smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000162099138 538920805 /nfs/dbraw/zinc/92/08/05/538920805.db2.gz OMVACDWZVFAVPZ-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(C)C[N@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000162099138 538920806 /nfs/dbraw/zinc/92/08/06/538920806.db2.gz OMVACDWZVFAVPZ-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(C)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000162099138 538920808 /nfs/dbraw/zinc/92/08/08/538920808.db2.gz OMVACDWZVFAVPZ-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc(C)c1O ZINC000061891759 178040822 /nfs/dbraw/zinc/04/08/22/178040822.db2.gz MFYNIMIPXQYKJT-KGLIPLIRSA-N 1 1 244.338 2.791 10 30 BFEEMO Cc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1C#N ZINC000114417736 343999073 /nfs/dbraw/zinc/99/90/73/343999073.db2.gz DZDGZHBZWAOSJD-SNVBAGLBSA-N 1 1 211.268 2.742 10 30 BFEEMO Cc1cnccc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000228668967 398325722 /nfs/dbraw/zinc/32/57/22/398325722.db2.gz FSRXOWLQQZJMEX-JSGCOSHPSA-N 1 1 229.327 2.562 10 30 BFEEMO C=C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000146843213 343317012 /nfs/dbraw/zinc/31/70/12/343317012.db2.gz PISDUWFBUCLVFZ-GFCCVEGCSA-N 1 1 232.283 2.745 10 30 BFEEMO C=C(C)C[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105922537 136363944 /nfs/dbraw/zinc/36/39/44/136363944.db2.gz VPWSITYWNVPFSY-ZDUSSCGKSA-N 1 1 233.359 2.659 10 30 BFEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000054827362 136373125 /nfs/dbraw/zinc/37/31/25/136373125.db2.gz NJFDRVPJIPEVPG-GWCFXTLKSA-N 1 1 236.265 2.747 10 30 BFEEMO CC[N@H+]1CCC2(C1)CCC(CS)CC2 ZINC000095091294 344332989 /nfs/dbraw/zinc/33/29/89/344332989.db2.gz XPAOKACLVGNVRD-UHFFFAOYSA-N 1 1 213.390 2.818 10 30 BFEEMO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)cn1 ZINC000062053081 344305227 /nfs/dbraw/zinc/30/52/27/344305227.db2.gz QVKXRNVDLZOVDQ-KBPBESRZSA-N 1 1 229.327 2.562 10 30 BFEEMO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cn1 ZINC000062053080 344305357 /nfs/dbraw/zinc/30/53/57/344305357.db2.gz QVKXRNVDLZOVDQ-UONOGXRCSA-N 1 1 229.327 2.562 10 30 BFEEMO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825537 344471644 /nfs/dbraw/zinc/47/16/44/344471644.db2.gz TZCVBKLTTHLZNS-UKRRQHHQSA-N 1 1 244.338 2.867 10 30 BFEEMO CC(C)[N@H+]1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616613900 344526197 /nfs/dbraw/zinc/52/61/97/344526197.db2.gz UXKDDRGSUOLKBN-AWEZNQCLSA-N 1 1 214.312 2.756 10 30 BFEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000224371161 344905167 /nfs/dbraw/zinc/90/51/67/344905167.db2.gz LJRUZWNNOZYPJX-ZWNOBZJWSA-N 1 1 236.265 2.747 10 30 BFEEMO CC(C)(C#N)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000087595471 534988243 /nfs/dbraw/zinc/98/82/43/534988243.db2.gz PPMJTOZHOAMQLF-QWHCGFSZSA-N 1 1 236.359 2.570 10 30 BFEEMO C=CCCC[C@@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000091622043 345601404 /nfs/dbraw/zinc/60/14/04/345601404.db2.gz XWICOODBAKOHII-HUUCEWRRSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[C@@H](C)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000091622043 345601409 /nfs/dbraw/zinc/60/14/09/345601409.db2.gz XWICOODBAKOHII-HUUCEWRRSA-N 1 1 236.403 2.901 10 30 BFEEMO N#CCCCC[N@@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000310558406 347294846 /nfs/dbraw/zinc/29/48/46/347294846.db2.gz DIGMOHMXANMQHK-HNNXBMFYSA-N 1 1 249.402 2.631 10 30 BFEEMO N#CCCCC[N@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000310558406 347294851 /nfs/dbraw/zinc/29/48/51/347294851.db2.gz DIGMOHMXANMQHK-HNNXBMFYSA-N 1 1 249.402 2.631 10 30 BFEEMO C#CC[NH2+][C@H](C)c1sccc1Br ZINC000037184940 348054817 /nfs/dbraw/zinc/05/48/17/348054817.db2.gz GTFJZHOCRLWUEW-SSDOTTSWSA-N 1 1 244.157 2.794 10 30 BFEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000598615810 349000566 /nfs/dbraw/zinc/00/05/66/349000566.db2.gz GDZGTCRPRFOPHW-PWSUYJOCSA-N 1 