.287 10 30 BEEEMO CC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000111689839 583923185 /nfs/dbraw/zinc/92/31/85/583923185.db2.gz YPOGHMWKMYDFTL-MRXNPFEDSA-N 1 1 241.334 2.339 10 30 BEEEMO CC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000111689839 583923188 /nfs/dbraw/zinc/92/31/88/583923188.db2.gz YPOGHMWKMYDFTL-MRXNPFEDSA-N 1 1 241.334 2.339 10 30 BEEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000130656503 591494790 /nfs/dbraw/zinc/49/47/90/591494790.db2.gz FBIHXLYPZISUGO-NWDGAFQWSA-N 1 1 204.273 2.452 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309548078 632480237 /nfs/dbraw/zinc/48/02/37/632480237.db2.gz DZAFRBXEGSVYIS-GHMZBOCLSA-N 1 1 219.263 2.003 10 30 BEEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000158764204 632485691 /nfs/dbraw/zinc/48/56/91/632485691.db2.gz LDMBZHJBXCYIPK-JOYOIKCWSA-N 1 1 234.274 2.313 10 30 BEEEMO CCCCCCCC[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310519638 632753108 /nfs/dbraw/zinc/75/31/08/632753108.db2.gz NGJUVYZLKUMJPT-KBPBESRZSA-N 1 1 243.391 2.429 10 30 BEEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O)c(F)c1 ZINC000224395967 640615306 /nfs/dbraw/zinc/61/53/06/640615306.db2.gz JLYMYBWKVTZEKH-CMPLNLGQSA-N 1 1 234.274 2.313 10 30 BEEEMO C#CCCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000228201143 640866914 /nfs/dbraw/zinc/86/69/14/640866914.db2.gz NCAXJDRJSPHXOP-UONOGXRCSA-N 1 1 221.344 2.027 10 30 BEEEMO CC[N@@H+](CCNCC#Cc1ccccc1)C1CC1 ZINC000218440654 972005696 /nfs/dbraw/zinc/00/56/96/972005696.db2.gz PQSQXEHZROPQEV-UHFFFAOYSA-N 1 1 242.366 2.112 10 30 BEEEMO CCN(CC[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000218440654 972005704 /nfs/dbraw/zinc/00/57/04/972005704.db2.gz PQSQXEHZROPQEV-UHFFFAOYSA-N 1 1 242.366 2.112 10 30 BEEEMO CCOc1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000037871532 1170986369 /nfs/dbraw/zinc/98/63/69/1170986369.db2.gz MPCSLQQOWSQJBX-LLVKDONJSA-N 1 1 218.300 2.477 10 30 BEEEMO COc1ccc(C[NH2+][C@@H](C)CC#N)cc1OC ZINC000037871475 1170987453 /nfs/dbraw/zinc/98/74/53/1170987453.db2.gz CVUPAAOMFBWSJJ-JTQLQIEISA-N 1 1 234.299 2.096 10 30 BEEEMO CCC(C=O)(CC)C[N@@H+](CCO)C1CCCC1 ZINC000051178784 168311008 /nfs/dbraw/zinc/31/10/08/168311008.db2.gz BSSIXQLZBODUGU-UHFFFAOYSA-N 1 1 241.375 2.229 10 30 BEEEMO C#CC[NH2+]Cc1cscc1Br ZINC000306314548 398164506 /nfs/dbraw/zinc/16/45/06/398164506.db2.gz YZLFLJWMVBEFDC-UHFFFAOYSA-N 1 1 230.130 2.233 10 30 BEEEMO Cc1ccc(C#N)c(N[C@H]2CCC[N@H+](C)C2)c1 ZINC000051579529 178366050 /nfs/dbraw/zinc/36/60/50/178366050.db2.gz AQBDFNKFLROOBV-ZDUSSCGKSA-N 1 1 229.327 2.373 10 30 BEEEMO CC[N@H+]1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616613058 349604366 /nfs/dbraw/zinc/60/43/66/349604366.db2.gz JYRWXOBKJFAKME-CYBMUJFWSA-N 1 1 200.285 2.367 10 30 BEEEMO C=C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000139117475 343276893 /nfs/dbraw/zinc/27/68/93/343276893.db2.gz ZIBOOJFTERHMSH-CYBMUJFWSA-N 1 1 203.285 2.073 10 30 BEEEMO C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC000039275870 343387590 /nfs/dbraw/zinc/38/75/90/343387590.db2.gz OGPMTUJQOQGMNL-UHFFFAOYSA-N 1 1 218.275 2.313 10 30 BEEEMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC000111394627 136364317 /nfs/dbraw/zinc/36/43/17/136364317.db2.gz XPQHTICICGWHJJ-XYPWUTKMSA-N 1 1 241.334 2.026 10 30 BEEEMO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000054825632 136373237 /nfs/dbraw/zinc/37/32/37/136373237.db2.gz NEOPADFFDRQYKI-KBPBESRZSA-N 1 1 225.295 2.340 10 30 BEEEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000602929939 349821383 /nfs/dbraw/zinc/82/13/83/349821383.db2.gz ADBCTENJATVPLY-IUODEOHRSA-N 1 1 244.338 2.098 10 30 BEEEMO O=CC1(C[N@H+]2CCCSCC2)CCCC1 ZINC000051204711 343623833 /nfs/dbraw/zinc/62/38/33/343623833.db2.gz AJLDHHGQPAEOTD-UHFFFAOYSA-N 1 1 227.373 2.185 10 30 BEEEMO C#C[C@@H]([NH2+]C)c1cccc(Br)c1F ZINC000234449144 343966961 /nfs/dbraw/zinc/96/69/61/343966961.db2.gz XBFKMJDMBXPXRE-SECBINFHSA-N 1 1 242.091 2.482 10 30 