1 235.718 2.517 10 30 BFEEMO N#CC[C@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000397559915 350916493 /nfs/dbraw/zinc/91/64/93/350916493.db2.gz AAUBAVBBBOXMBA-UKRRQHHQSA-N 1 1 240.350 2.952 10 30 BFEEMO COc1ccsc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336691708 350992187 /nfs/dbraw/zinc/99/21/87/350992187.db2.gz KSPRRYQUWSOQPQ-ZJUUUORDSA-N 1 1 236.340 2.539 10 30 BFEEMO C=CC[C@H]([NH3+])C[N@@H+](CCC)Cc1ccccc1 ZINC000306819079 351085234 /nfs/dbraw/zinc/08/52/34/351085234.db2.gz GKQDHKOARWLCIJ-HNNXBMFYSA-N 1 1 232.371 2.802 10 30 BFEEMO C=CC[C@H]([NH3+])C[N@H+](CCC)Cc1ccccc1 ZINC000306819079 351085236 /nfs/dbraw/zinc/08/52/36/351085236.db2.gz GKQDHKOARWLCIJ-HNNXBMFYSA-N 1 1 232.371 2.802 10 30 BFEEMO C=CC[C@H](N)C[N@@H+](CCC)Cc1ccccc1 ZINC000306819079 351085238 /nfs/dbraw/zinc/08/52/38/351085238.db2.gz GKQDHKOARWLCIJ-HNNXBMFYSA-N 1 1 232.371 2.802 10 30 BFEEMO C=CC[C@H](N)C[N@H+](CCC)Cc1ccccc1 ZINC000306819079 351085240 /nfs/dbraw/zinc/08/52/40/351085240.db2.gz GKQDHKOARWLCIJ-HNNXBMFYSA-N 1 1 232.371 2.802 10 30 BFEEMO CC(C)(C)[N@@H+]1CCO[C@H](c2ccccc2C#N)C1 ZINC000616649498 351178737 /nfs/dbraw/zinc/17/87/37/351178737.db2.gz VRADRPWPXPNGTM-AWEZNQCLSA-N 1 1 244.338 2.730 10 30 BFEEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccccc2C#N)C1 ZINC000616649498 351178741 /nfs/dbraw/zinc/17/87/41/351178741.db2.gz VRADRPWPXPNGTM-AWEZNQCLSA-N 1 1 244.338 2.730 10 30 BFEEMO CC(C)[N@H+]1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666399 351226767 /nfs/dbraw/zinc/22/67/67/351226767.db2.gz RAIWIXQGBUKGFM-OAHLLOKOSA-N 1 1 244.338 2.730 10 30 BFEEMO CC#C[C@@H]1[NH2+]CCc2cccc(Cl)c21 ZINC000083661199 188010141 /nfs/dbraw/zinc/01/01/41/188010141.db2.gz CCISPJBZGGLRCV-NSHDSACASA-N 1 1 205.688 2.550 10 30 BFEEMO N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000054824558 181067217 /nfs/dbraw/zinc/06/72/17/181067217.db2.gz ZFTZAFRXTUPIQI-KGLIPLIRSA-N 1 1 229.327 2.644 10 30 BFEEMO CC#CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000121594644 358485410 /nfs/dbraw/zinc/48/54/10/358485410.db2.gz UEDCJDDELGSLHV-UHFFFAOYSA-N 1 1 217.337 2.861 10 30 BFEEMO CC#CC[N@@H+]1CC=C(c2cccs2)CC1 ZINC000121594644 358485416 /nfs/dbraw/zinc/48/54/16/358485416.db2.gz UEDCJDDELGSLHV-UHFFFAOYSA-N 1 1 217.337 2.861 10 30 BFEEMO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054825635 181109547 /nfs/dbraw/zinc/10/95/47/181109547.db2.gz LLCHSJSTEGGLAP-LSDHHAIUSA-N 1 1 239.322 2.730 10 30 BFEEMO N#Cc1ccc([C@H]2CCc3c[nH+]cn32)c(Cl)c1 ZINC000103231333 181130252 /nfs/dbraw/zinc/13/02/52/181130252.db2.gz ANDDLZUJSXKNMN-CYBMUJFWSA-N 1 1 243.697 2.944 10 30 BFEEMO C[C@H]1CC(C)(C)C[N@H+]1CC1(C#N)CCC1 ZINC000335193959 355026836 /nfs/dbraw/zinc/02/68/36/355026836.db2.gz XDTJDLLAIHYJRX-NSHDSACASA-N 1 1 206.333 2.801 10 30 BFEEMO C[C@H]1C[N@H+](CC2(C#N)CCC2)CC[C@@H]1C ZINC000336196939 134126952 /nfs/dbraw/zinc/12/69/52/134126952.db2.gz FUZGHWMVPKJLEF-RYUDHWBXSA-N 1 1 206.333 2.658 10 30 BFEEMO Cc1cnc([C@H](C)[NH2+]CCC(C)(C)C#N)o1 ZINC000230647903 357544252 /nfs/dbraw/zinc/54/42/52/357544252.db2.gz VQSFPMGQMVBFLB-JTQLQIEISA-N 1 1 221.304 2.574 10 30 BFEEMO CC[N@H+]1CC[C@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633694 358317785 /nfs/dbraw/zinc/31/77/85/358317785.db2.gz HGQBYODEQKBUSF-KBPBESRZSA-N 1 1 214.312 2.636 10 30 BFEEMO C#C[C@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000130207068 358952150 /nfs/dbraw/zinc/95/21/50/358952150.db2.gz QDSRBYLMSIXJIF-JTQLQIEISA-N 1 1 214.095 2.887 10 30 BFEEMO CC[C@H](C)[N@@H+](CCC=O)Cc1ccccc1 ZINC000306640146 361588822 /nfs/dbraw/zinc/58/88/22/361588822.db2.gz OZCCXWBXZUROTN-ZDUSSCGKSA-N 1 1 219.328 2.876 10 30 BFEEMO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000328512250 363889689 /nfs/dbraw/zinc/88/96/89/363889689.db2.gz BZADEVAWXTVSTN-NEPJUHHUSA-N 1 1 220.341 2.838 10 30 BFEEMO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)sn1 ZINC000404308693 369427026 /nfs/dbraw/zinc/42/70/26/369427026.db2.gz GWBGOHIAOQIQNW-JQWIXIFHSA-N 1 1 235.356 2.624 10 30 BFEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000063152791 370136905 /nfs/dbraw/zinc/13/69/05/370136905.db2.gz HAJIRZWHQULUBP-VXGBXAGGSA-N 1 1 220.341 2.920 10 30 BFEEMO CCCC[N@@H+]([C@@H](C)CC)[C@@H](CC)C/C(N)=N/O ZINC000042607803 168822150 /nfs/dbraw/zinc/82/21/50/168822150.db2.gz LYXGQVHEYCQXME-RYUDHWBXSA-N 1 1 243.395 2.802 10 30 BFEEMO CCC[N@@H+](C)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000013973967 169087662 /nfs/dbraw/zinc/08/76/62/169087662.db2.gz PPLKMZZVXLGMGV-LBPRGKRZSA-N 1 1 221.344 2.930 10 30 BFEEMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000334212976 383836931 /nfs/dbraw/zinc/83/69/31/383836931.db2.gz DCDUMAOPUDXFRE-UONOGXRCSA-N 1 1 212.296 2.543 10 30 BFEEMO CC[C@@H]([NH2+]CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000036721146 383906387 /nfs/dbraw/zinc/90/63/87/383906387.db2.gz UOIAPUCBSYHDQQ-GFCCVEGCSA-N 1 1 233.271 2.549 10 30 BFEEMO SCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095078987 384356580 /nfs/dbraw/zinc/35/65/80/384356580.db2.gz IEQJEGKMPSHREI-CYBMUJFWSA-N 1 1 221.369 2.828 10 30 BFEEMO C[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000258119682 385538977 /nfs/dbraw/zinc/53/89/77/385538977.db2.gz SYMVAWIZSMWEKY-CYBMUJFWSA-N 1 1 214.312 2.758 10 30 BFEEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCCCC(C)(C)C#N ZINC000399483504 387011654 /nfs/dbraw/zinc/01/16/54/387011654.db2.gz QXEJYNWLZGQFSO-QWHCGFSZSA-N 1 1 238.375 2.552 10 30 BFEEMO C=CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398906091 387015726 /nfs/dbraw/zinc/01/57/26/387015726.db2.gz NCCMHDYCFXVQTC-RRFJBIMHSA-N 1 1 237.387 2.826 10 30 BFEEMO N#CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000105938867 387940115 /nfs/dbraw/zinc/94/01/15/387940115.db2.gz NUAQGAACPGPEQD-VIFPVBQESA-N 1 1 220.238 2.564 10 30 BFEEMO N#CC1(C[N@H+]2CCC[C@@]3(CCCOC3)C2)CCC1 ZINC000336201067 134130338 /nfs/dbraw/zinc/13/03/38/134130338.db2.gz ORFIFJBHPPESJP-OAHLLOKOSA-N 1 1 248.370 2.573 10 30 BFEEMO N#CCCCC[N@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000363037632 134215102 /nfs/dbraw/zinc/21/51/02/134215102.db2.gz KGZPWKYSMHSONU-OLZOCXBDSA-N 1 1 206.333 2.945 10 30 BFEEMO CC#CCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000248399027 135004909 /nfs/dbraw/zinc/00/49/09/135004909.db2.gz VETGZHNXGMUXSH-ZBFHGGJFSA-N 1 1 243.350 2.862 10 30 BFEEMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253091524 135121405 /nfs/dbraw/zinc/12/14/05/135121405.db2.gz JUMLNXMLZNEZII-MCIONIFRSA-N 1 1 223.360 2.578 10 30 BFEEMO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000084148983 135187264 /nfs/dbraw/zinc/18/72/64/135187264.db2.gz ABTHVQZPAPKCMM-QWRGUYRKSA-N 1 1 235.356 2.542 10 30 BFEEMO N#CCc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000335335405 136055577 /nfs/dbraw/zinc/05/55/77/136055577.db2.gz XLXQEIFJSZOLLJ-HUUCEWRRSA-N 1 1 226.323 2.737 10 30 BFEEMO C=CC[N@@H+]1CCC[C@@](C)(c2cccc(O)c2)C1 ZINC000003637915 166354871 /nfs/dbraw/zinc/35/48/71/166354871.db2.gz PDNXCHZQJQBVIV-OAHLLOKOSA-N 1 1 231.339 2.932 10 30 BFEEMO C=CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189755697 166357014 /nfs/dbraw/zinc/35/70/14/166357014.db2.gz RLVAFOVHCTYOET-NSHDSACASA-N 1 1 208.330 2.774 10 30 BFEEMO C=CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189755697 166357017 /nfs/dbraw/zinc/35/70/17/166357017.db2.gz RLVAFOVHCTYOET-NSHDSACASA-N 1 1 208.330 2.774 10 30 BFEEMO C=CC[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041612992 166398504 /nfs/dbraw/zinc/39/85/04/166398504.db2.gz KFLZPDFKZANFSC-UHFFFAOYSA-N 1 1 244.121 2.952 10 30 BFEEMO CC[C@H](C)[N@@H+](CC)Cc1cccc(C#CCO)c1 ZINC000049617612 171311582 /nfs/dbraw/zinc/31/15/82/171311582.db2.gz HMPJCZDDNJEPOT-AWEZNQCLSA-N 1 1 245.366 2.651 10 30 BFEEMO CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1C#N ZINC000042582719 171315892 /nfs/dbraw/zinc/31/58/92/171315892.db2.gz JMRORVVLUURGSN-BFHYXJOUSA-N 1 1 238.375 2.816 10 30 BFEEMO C[N@H+]1CCC[C@](C#N)(c2ccccc2)CC1 ZINC000002046340 173062360 /nfs/dbraw/zinc/06/23/60/173062360.db2.gz OSTBUYKRALHHBD-AWEZNQCLSA-N 1 1 214.312 2.564 10 30 BFEEMO C[C@@H]1CC[C@@H](C#N)[C@H]([N@H+]2CCCSCC2)C1 ZINC000042443924 176194672 /nfs/dbraw/zinc/19/46/72/176194672.db2.gz UBCRFLZPZMMESS-FRRDWIJNSA-N 1 1 238.400 2.754 10 30 BFEEMO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000159841159 177242093 /nfs/dbraw/zinc/24/20/93/177242093.db2.gz AGKIMMFYVYMVBP-LBPRGKRZSA-N 1 1 249.354 2.615 10 30 BFEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000159841159 177242094 /nfs/dbraw/zinc/24/20/94/177242094.db2.gz AGKIMMFYVYMVBP-LBPRGKRZSA-N 1 1 249.354 2.615 10 30 BFEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1S ZINC000073654541 177265470 /nfs/dbraw/zinc/26/54/70/177265470.db2.gz GGFAEBAPIVACQB-AAEUAGOBSA-N 1 1 221.369 2.827 10 30 BFEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000104408241 177378585 /nfs/dbraw/zinc/37/85/85/177378585.db2.gz PRYQEPANRJNAPY-JSGCOSHPSA-N 1 1 244.338 2.525 10 30 BFEEMO C=C(CC)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251228777 534399159 /nfs/dbraw/zinc/39/91/59/534399159.db2.gz PNFYAPYOCVCQMP-UONOGXRCSA-N 1 1 223.360 2.580 10 30 BFEEMO ON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000242723217 527642994 /nfs/dbraw/zinc/64/29/94/527642994.db2.gz YGUBLIFXKQYDAG-UONOGXRCSA-N 1 1 244.338 2.749 10 30 BFEEMO C=C(Cl)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000129818141 591411730 /nfs/dbraw/zinc/41/17/30/591411730.db2.gz AERINVFVSZTXDV-QWHCGFSZSA-N 1 1 242.794 2.688 10 30 BFEEMO CCCCCCCN1CCC([NH2+]C)CC1 ZINC000103061214 592576170 /nfs/dbraw/zinc/57/61/70/592576170.db2.gz IEZSQTWYBYYQKS-UHFFFAOYSA-N 1 1 212.381 2.641 10 30 BFEEMO C=C(Cl)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000161730946 632393920 /nfs/dbraw/zinc/39/39/20/632393920.db2.gz VSTGXCBNEPMDPC-VIFPVBQESA-N 1 1 241.766 2.923 10 30 BFEEMO CCCCCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157378576 640669548 /nfs/dbraw/zinc/66/95/48/640669548.db2.gz QNRWTOXRAMCJBA-CYBMUJFWSA-N 1 1 240.391 2.509 10 30 BFEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1C ZINC000061892396 641004203 /nfs/dbraw/zinc/00/42/03/641004203.db2.gz UKCBSBPKLPIIHP-UONOGXRCSA-N 1 1 244.338 2.786 10 30 BFEEMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c1F ZINC000335900228 136258642 /nfs/dbraw/zinc/25/86/42/136258642.db2.gz UMXRDHYRJQFJGR-WCQYABFASA-N 1 1 230.286 2.682 10 30 BFEEMO N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c1F ZINC000335900228 136258643 /nfs/dbraw/zinc/25/86/43/136258643.db2.gz UMXRDHYRJQFJGR-WCQYABFASA-N 1 1 230.286 2.682 10 30 BFEEMO N#CC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000117479511 342997690 /nfs/dbraw/zinc/99/76/90/342997690.db2.gz FSNSUSQYNLCLRF-CYBMUJFWSA-N 1 1 200.285 2.565 10 30 BFEEMO N#CC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000117479511 342997691 /nfs/dbraw/zinc/99/76/91/342997691.db2.gz FSNSUSQYNLCLRF-CYBMUJFWSA-N 1 1 200.285 2.565 10 30 BFEEMO N#CCC[N@H+](c1ccccc1)c1ccc(N)cn1 ZINC000019833144 187252623 /nfs/dbraw/zinc/25/26/23/187252623.db2.gz KLDABALRRCCQOJ-UHFFFAOYSA-N 1 1 238.294 2.716 10 30 BFEEMO N#CCC[N@@H+](c1ccccc1)c1ccc(N)cn1 ZINC000019833144 187252625 /nfs/dbraw/zinc/25/26/25/187252625.db2.gz KLDABALRRCCQOJ-UHFFFAOYSA-N 1 1 238.294 2.716 10 30 BFEEMO C=C(C)C[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922532 136363870 /nfs/dbraw/zinc/36/38/70/136363870.db2.gz VPWSITYWNVPFSY-CYBMUJFWSA-N 1 1 233.359 2.659 10 30 BFEEMO CSc1ccc(C[N@H+]2CCC[C@H](C=O)C2)cc1 ZINC000054218687 187272492 /nfs/dbraw/zinc/27/24/92/187272492.db2.gz XVWFZPNGDQAISG-ZDUSSCGKSA-N 1 1 249.379 2.819 10 30 BFEEMO C[C@@H]1CCCC[N@H+]1CC1(C=O)CCCC1 ZINC000051175318 346974579 /nfs/dbraw/zinc/97/45/79/346974579.db2.gz XMAOGBYBRNXKFU-GFCCVEGCSA-N 1 1 209.333 2.620 10 30 BFEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824660 344456432 /nfs/dbraw/zinc/45/64/32/344456432.db2.gz HOWBTQQXNSEIJP-JSGCOSHPSA-N 1 1 232.302 2.998 10 30 BFEEMO COc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054823113 344457721 /nfs/dbraw/zinc/45/77/21/344457721.db2.gz VOAYDDGIDYVGHY-GXTWGEPZSA-N 1 1 244.338 2.867 10 30 BFEEMO C=C[C@@H](C)[NH2+]CCCN(C)Cc1ccccc1 ZINC000235213740 344846526 /nfs/dbraw/zinc/84/65/26/344846526.db2.gz UUYHATHDDXTUGC-CQSZACIVSA-N 1 1 232.371 2.673 10 30 BFEEMO C#C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000166402406 344888810 /nfs/dbraw/zinc/88/88/10/344888810.db2.gz GRAQOIYMJBJVIV-YUMQZZPRSA-N 1 1 242.116 2.714 10 30 BFEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000224371077 344904741 /nfs/dbraw/zinc/90/47/41/344904741.db2.gz LJRUZWNNOZYPJX-MFKMUULPSA-N 1 1 236.265 2.747 10 30 BFEEMO C#CC[N@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155294892 345076113 /nfs/dbraw/zinc/07/61/13/345076113.db2.gz XATRCBITHHJVRB-GXTWGEPZSA-N 1 1 229.323 2.506 10 30 BFEEMO CC(C)(C#N)CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227834884 534988858 /nfs/dbraw/zinc/98/88/58/534988858.db2.gz PPMJTOZHOAMQLF-CHWSQXEVSA-N 1 1 236.359 2.570 10 30 BFEEMO C=CC[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000098178506 187362609 /nfs/dbraw/zinc/36/26/09/187362609.db2.gz FVQPGEUORCBSDI-AWEZNQCLSA-N 1 1 229.323 2.654 10 30 BFEEMO C=CC[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000098178506 187362611 /nfs/dbraw/zinc/36/26/11/187362611.db2.gz FVQPGEUORCBSDI-AWEZNQCLSA-N 1 1 229.323 2.654 10 30 BFEEMO C=CCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000129811102 490171358 /nfs/dbraw/zinc/17/13/58/490171358.db2.gz WRRTWADDZSTHSE-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCC[N@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000129811102 490171367 /nfs/dbraw/zinc/17/13/67/490171367.db2.gz WRRTWADDZSTHSE-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000129811102 490171375 /nfs/dbraw/zinc/17/13/75/490171375.db2.gz WRRTWADDZSTHSE-UONOGXRCSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CC[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163173492 350508888 /nfs/dbraw/zinc/50/88/88/350508888.db2.gz BYDNGEQSYRJCTK-SECBINFHSA-N 1 1 209.264 2.586 10 30 BFEEMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163182617 350512475 /nfs/dbraw/zinc/51/24/75/350512475.db2.gz FGIGRCPAVNQIJG-MJBXVCDLSA-N 1 1 223.360 2.578 10 30 BFEEMO CC(C)[N@H+]1CCOCC[C@@H]1c1ccccc1C#N ZINC000616598152 350656565 /nfs/dbraw/zinc/65/65/65/350656565.db2.gz HAGJGDNIFHMZDH-OAHLLOKOSA-N 1 1 244.338 2.730 10 30 BFEEMO CC[N@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616617085 350861294 /nfs/dbraw/zinc/86/12/94/350861294.db2.gz FTPJZDRUCNLWSM-AWEZNQCLSA-N 1 1 214.312 2.758 10 30 BFEEMO C=C(CS)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000231633175 350990318 /nfs/dbraw/zinc/99/03/18/350990318.db2.gz XGKOPNLXQFIXRW-RYUDHWBXSA-N 1 1 211.374 2.737 10 30 BFEEMO COc1ccsc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000336691705 350992113 /nfs/dbraw/zinc/99/21/13/350992113.db2.gz KSPRRYQUWSOQPQ-UWVGGRQHSA-N 1 1 236.340 2.539 10 30 BFEEMO C[C@H]1[C@@H](S)CC[N@H+]1Cc1ccccc1 ZINC000307446301 352602053 /nfs/dbraw/zinc/60/20/53/352602053.db2.gz CXVYRAXVUKPVNF-JQWIXIFHSA-N 1 1 207.342 2.579 10 30 BFEEMO CC(C)(CS)C[N@H+]1CCC2(CCC2)C1 ZINC000307540163 352644407 /nfs/dbraw/zinc/64/44/07/352644407.db2.gz VOMPNLHFNPZUDL-UHFFFAOYSA-N 1 1 213.390 2.818 10 30 BFEEMO CCc1[nH+]ccn1-c1c(C#N)cnc2ccccc21 ZINC000048821919 188327772 /nfs/dbraw/zinc/32/77/72/188327772.db2.gz ZWQKPUVRZIMQRS-UHFFFAOYSA-N 1 1 248.289 2.855 10 30 BFEEMO N#CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000020199751 188352378 /nfs/dbraw/zinc/35/23/78/188352378.db2.gz DZDFASBWWWQNPP-LLVKDONJSA-N 1 1 218.325 2.727 10 30 BFEEMO N#Cc1ccccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368100018 181145362 /nfs/dbraw/zinc/14/53/62/181145362.db2.gz OWZFYKJOOGZGNS-HUUCEWRRSA-N 1 1 226.323 2.933 10 30 BFEEMO C[C@@H]1C[C@H](C)C[N@H+](CC2(C#N)CCC2)C1 ZINC000336189579 134123142 /nfs/dbraw/zinc/12/31/42/134123142.db2.gz GESNETOJTDMKCA-TXEJJXNPSA-N 1 1 206.333 2.658 10 30 BFEEMO C[C@H]1CC2(CCC2)C[N@H+]1CC1(C#N)CCC1 ZINC000336272815 134141946 /nfs/dbraw/zinc/14/19/46/134141946.db2.gz BOPSIFACNIWHLP-LBPRGKRZSA-N 1 1 218.344 2.945 10 30 BFEEMO Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000230686615 357549624 /nfs/dbraw/zinc/54/96/24/357549624.db2.gz RHTZZHVGYPYKOK-FZMZJTMJSA-N 1 1 232.302 2.916 10 30 BFEEMO C=CC[N@H+](C)C[C@H]1CCc2ccccc2C1=O ZINC000584612931 358277115 /nfs/dbraw/zinc/27/71/15/358277115.db2.gz VBZNVYQFOJXRBP-CYBMUJFWSA-N 1 1 229.323 2.550 10 30 BFEEMO CC/N=C1\CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000584601675 358258986 /nfs/dbraw/zinc/25/89/86/358258986.db2.gz LQNSKXVIONJOOG-WTNDLDAUSA-N 1 1 228.339 2.841 10 30 BFEEMO C=C(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000351751168 366539941 /nfs/dbraw/zinc/53/99/41/366539941.db2.gz HALKPUNSTDEDHH-KBPBESRZSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000351751169 366540332 /nfs/dbraw/zinc/54/03/32/366540332.db2.gz HALKPUNSTDEDHH-KGLIPLIRSA-N 1 1 222.376 2.511 10 30 BFEEMO C[C@@H]1CC[N@@H+](CC(C)(C)CS)CCS1 ZINC000306554808 360427860 /nfs/dbraw/zinc/42/78/60/360427860.db2.gz LQTNHOFAEZQKIJ-SNVBAGLBSA-N 1 1 233.446 2.770 10 30 BFEEMO O=C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000054219147 369062198 /nfs/dbraw/zinc/06/21/98/369062198.db2.gz QRSUCKDURQVLNG-SECBINFHSA-N 1 1 243.759 2.812 10 30 BFEEMO O=C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000054219147 369062200 /nfs/dbraw/zinc/06/22/00/369062200.db2.gz QRSUCKDURQVLNG-SECBINFHSA-N 1 1 243.759 2.812 10 30 BFEEMO C[C@H]1SCC[N@@H+](CC(C)(C)CS)[C@@H]1C ZINC000132804763 371925268 /nfs/dbraw/zinc/92/52/68/371925268.db2.gz XWXFFEGWBAEMJM-NXEZZACHSA-N 1 1 233.446 2.768 10 30 BFEEMO CCC[N@@H+](Cc1ccc(C#CCO)cc1)C(C)C ZINC000049617651 169175374 /nfs/dbraw/zinc/17/53/74/169175374.db2.gz TZHHLKCMAFYNMV-UHFFFAOYSA-N 1 1 245.366 2.651 10 30 BFEEMO CCCN[C@@](C)(C#N)CC[N@H+]1CCCC1(C)C ZINC000063072524 169284316 /nfs/dbraw/zinc/28/43/16/169284316.db2.gz UFUSGPUEUNHZLN-CQSZACIVSA-N 1 1 237.391 2.533 10 30 BFEEMO CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#CCO)c1 ZINC000049613223 169365037 /nfs/dbraw/zinc/36/50/37/169365037.db2.gz MQLFCUUECDWZQM-CQSZACIVSA-N 1 1 245.366 2.651 10 30 BFEEMO N#Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)ccc1F ZINC000334912996 383979770 /nfs/dbraw/zinc/97/97/70/383979770.db2.gz OMLLSQMEPIZIQZ-SMDDNHRTSA-N 1 1 230.286 2.682 10 30 BFEEMO C[C@H]([NH2+]CCC#N)c1ccc(Cl)s1 ZINC000035286326 384125133 /nfs/dbraw/zinc/12/51/33/384125133.db2.gz RGTVXSVXNIKEAJ-ZETCQYMHSA-N 1 1 214.721 2.966 10 30 BFEEMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000335771127 384371229 /nfs/dbraw/zinc/37/12/29/384371229.db2.gz UFKZTBAHEKHFGI-BXUZGUMPSA-N 1 1 230.286 2.682 10 30 BFEEMO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000335771127 384371234 /nfs/dbraw/zinc/37/12/34/384371234.db2.gz UFKZTBAHEKHFGI-BXUZGUMPSA-N 1 1 230.286 2.682 10 30 BFEEMO N#CCCC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000370784178 384854587 /nfs/dbraw/zinc/85/45/87/384854587.db2.gz UQIUFYUUNMOFIY-SNVBAGLBSA-N 1 1 221.329 2.584 10 30 BFEEMO N#CCCC[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370784178 384854592 /nfs/dbraw/zinc/85/45/92/384854592.db2.gz UQIUFYUUNMOFIY-SNVBAGLBSA-N 1 1 221.329 2.584 10 30 BFEEMO C=CCCC[N@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245645495 385040618 /nfs/dbraw/zinc/04/06/18/385040618.db2.gz FSQAWYKGQQXAIW-HUUCEWRRSA-N 1 1 231.339 2.543 10 30 BFEEMO Cc1ccc([C@H](C)[NH2+]CCC#N)c(C)c1 ZINC000020199774 385423137 /nfs/dbraw/zinc/42/31/37/385423137.db2.gz KQCZOTCTAYJIAM-LBPRGKRZSA-N 1 1 202.301 2.868 10 30 BFEEMO