BEEEMO C=C(CC)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000313485614 344080028 /nfs/dbraw/zinc/08/00/28/344080028.db2.gz SLZDDHGROJWHPD-CHWSQXEVSA-N 1 1 208.349 2.121 10 30 BEEEMO C=C(C)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248064048 345029055 /nfs/dbraw/zinc/02/90/55/345029055.db2.gz ZDGWHWVCPMEYDU-STQMWFEESA-N 1 1 209.333 2.190 10 30 BEEEMO C=C[C@H]([NH3+])c1occc1Br ZINC000238606013 345090197 /nfs/dbraw/zinc/09/01/97/345090197.db2.gz WNALCSHIGUIGGD-LURJTMIESA-N 1 1 202.051 2.228 10 30 BEEEMO CCCCCCCC[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000310519640 347291026 /nfs/dbraw/zinc/29/10/26/347291026.db2.gz NGJUVYZLKUMJPT-UONOGXRCSA-N 1 1 243.391 2.429 10 30 BEEEMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250534085 362808490 /nfs/dbraw/zinc/80/84/90/362808490.db2.gz WJLBOLQHFITKIY-VXGBXAGGSA-N 1 1 207.317 2.396 10 30 BEEEMO Cc1ncc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000054826240 180157762 /nfs/dbraw/zinc/15/77/62/180157762.db2.gz KAENCNFYJAMKCJ-ONGXEEELSA-N 1 1 221.329 2.233 10 30 BEEEMO Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000054826238 180159044 /nfs/dbraw/zinc/15/90/44/180159044.db2.gz KAENCNFYJAMKCJ-KOLCDFICSA-N 1 1 221.329 2.233 10 30 BEEEMO CC[N@H+]1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616598568 350676185 /nfs/dbraw/zinc/67/61/85/350676185.db2.gz DXNKFVQWZNGAKW-CQSZACIVSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[N@H+]1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616598831 350687334 /nfs/dbraw/zinc/68/73/34/350687334.db2.gz SNOWIBQYIHNNIL-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO C=C(C[NH3+])CN(Cc1ccccc1)C(C)C ZINC000231592923 350875566 /nfs/dbraw/zinc/87/55/66/350875566.db2.gz DBABWMBPAVAYBA-UHFFFAOYSA-N 1 1 218.344 2.412 10 30 BEEEMO CC[N@H+]1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616648792 351177063 /nfs/dbraw/zinc/17/70/63/351177063.db2.gz CGKWNVABHAQYJK-AWEZNQCLSA-N 1 1 230.311 2.342 10 30 BEEEMO CC[N@H+]1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653318 351185968 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ZINC000123396333 357225161 /nfs/dbraw/zinc/22/51/61/357225161.db2.gz RKMMZHYXVMARPP-LBPRGKRZSA-N 1 1 247.342 2.067 10 30 BEEEMO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cn1 ZINC000230686672 357550124 /nfs/dbraw/zinc/55/01/24/357550124.db2.gz SXKMORCNBNDWEN-CHWSQXEVSA-N 1 1 232.331 2.246 10 30 BEEEMO N/C(=N\O)[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000301809766 358436393 /nfs/dbraw/zinc/43/63/93/358436393.db2.gz LSPWHIOCMUWMMR-GFCCVEGCSA-N 1 1 239.363 2.168 10 30 BEEEMO N#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124984152 358530443 /nfs/dbraw/zinc/53/04/43/358530443.db2.gz GBUXUQISZYDGTD-MJBXVCDLSA-N 1 1 236.359 2.306 10 30 BEEEMO N#C[C@@]1(CC=C(Cl)Cl)CCC[NH2+]1 ZINC000403328057 358589693 /nfs/dbraw/zinc/58/96/93/358589693.db2.gz DVQOFAOOBBXMOC-QMMMGPOBSA-N 1 1 205.088 2.341 10 30 BEEEMO Cc1ccncc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000135459875 358839243 /nfs/dbraw/zinc/83/92/43/358839243.db2.gz DRPDFAMDYGSMKQ-AAEUAGOBSA-N 1 1 215.300 2.172 10 30 BEEEMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247557428 359233841 /nfs/dbraw/zinc/23/38/41/359233841.db2.gz UFLAGPSKIUEBKV-NEPJUHHUSA-N 1 1 248.326 2.107 10 30 BEEEMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247557428 359233845 /nfs/dbraw/zinc/23/38/45/359233845.db2.gz UFLAGPSKIUEBKV-NEPJUHHUSA-N 1 1 248.326 2.107 10 30 BEEEMO CC#CC[NH2+]Cc1cc(Br)co1 ZINC000306603397 360530312 /nfs/dbraw/zinc/53/03/12/360530312.db2.gz MMOFCGQECBFISO-UHFFFAOYSA-N 1 1 228.089 2.155 10 30 BEEEMO C[C@H]1C[C@@]2(CO2)C[N@H+]1Cc1ccccc1 ZINC000306598816 360518489 /nfs/dbraw/zinc/51/84/89/360518489.db2.gz YCVNBLNJZNUSFL-AAEUAGOBSA-N 1 1 203.285 2.050 10 30 BEEEMO N#Cc1cccc(OCC[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000435203766 201252092 /nfs/dbraw/zinc/25/20/92/201252092.db2.gz YXPPYCVEYGPXTF-UKRRQHHQSA-N 1 1 242.322 2.421 10 30 BEEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCCC#N ZINC000306796192 369973567 /nfs/dbraw/zinc/97/35/67/369973567.db2.gz VVEGGXIQTVIAGL-ZDUSSCGKSA-N 1 1 231.343 2.010 10 30 BEEEMO C[C@@H](CN(C)Cc1ccccc1)[NH2+]CCC#N ZINC000306796192 369973569 /nfs/dbraw/zinc/97/35/69/369973569.db2.gz VVEGGXIQTVIAGL-ZDUSSCGKSA-N 1 1 231.343 2.010 10 30 BEEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000131463653 371607592 /nfs/dbraw/zinc/60/75/92/371607592.db2.gz PUSWRKQTMSMBJR-KOLCDFICSA-N 1 1 221.329 2.315 10 30 BEEEMO C=C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000131758888 371667548 /nfs/dbraw/zinc/66/75/48/371667548.db2.gz HLMBSYXFCWTXOA-CQSZACIVSA-N 1 1 217.312 2.200 10 30 BEEEMO Cc1cnc([C@@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000227494831 371875151 /nfs/dbraw/zinc/87/51/51/371875151.db2.gz XFNUCKDLKLASNP-SNVBAGLBSA-N 1 1 219.288 2.328 10 30 BEEEMO CC(C)(C=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228054285 371982724 /nfs/dbraw/zinc/98/27/24/371982724.db2.gz TWGQTKTZUMWFAE-VXGBXAGGSA-N 1 1 209.333 2.476 10 30 BEEEMO CCC[N@@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617732 169080238 /nfs/dbraw/zinc/08/02/38/169080238.db2.gz BCCPRIBBBXOKCF-UHFFFAOYSA-N 1 1 235.302 2.011 10 30 BEEEMO CCC[N@@H+](CC)Cc1cccc(C#CCO)c1 ZINC000049617334 169130236 /nfs/dbraw/zinc/13/02/36/169130236.db2.gz NNXBUUCNPXCHHN-UHFFFAOYSA-N 1 1 231.339 2.262 10 30 BEEEMO CCC[N@@H+](CC)Cc1ccc(/C(N)=N/O)cc1 ZINC000037095148 169130706 /nfs/dbraw/zinc/13/07/06/169130706.db2.gz GFYCHEIXHOMZMS-UHFFFAOYSA-N 1 1 235.331 2.013 10 30 BEEEMO CCC[N@@H+](CCN(C)C)C[C@@](C)(C=O)CCC ZINC000051178845 169158514 /nfs/dbraw/zinc/15/85/14/169158514.db2.gz QEGFWWYVCYGEKO-AWEZNQCLSA-N 1 1 242.407 2.265 10 30 BEEEMO CCCN[C@@H](C#N)CCn1cc[nH+]c1C(C)C ZINC000062439816 169273545 /nfs/dbraw/zinc/27/35/45/169273545.db2.gz NNIDMYVIFZCCMV-GFCCVEGCSA-N 1 1 234.347 2.288 10 30 BEEEMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000124076291 384613327 /nfs/dbraw/zinc/61/33/27/384613327.db2.gz VHTRFYNUVZSXBU-HOCLYGCPSA-N 1 1 243.350 2.273 10 30 BEEEMO C=C(Cl)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000228259463 385572360 /nfs/dbraw/zinc/57/23/60/385572360.db2.gz MXBYKDOGNVIMKA-RYUDHWBXSA-N 1 1 228.767 2.298 10 30 BEEEMO OCC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000051814901 386869940 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/nfs/dbraw/zinc/08/69/63/388086963.db2.gz GISDEDRKBVZEED-CYBMUJFWSA-N 1 1 248.301 2.308 10 30 BEEEMO N#Cc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000042294802 388443844 /nfs/dbraw/zinc/44/38/44/388443844.db2.gz HOGYHCDJELALCJ-UHFFFAOYSA-N 1 1 232.352 2.497 10 30 BEEEMO CC(C)(C)[N@H+]1CCc2sc(N)c(C#N)c2C1 ZINC000039123401 388407283 /nfs/dbraw/zinc/40/72/83/388407283.db2.gz RIVCLOMPEZWSRL-UHFFFAOYSA-N 1 1 235.356 2.359 10 30 BEEEMO C[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000122907453 388588941 /nfs/dbraw/zinc/58/89/41/388588941.db2.gz AIOLAQQORCIIBA-UHFFFAOYSA-N 1 1 240.310 2.048 10 30 BEEEMO C=C(C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245429311 388579194 /nfs/dbraw/zinc/57/91/94/388579194.db2.gz NAYKGKPTWZXCFA-OLZOCXBDSA-N 1 1 208.349 2.121 10 30 BEEEMO C=CCCCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000175478588 134287211 /nfs/dbraw/zinc/28/72/11/134287211.db2.gz ZVRPDHVJYZEQBN-UHFFFAOYSA-N 1 1 236.359 2.039 10 30 BEEEMO C[C@H]1C(=NO)CC[N@@H+]1Cc1ccccc1 ZINC000255998337 135098429 /nfs/dbraw/zinc/09/84/29/135098429.db2.gz QYXRREXPAUULFK-JTQLQIEISA-N 1 1 204.273 2.111 10 30 BEEEMO C=C(C)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252888842 135116360 /nfs/dbraw/zinc/11/63/60/135116360.db2.gz BKZNESRKDZOXPD-OLZOCXBDSA-N 1 1 208.349 2.121 10 30 BEEEMO C=C(C)C[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252888842 135116361 /nfs/dbraw/zinc/11/63/61/135116361.db2.gz BKZNESRKDZOXPD-OLZOCXBDSA-N 1 1 208.349 2.121 10 30 BEEEMO C=C(C)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252888842 135116362 /nfs/dbraw/zinc/11/63/62/135116362.db2.gz BKZNESRKDZOXPD-OLZOCXBDSA-N 1 1 208.349 2.121 10 30 BEEEMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253090271 135120001 /nfs/dbraw/zinc/12/00/01/135120001.db2.gz HXAJXWSGNPOTHH-MCIONIFRSA-N 1 1 221.344 2.025 10 30 BEEEMO C=C[C@]1(O)C[C@H](C)[N@H+](C)[C@H]2CCCC[C@@H]21 ZINC000255969689 135130662 /nfs/dbraw/zinc/13/06/62/135130662.db2.gz DNTLHLDYMDJBDF-CYDGBPFRSA-N 1 1 209.333 2.186 10 30 BEEEMO C=CC[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000121238116 135222270 /nfs/dbraw/zinc/22/22/70/135222270.db2.gz WMQGDBHDXDTZHI-UHFFFAOYSA-N 1 1 218.300 2.051 10 30 BEEEMO C=CC[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000121238116 135222272 /nfs/dbraw/zinc/22/22/72/135222272.db2.gz WMQGDBHDXDTZHI-UHFFFAOYSA-N 1 1 218.300 2.051 10 30 BEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000245409079 398115771 /nfs/dbraw/zinc/11/57/71/398115771.db2.gz KIWUMJSOJMATSM-KBPBESRZSA-N 1 1 249.402 2.485 10 30 BEEEMO C=CC[NH2+]CC(=O)c1ccc(OCC)cc1 ZINC000041613139 166399263 /nfs/dbraw/zinc/39/92/63/166399263.db2.gz VOVKJOVPFFFTMF-UHFFFAOYSA-N 1 1 219.284 2.044 10 30 BEEEMO C=CC[NH2+]CC(=O)c1cc(C)c(OC)cc1C ZINC000049822914 166399638 /nfs/dbraw/zinc/39/96/38/166399638.db2.gz SYKBTTZKSHPMMP-UHFFFAOYSA-N 1 1 233.311 2.270 10 30 BEEEMO CCN[C@@](C)(C#N)CC[N@H+]1CCC[C@H](C)CC1 ZINC000104347575 170154683 /nfs/dbraw/zinc/15/46/83/170154683.db2.gz FHZCNTKKZKKDBJ-UONOGXRCSA-N 1 1 237.391 2.390 10 30 BEEEMO CC[C@H](C)[N@@H+](C)Cc1ccccc1C#CCO ZINC000049617199 171307780 /nfs/dbraw/zinc/30/77/80/171307780.db2.gz OKJOHHIQKBDPLL-ZDUSSCGKSA-N 1 1 231.339 2.261 10 30 BEEEMO CC[C@H](C)[N@@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617212 171308422 /nfs/dbraw/zinc/30/84/22/171308422.db2.gz UEVHGWVGLRCQHE-LBPRGKRZSA-N 1 1 249.329 2.400 10 30 BEEEMO CCc1ncc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000061892676 172018965 /nfs/dbraw/zinc/01/89/65/172018965.db2.gz BAIUZJDIQRJWEI-GXSJLCMTSA-N 1 1 235.356 2.487 10 30 BEEEMO CCc1ncc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000061892675 172020843 /nfs/dbraw/zinc/02/08/43/172020843.db2.gz BAIUZJDIQRJWEI-KOLCDFICSA-N 1 1 235.356 2.487 10 30 BEEEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccco1)C2 ZINC000000135880 173205785 /nfs/dbraw/zinc/20/57/85/173205785.db2.gz CGDQDNNLYVMZMZ-PHIMTYICSA-N 1 1 248.282 2.049 10 30 BEEEMO COCC[N@@H+](CCCCC#N)[C@@H](C)C1CC1 ZINC000042616506 174290271 /nfs/dbraw/zinc/29/02/71/174290271.db2.gz JLZRSSFSUVAXIG-LBPRGKRZSA-N 1 1 224.348 2.427 10 30 BEEEMO C[C@@H](S)c1nnc([C@H]([NH3+])C(C)(C)C)o1 ZINC000083348406 176007217 /nfs/dbraw/zinc/00/72/17/176007217.db2.gz CKRFNAZACSBEPS-RITPCOANSA-N 1 1 215.322 2.106 10 30 BEEEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2C#CCO)C1 ZINC000049616044 176102475 /nfs/dbraw/zinc/10/24/75/176102475.db2.gz MQAOSZPVQOAFLB-CQSZACIVSA-N 1 1 243.350 2.262 10 30 BEEEMO C[C@H]1CCCC[N@H+]1Cc1ccccc1C#CCO ZINC000049615716 177077817 /nfs/dbraw/zinc/07/78/17/177077817.db2.gz XDJQHSZGUKQUBQ-AWEZNQCLSA-N 1 1 243.350 2.405 10 30 BEEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C=O)CCOCC1 ZINC000052180078 177096895 /nfs/dbraw/zinc/09/68/95/177096895.db2.gz ZMBLVAFFHOWQAN-QWHCGFSZSA-N 1 1 239.359 2.103 10 30 BEEEMO C[C@H]1CCC[N@@H+](Cc2ccccc2/C(N)=N/O)C1 ZINC000019438259 177101603 /nfs/dbraw/zinc/10/16/03/177101603.db2.gz WSRYVBYZRNCFTH-NSHDSACASA-N 1 1 247.342 2.013 10 30 BEEEMO C[C@H]1CCC[N@@H+](Cc2ccccc2C#CCO)C1 ZINC000049616047 177102465 /nfs/dbraw/zinc/10/24/65/177102465.db2.gz MQAOSZPVQOAFLB-AWEZNQCLSA-N 1 1 243.350 2.262 10 30 BEEEMO C[C@H]1CCC[N@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615195 177110593 /nfs/dbraw/zinc/11/05/93/177110593.db2.gz RITUMIGXESIEHK-AWEZNQCLSA-N 1 1 243.350 2.405 10 30 BEEEMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000077367498 177299187 /nfs/dbraw/zinc/29/91/87/177299187.db2.gz DDCGJXYAYDVKIK-TXEJJXNPSA-N 1 1 230.311 2.167 10 30 BEEEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000077367498 177299188 /nfs/dbraw/zinc/29/91/88/177299188.db2.gz DDCGJXYAYDVKIK-TXEJJXNPSA-N 1 1 230.311 2.167 10 30 BEEEMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1sccc1C#CCO ZINC000104413765 177379236 /nfs/dbraw/zinc/37/92/36/177379236.db2.gz MDTZJJNRWVZRRY-AAEUAGOBSA-N 1 1 249.379 2.180 10 30 BEEEMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000124076975 490347567 /nfs/dbraw/zinc/34/75/67/490347567.db2.gz VHTRFYNUVZSXBU-GDBMZVCRSA-N 1 1 243.350 2.273 10 30 BEEEMO C=C(Cl)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227380532 534441811 /nfs/dbraw/zinc/44/18/11/534441811.db2.gz QAPCXFKALIISNV-NWDGAFQWSA-N 1 1 229.751 2.366 10 30 BEEEMO C=C(Cl)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252891400 534442935 /nfs/dbraw/zinc/44/29/35/534442935.db2.gz KHEFJKRKTPPHSL-NEPJUHHUSA-N 1 1 228.767 2.298 10 30 BEEEMO C=CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000111673679 588766125 /nfs/dbraw/zinc/76/61/25/588766125.db2.gz AKRMQTFKJPAFBN-CQSZACIVSA-N 1 1 245.322 2.380 10 30 BEEEMO C=CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000111673679 588766126 /nfs/dbraw/zinc/76/61/26/588766126.db2.gz AKRMQTFKJPAFBN-CQSZACIVSA-N 1 1 245.322 2.380 10 30 BEEEMO C=CC[N@H+](C)C[C@H](O)c1cc(C)cc(C)c1 ZINC000121181031 589512067 /nfs/dbraw/zinc/51/20/67/589512067.db2.gz OELXSBBGDGCNML-AWEZNQCLSA-N 1 1 219.328 2.455 10 30 BEEEMO C=CC[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000127141872 590575132 /nfs/dbraw/zinc/57/51/32/590575132.db2.gz HXAFPXFZJBMVHY-CYBMUJFWSA-N 1 1 223.291 2.285 10 30 BEEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000130656297 591495329 /nfs/dbraw/zinc/49/53/29/591495329.db2.gz FBIHXLYPZISUGO-NEPJUHHUSA-N 1 1 204.273 2.452 10 30 BEEEMO S[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000138255132 592254964 /nfs/dbraw/zinc/25/49/64/592254964.db2.gz QWFJMMNRXUOJSK-LBPRGKRZSA-N 1 1 207.342 2.233 10 30 BEEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309548079 633197209 /nfs/dbraw/zinc/19/72/09/633197209.db2.gz DZAFRBXEGSVYIS-MNOVXSKESA-N 1 1 219.263 2.003 10 30 BEEEMO C#C[C@@H]([NH2+]Cc1csc(COC)n1)C(C)C ZINC000309882275 633899728 /nfs/dbraw/zinc/89/97/28/633899728.db2.gz WCAOXHIXDYYFKH-LLVKDONJSA-N 1 1 238.356 2.037 10 30 BEEEMO Cc1nc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)cs1 ZINC000309459261 633922165 /nfs/dbraw/zinc/92/21/65/633922165.db2.gz OJHLUOQBGGCUGE-DTWKUNHWSA-N 1 1 239.344 2.031 10 30 BEEEMO C#CCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228198284 640865695 /nfs/dbraw/zinc/86/56/95/640865695.db2.gz YSTQUSHUWUFTAQ-CHWSQXEVSA-N 1 1 207.317 2.043 10 30 BEEEMO C=CC[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000123088648 645918871 /nfs/dbraw/zinc/91/88/71/645918871.db2.gz KMWFMQICMWVQSF-QWHCGFSZSA-N 1 1 208.349 2.121 10 30 BEEEMO C=CC[C@H](C)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000123088648 645918881 /nfs/dbraw/zinc/91/88/81/645918881.db2.gz KMWFMQICMWVQSF-QWHCGFSZSA-N 1 1 208.349 2.121 10 30 BEEEMO C=CC[C@H](C)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000123088648 645918887 /nfs/dbraw/zinc/91/88/87/645918887.db2.gz KMWFMQICMWVQSF-QWHCGFSZSA-N 1 1 208.349 2.121 10 30 BEEEMO C[C@H](C#N)C[N@H+](C)CCSC(F)(F)F ZINC000123450630 712693816 /nfs/dbraw/zinc/69/38/16/712693816.db2.gz BUODPHIGDJOQGL-SSDOTTSWSA-N 1 1 226.267 2.331 10 30 BEEEMO C[C@H](C#N)C[N@@H+](C)CCSC(F)(F)F ZINC000123450630 712693817 /nfs/dbraw/zinc/69/38/17/712693817.db2.gz BUODPHIGDJOQGL-SSDOTTSWSA-N 1 1 226.267 2.331 10 30 BEEEMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000706761928 712154929 /nfs/dbraw/zinc/15/49/29/712154929.db2.gz JWGZWAACTZMEMY-QLFBSQMISA-N 1 1 242.322 2.076 10 30 BEEEMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000706761941 712154933 /nfs/dbraw/zinc/15/49/33/712154933.db2.gz JWGZWAACTZMEMY-RRFJBIMHSA-N 1 1 242.322 2.076 10 30 BEEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715045564 712504554 /nfs/dbraw/zinc/50/45/54/712504554.db2.gz HIGJBJZWLGPMCH-CYDGBPFRSA-N 1 1 209.333 2.044 10 30 BEEEMO C=CC(C)(C)COCC(F)(F)C[NH2+]C ZINC000685956590 538902701 /nfs/dbraw/zinc/90/27/01/538902701.db2.gz GKTBECCHLHXPIW-UHFFFAOYSA-N 1 1 207.264 2.070 10 30 BEEEMO CC(C)(C#N)CCCCn1c[nH+]c(N)c1 ZINC000685964151 538911091 /nfs/dbraw/zinc/91/10/91/538911091.db2.gz BPQPYUJXHWZJSQ-UHFFFAOYSA-N 1 1 206.293 2.185 10 30 BEEEMO CC[N@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616612381 349517747 /nfs/dbraw/zinc/51/77/47/349517747.db2.gz CMPQQHYNVCUHCT-CYBMUJFWSA-N 1 1 200.285 2.367 10 30 BEEEMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000162030461 349553449 /nfs/dbraw/zinc/55/34/49/349553449.db2.gz WFGNKGVASJHKRJ-LBPRGKRZSA-N 1 1 224.348 2.021 10 30 BEEEMO Cc1ccc(C#N)c(N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000053246392 178362992 /nfs/dbraw/zinc/36/29/92/178362992.db2.gz RAWQGTYHAAYDHS-CQSZACIVSA-N 1 1 243.354 2.397 10 30 BEEEMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@H](O)C1 ZINC000309721121 342802890 /nfs/dbraw/zinc/80/28/90/342802890.db2.gz BTXVLHHAZDSBRA-UPJWGTAASA-N 1 1 224.348 2.019 10 30 BEEEMO C=C(C)C[N@@H+](CC)Cc1c(C)nn(C)c1OC ZINC000159003391 323021683 /nfs/dbraw/zinc/02/16/83/323021683.db2.gz CHVBFOUECVBTIO-UHFFFAOYSA-N 1 1 237.347 2.135 10 30 BEEEMO C=C(C)C[N@H+](CC)Cc1c(C)nn(C)c1OC ZINC000159003391 323021684 /nfs/dbraw/zinc/02/16/84/323021684.db2.gz CHVBFOUECVBTIO-UHFFFAOYSA-N 1 1 237.347 2.135 10 30 BEEEMO CC[N@H+]1CCC[C@@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275758 346906913 /nfs/dbraw/zinc/90/69/13/346906913.db2.gz MPZGEZCZWVKBIJ-GFCCVEGCSA-N 1 1 244.342 2.158 10 30 BEEEMO N#CC[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100121 343274273 /nfs/dbraw/zinc/27/42/73/343274273.db2.gz BDHOXPGLPRNJQM-OCCSQVGLSA-N 1 1 236.359 2.306 10 30 BEEEMO N#CC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100121 343274275 /nfs/dbraw/zinc/27/42/75/343274275.db2.gz BDHOXPGLPRNJQM-OCCSQVGLSA-N 1 1 236.359 2.306 10 30 BEEEMO N#CC[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100123 343274352 /nfs/dbraw/zinc/27/43/52/343274352.db2.gz BDHOXPGLPRNJQM-TZMCWYRMSA-N 1 1 236.359 2.306 10 30 BEEEMO N#CC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100123 343274353 /nfs/dbraw/zinc/27/43/53/343274353.db2.gz BDHOXPGLPRNJQM-TZMCWYRMSA-N 1 1 236.359 2.306 10 30 BEEEMO C=C(C)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923412 136363952 /nfs/dbraw/zinc/36/39/52/136363952.db2.gz AAYFINYYXMWDHX-ZDUSSCGKSA-N 1 1 219.332 2.405 10 30 BEEEMO C#CC[NH2+]Cc1sccc1Br ZINC000043674512 343698994 /nfs/dbraw/zinc/69/89/94/343698994.db2.gz RKUBXSBZLHBIAW-UHFFFAOYSA-N 1 1 230.130 2.233 10 30 BEEEMO C[C@H]1CCC[N@@H+](CC2(C=O)CCCC2)C1 ZINC000051175436 346975290 /nfs/dbraw/zinc/97/52/90/346975290.db2.gz GYGKMRJIFJIGOY-LBPRGKRZSA-N 1 1 209.333 2.478 10 30 BEEEMO CN(C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000234261828 343933119 /nfs/dbraw/zinc/93/31/19/343933119.db2.gz IADZCWQGFQGTTF-ZDUSSCGKSA-N 1 1 237.391 2.342 10 30 BEEEMO C[NH+](C)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000234261828 343933120 /nfs/dbraw/zinc/93/31/20/343933120.db2.gz IADZCWQGFQGTTF-ZDUSSCGKSA-N 1 1 237.391 2.342 10 30 BEEEMO C[N@@H+](CCCC#N)[C@@H]1CCc2c(O)cccc2C1 ZINC000028004569 344325069 /nfs/dbraw/zinc/32/50/69/344325069.db2.gz JPGGIRXKQRFUGC-CYBMUJFWSA-N 1 1 244.338 2.485 10 30 BEEEMO C[C@H](CS)Cn1c[nH+]c2c1CCCC2 ZINC000127428138 344374976 /nfs/dbraw/zinc/37/49/76/344374976.db2.gz ZBDGKVSUVDWANZ-VIFPVBQESA-N 1 1 210.346 2.328 10 30 BEEEMO C#C[C@H]([NH2+]C)c1ccc(Br)cc1F ZINC000166109852 344530135 /nfs/dbraw/zinc/53/01/35/344530135.db2.gz LICYIBIWSRHGMR-JTQLQIEISA-N 1 1 242.091 2.482 10 30 BEEEMO N#Cc1ccccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616615909 344543972 /nfs/dbraw/zinc/54/39/72/344543972.db2.gz FLDIXOWDOKZKDQ-AWEZNQCLSA-N 1 1 230.311 2.078 10 30 BEEEMO CC(C)[N@@H+](CCCC#N)C1CCOCC1 ZINC000119614693 344856151 /nfs/dbraw/zinc/85/61/51/344856151.db2.gz IPENJWYRAQGMLR-UHFFFAOYSA-N 1 1 210.321 2.180 10 30 BEEEMO C=C(Br)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000306214805 345123281 /nfs/dbraw/zinc/12/32/81/345123281.db2.gz HCNWIHDJGBNXFQ-JTQLQIEISA-N 1 1 246.148 2.150 10 30 BEEEMO C=C(Br)C[N@H+]1CCC[C@@]12CCOC2 ZINC000306214805 345123283 /nfs/dbraw/zinc/12/32/83/345123283.db2.gz HCNWIHDJGBNXFQ-JTQLQIEISA-N 1 1 246.148 2.150 10 30 BEEEMO C=CC[C@@H]1C[N@H+](C)C[C@]1(O)c1ccccc1 ZINC000256013716 345764867 /nfs/dbraw/zinc/76/48/67/345764867.db2.gz YMSTWDUALQERSI-KGLIPLIRSA-N 1 1 217.312 2.012 10 30 BEEEMO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000309579444 347108148 /nfs/dbraw/zinc/10/81/48/347108148.db2.gz PYQVZESFLQRENQ-HBNTYKKESA-N 1 1 219.288 2.326 10 30 BEEEMO Cn1cc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)cn1 ZINC000119910948 347313387 /nfs/dbraw/zinc/31/33/87/347313387.db2.gz MCTKRYLEVHROET-CYBMUJFWSA-N 1 1 246.358 2.497 10 30 BEEEMO C#CC[NH2+]Cc1ccc(Br)cc1F ZINC000036984890 347997530 /nfs/dbraw/zinc/99/75/30/347997530.db2.gz ACFLFBCBYUSIQU-UHFFFAOYSA-N 1 1 242.091 2.311 10 30 BEEEMO N#C[C@@H]1CCCC[C@H]1[NH+]1CCSCC1 ZINC000037146697 348023529 /nfs/dbraw/zinc/02/35/29/348023529.db2.gz PYMIGPRWIUXLFW-WDEREUQCSA-N 1 1 210.346 2.118 10 30 BEEEMO Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1C#N ZINC000599440300 349178828 /nfs/dbraw/zinc/17/88/28/349178828.db2.gz JDCVXECECGGATQ-WFASDCNBSA-N 1 1 244.338 2.212 10 30 BEEEMO N#Cc1cccc([C@@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616626661 351106135 /nfs/dbraw/zinc/10/61/35/351106135.db2.gz CGDAHDTWRKKLRG-CQSZACIVSA-N 1 1 244.338 2.120 10 30 BEEEMO CC(C)(C)[N@H+]1CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000616633006 351114715 /nfs/dbraw/zinc/11/47/15/351114715.db2.gz VTAZMGCEIBLGKJ-AWEZNQCLSA-N 1 1 243.354 2.303 10 30 BEEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)co1 ZINC000307167566 351540300 /nfs/dbraw/zinc/54/03/00/351540300.db2.gz RZOAZEXELNGUIT-MRVPVSSYSA-N 1 1 242.116 2.496 10 30 BEEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)co1 ZINC000307167566 351540301 /nfs/dbraw/zinc/54/03/01/351540301.db2.gz RZOAZEXELNGUIT-MRVPVSSYSA-N 1 1 242.116 2.496 10 30 BEEEMO N#C[C@]1(CC2CC(F)(F)C2)CCC[NH2+]1 ZINC000307254622 351789150 /nfs/dbraw/zinc/78/91/50/351789150.db2.gz YDQGFGIELKTCGC-SECBINFHSA-N 1 1 200.232 2.068 10 30 BEEEMO C=CCC[N@H+](CC(=O)OCC)C(C)(C)C ZINC000130811358 353361029 /nfs/dbraw/zinc/36/10/29/353361029.db2.gz VBAKPFBVGRNVGA-UHFFFAOYSA-N 1 1 213.321 2.226 10 30 BEEEMO C=CCCC[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190781498 353416330 /nfs/dbraw/zinc/41/63/30/353416330.db2.gz ZRHQWIURSFGOQI-CQSZACIVSA-N 1 1 249.358 2.243 10 30 BEEEMO C=CCCC[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190781498 353416333 /nfs/dbraw/zinc/41/63/33/353416333.db2.gz ZRHQWIURSFGOQI-CQSZACIVSA-N 1 1 249.358 2.243 10 30 BEEEMO N#CC1(N)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000091301933 181029265 /nfs/dbraw/zinc/02/92/65/181029265.db2.gz YOPWHKJAHRXACC-YIONKMFJSA-N 1 1 241.338 2.034 10 30 BEEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822945 181061147 /nfs/dbraw/zinc/06/11/47/181061147.db2.gz PXMWIHRTUGGXMC-QWHCGFSZSA-N 1 1 200.285 2.468 10 30 BEEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000054824553 181069133 /nfs/dbraw/zinc/06/91/33/181069133.db2.gz JTRHAMTYEUIQSA-CHWSQXEVSA-N 1 1 215.300 2.254 10 30 BEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000054825509 181070024 /nfs/dbraw/zinc/07/00/24/181070024.db2.gz XWGXFAJJTQKKQI-DGCLKSJQSA-N 1 1 245.282 2.377 10 30 BEEEMO N#Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000061983943 181091284 /nfs/dbraw/zinc/09/12/84/181091284.db2.gz POOAPPSETBZGGP-LBPRGKRZSA-N 1 1 245.301 2.346 10 30 BEEEMO C=CC[NH2+]CC(=O)c1ccc(C)cc1C ZINC000041612583 166398401 /nfs/dbraw/zinc/39/84/01/166398401.db2.gz QAYYPBDDJIWMPC-UHFFFAOYSA-N 1 1 203.285 2.262 10 30 BEEEMO N#CC1(C[N@H+]2CCC[C@]3(CCOC3)C2)CCC1 ZINC000335160973 354911963 /nfs/dbraw/zinc/91/19/63/354911963.db2.gz ZSCZCBOESSVMLR-AWEZNQCLSA-N 1 1 234.343 2.183 10 30 BEEEMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1CCC#N ZINC000346711010 355102451 /nfs/dbraw/zinc/10/24/51/355102451.db2.gz XODQRVSHNJIQCG-MJBXVCDLSA-N 1 1 236.359 2.306 10 30 BEEEMO [NH2+]=C(Nc1cccc(F)c1)c1ccncc1 ZINC000005785105 181182550 /nfs/dbraw/zinc/18/25/50/181182550.db2.gz PSASAOMEXWAJEI-UHFFFAOYSA-N 1 1 215.231 2.258 10 30 BEEEMO C/[N+](O)=C/c1ccc2ccc3cccnc3c2n1 ZINC000617913085 355847211 /nfs/dbraw/zinc/84/72/11/355847211.db2.gz JZXYMXKCVFPKSW-UHFFFAOYSA-N 1 1 238.270 2.233 10 30 BEEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccncc1 ZINC000088169975 356573443 /nfs/dbraw/zinc/57/34/43/356573443.db2.gz UMIQZBPBIXHREY-DRZSPHRISA-N 1 1 215.300 2.424 10 30 BEEEMO CCc1nn(C)cc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000168709797 357192296 /nfs/dbraw/zinc/19/22/96/357192296.db2.gz TYBTUNSVDRBGAN-RISCZKNCSA-N 1 1 246.358 2.154 10 30 BEEEMO CCCn1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cn1 ZINC000230686631 357550258 /nfs/dbraw/zinc/55/02/58/357550258.db2.gz QPFGOZWQJWOQNF-QWHCGFSZSA-N 1 1 232.331 2.075 10 30 BEEEMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](CCO)C1 ZINC000232529780 357664574 /nfs/dbraw/zinc/66/45/74/357664574.db2.gz IUVRCCALMDGYJT-ZDUSSCGKSA-N 1 1 238.375 2.411 10 30 BEEEMO C=CCCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000132509486 325222048 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/nfs/dbraw/zinc/66/73/55/534667355.db2.gz UIONOZPUGBBLGZ-STQMWFEESA-N 1 1 238.375 2.188 10 30 BEEEMO C=CCCC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000121135227 534705696 /nfs/dbraw/zinc/70/56/96/534705696.db2.gz UXDYQHAIYJEBEC-UHFFFAOYSA-N 1 1 238.375 2.333 10 30 BEEEMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000121084787 534707660 /nfs/dbraw/zinc/70/76/60/534707660.db2.gz SHSVZKYWFMUSMH-LBPRGKRZSA-N 1 1 226.364 2.045 10 30 BEEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCCCC ZINC000121158629 534712426 /nfs/dbraw/zinc/71/24/26/534712426.db2.gz FTGNINNBFJDHOB-LBPRGKRZSA-N 1 1 226.364 2.189 10 30 BEEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000121158972 534712067 /nfs/dbraw/zinc/71/20/67/534712067.db2.gz KEXYIJOJSILCAW-ZDUSSCGKSA-N 1 1 240.391 2.435 10 30 BEEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000121064497 534713015 /nfs/dbraw/zinc/71/30/15/534713015.db2.gz NJSBWRBNAAQLTF-GFCCVEGCSA-N 1 1 226.364 2.045 10 30 BEEEMO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCCCC#N ZINC000757132995 582509376 /nfs/dbraw/zinc/50/93/76/582509376.db2.gz SIFCUJMVFFMROK-UONOGXRCSA-N 1 1 235.375 2.287 10 30 BEEEMO C[C@H]1CCC[N@@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043692276 582806129 /nfs/dbraw/zinc/80/61/29/582806129.db2.gz CHIFYIDEVCDWFH-LBPRGKRZSA-N 1 1 249.379 2.324 10 30 BEEEMO C=CC[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000127142101 583375595 /nfs/dbraw/zinc/37/55/95/583375595.db2.gz HXAFPXFZJBMVHY-ZDUSSCGKSA-N 1 1 223.291 2.285 10 30 BEEEMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000125007424 590111767 /nfs/dbraw/zinc/11/17/67/590111767.db2.gz RVIWNWYQKHJLTO-ZNMIVQPWSA-N 1 1 235.371 2.415 10 30 BEEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309548080 632481949 /nfs/dbraw/zinc/48/19/49/632481949.db2.gz DZAFRBXEGSVYIS-QWRGUYRKSA-N 1 1 219.263 2.003 10 30 BEEEMO CCCCCCC[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000309313684 632924922 /nfs/dbraw/zinc/92/49/22/632924922.db2.gz XYZJOHPHUDKIHI-STQMWFEESA-N 1 1 229.364 2.038 10 30 BEEEMO C#CCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000231637729 641189258 /nfs/dbraw/zinc/18/92/58/641189258.db2.gz IUDMLGQUSYOAIU-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000231637729 641189261 /nfs/dbraw/zinc/18/92/61/641189261.db2.gz IUDMLGQUSYOAIU-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO C#CCCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000231637729 641189267 /nfs/dbraw/zinc/18/92/67/641189267.db2.gz IUDMLGQUSYOAIU-GJZGRUSLSA-N 1 1 234.387 2.349 10 30 BEEEMO