C[N@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000258072537 385533864 /nfs/dbraw/zinc/53/38/64/385533864.db2.gz OKSWDBMDNCANEV-CYBMUJFWSA-N 1 1 214.312 2.758 10 30 BFEEMO C=CCCCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399145126 386420764 /nfs/dbraw/zinc/42/07/64/386420764.db2.gz BSKINEGWMUWAAM-QWHCGFSZSA-N 1 1 211.349 2.578 10 30 BFEEMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)o1 ZINC000408446949 386816671 /nfs/dbraw/zinc/81/66/71/386816671.db2.gz SYJXCDYTLKIHTN-SDDRHHMPSA-N 1 1 233.315 2.716 10 30 BFEEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCCC(C)(C)C#N ZINC000399483507 387011537 /nfs/dbraw/zinc/01/15/37/387011537.db2.gz QXEJYNWLZGQFSO-STQMWFEESA-N 1 1 238.375 2.552 10 30 BFEEMO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246365863 387078998 /nfs/dbraw/zinc/07/89/98/387078998.db2.gz XWGAGOWSFCDFHJ-CMPLNLGQSA-N 1 1 239.750 2.519 10 30 BFEEMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246365863 387079006 /nfs/dbraw/zinc/07/90/06/387079006.db2.gz XWGAGOWSFCDFHJ-CMPLNLGQSA-N 1 1 239.750 2.519 10 30 BFEEMO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825521 387829737 /nfs/dbraw/zinc/82/97/37/387829737.db2.gz JRGLZXMUDLOWKC-UKRRQHHQSA-N 1 1 244.338 2.867 10 30 BFEEMO CC(C)[C@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405107932 388637321 /nfs/dbraw/zinc/63/73/21/388637321.db2.gz LUTZWDJRPZFHNM-NSHDSACASA-N 1 1 214.312 2.918 10 30 BFEEMO CC#CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248389495 135001318 /nfs/dbraw/zinc/00/13/18/135001318.db2.gz GTOVRHYYECULDL-ZIAGYGMSSA-N 1 1 247.338 2.581 10 30 BFEEMO N#CCc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000335335404 136055504 /nfs/dbraw/zinc/05/55/04/136055504.db2.gz XLXQEIFJSZOLLJ-GJZGRUSLSA-N 1 1 226.323 2.737 10 30 BFEEMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCS1 ZINC000135534677 398135131 /nfs/dbraw/zinc/13/51/31/398135131.db2.gz RQYISOMTCBTEOS-NSHDSACASA-N 1 1 226.389 2.754 10 30 BFEEMO C=CCCC[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000340826385 166245469 /nfs/dbraw/zinc/24/54/69/166245469.db2.gz XWICOODBAKOHII-GJZGRUSLSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[C@H](C)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000340826385 166245473 /nfs/dbraw/zinc/24/54/73/166245473.db2.gz XWICOODBAKOHII-GJZGRUSLSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[C@H](C)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000340826385 166245476 /nfs/dbraw/zinc/24/54/76/166245476.db2.gz XWICOODBAKOHII-GJZGRUSLSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCN(CC=C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000053866187 166334231 /nfs/dbraw/zinc/33/42/31/166334231.db2.gz GTAJNRDITHWVLH-ILXRZTDVSA-N 1 1 236.403 2.814 10 30 BFEEMO CC[C@@H]([NH2+]C[C@H](C)C#N)c1ccccc1OC ZINC000054180944 170899205 /nfs/dbraw/zinc/89/92/05/170899205.db2.gz MWNKYYRIDXVDET-DGCLKSJQSA-N 1 1 232.327 2.896 10 30 BFEEMO C[N@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000075907077 173010188 /nfs/dbraw/zinc/01/01/88/173010188.db2.gz RARNTBUXWFZAGD-ZDUSSCGKSA-N 1 1 200.285 2.715 10 30 BFEEMO C[N@H+]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000062791028 173046950 /nfs/dbraw/zinc/04/69/50/173046950.db2.gz BVFUQRKBNSLVPM-NSHDSACASA-N 1 1 249.745 2.718 10 30 BFEEMO COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891914 175075738 /nfs/dbraw/zinc/07/57/38/175075738.db2.gz HDEGVAILYTUFOH-TZMCWYRMSA-N 1 1 244.338 2.786 10 30 BFEEMO C[C@@H](c1ccc(N)cc1)[N@H+](CCC#N)C1CC1 ZINC000042531011 176014958 /nfs/dbraw/zinc/01/49/58/176014958.db2.gz ULKBCPJSQRCWTC-NSHDSACASA-N 1 1 229.327 2.708 10 30 BFEEMO C[C@@H](c1ccc(N)cc1)[N@@H+](CCC#N)C1CC1 ZINC000042531011 176014961 /nfs/dbraw/zinc/01/49/61/176014961.db2.gz ULKBCPJSQRCWTC-NSHDSACASA-N 1 1 229.327 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C=CC[C@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000715027512 712504890 /nfs/dbraw/zinc/50/48/90/712504890.db2.gz CQLIOGFCTAYBCW-MJBXVCDLSA-N 1 1 223.360 2.578 10 30 BFEEMO Cc1cc(Nc2ccc(C#N)cc2)[nH+]cc1N ZINC000082539881 178191835 /nfs/dbraw/zinc/19/18/35/178191835.db2.gz AOEHYOHSMUBTFU-UHFFFAOYSA-N 1 1 224.267 2.588 10 30 BFEEMO Cc1cc(C#N)cc([C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000114431503 398243428 /nfs/dbraw/zinc/24/34/28/398243428.db2.gz CZVBCCUVKNOOMP-SNVBAGLBSA-N 1 1 211.268 2.742 10 30 BFEEMO Cc1ccc(C#N)c(NCC[N@H+](C)C(C)C)c1 ZINC000054128141 178364810 /nfs/dbraw/zinc/36/48/10/178364810.db2.gz UVWDYXXLVJHPGE-UHFFFAOYSA-N 1 1 231.343 2.619 10 30 BFEEMO CC(C)[N@H+]1CC[C@@H](c2ccccc2C#N)C1 ZINC000616613244 349607753 /nfs/dbraw/zinc/60/77/53/349607753.db2.gz RBMKPDFLFGEBKW-CYBMUJFWSA-N 1 1 214.312 2.756 10 30 BFEEMO C=CC[N@@H+]1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000116482086 342927180 /nfs/dbraw/zinc/92/71/80/342927180.db2.gz FWBNLHMKQSJLFM-LBPRGKRZSA-N 1 1 232.283 2.570 10 30 BFEEMO C=C(C)C[N@H+](CC)C[C@H]1Cc2ccccc2CN1 ZINC000020074223 187206332 /nfs/dbraw/zinc/20/63/32/187206332.db2.gz VLECNVXAIDDHFF-MRXNPFEDSA-N 1 1 244.382 2.599 10 30 BFEEMO C=C(C)C[N@@H+](CC)C[C@H]1Cc2ccccc2CN1 ZINC000020074223 187206333 /nfs/dbraw/zinc/20/63/33/187206333.db2.gz VLECNVXAIDDHFF-MRXNPFEDSA-N 1 1 244.382 2.599 10 30 BFEEMO C=C(C)C[N@H+](CC)Cc1ccc(N)c(C)c1 ZINC000020074214 187206379 /nfs/dbraw/zinc/20/63/79/187206379.db2.gz YXDIXHBVQWBICB-UHFFFAOYSA-N 1 1 218.344 2.975 10 30 BFEEMO C=CCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000117874623 358452182 /nfs/dbraw/zinc/45/21/82/358452182.db2.gz RFRMDIMTZMUTDO-QWHCGFSZSA-N 1 1 209.333 2.596 10 30 BFEEMO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000037900885 187230255 /nfs/dbraw/zinc/23/02/55/187230255.db2.gz FFEBUEUJDMHHMT-QWRGUYRKSA-N 1 1 245.326 2.598 10 30 BFEEMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)ccc1C#N ZINC000335737088 136350498 /nfs/dbraw/zinc/35/04/98/136350498.db2.gz RCXCMPQXBRRODU-UONOGXRCSA-N 1 1 242.322 2.551 10 30 BFEEMO C[C@H]1CCC[N@H+]1CC1(C=O)CCCCC1 ZINC000051174967 346974129 /nfs/dbraw/zinc/97/41/29/346974129.db2.gz VBSDPJXROJXDTD-LBPRGKRZSA-N 1 1 209.333 2.620 10 30 BFEEMO C=C(CC)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000313535290 344099288 /nfs/dbraw/zinc/09/92/88/344099288.db2.gz LKLVKJHXJFPKML-KGLIPLIRSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(CC)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000313535887 344099966 /nfs/dbraw/zinc/09/99/66/344099966.db2.gz LKLVKJHXJFPKML-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO COc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054823114 344457756 /nfs/dbraw/zinc/45/77/56/344457756.db2.gz VOAYDDGIDYVGHY-JSGCOSHPSA-N 1 1 244.338 2.867 10 30 BFEEMO C#C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000166402749 344888618 /nfs/dbraw/zinc/88/86/18/344888618.db2.gz GRAQOIYMJBJVIV-HTQZYQBOSA-N 1 1 242.116 2.714 10 30 BFEEMO C#C[C@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC000166706393 344967201 /nfs/dbraw/zinc/96/72/01/344967201.db2.gz JMNRZGHIAGKKKE-QMMMGPOBSA-N 1 1 211.667 2.590 10 30 BFEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@]12CCOC2 ZINC000375325637 534982521 /nfs/dbraw/zinc/98/25/21/534982521.db2.gz GMWGBOIRNNOLKA-CQSZACIVSA-N 1 1 236.359 2.571 10 30 BFEEMO C=CCNC[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492319 187306052 /nfs/dbraw/zinc/30/60/52/187306052.db2.gz DVMFLPHVJMSADH-QLFBSQMISA-N 1 1 236.403 2.663 10 30 BFEEMO C=CCNC[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492319 187306054 /nfs/dbraw/zinc/30/60/54/187306054.db2.gz DVMFLPHVJMSADH-QLFBSQMISA-N 1 1 236.403 2.663 10 30 BFEEMO C=CCCC[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000091622042 345600931 /nfs/dbraw/zinc/60/09/31/345600931.db2.gz XWICOODBAKOHII-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[C@H](C)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000091622042 345600934 /nfs/dbraw/zinc/60/09/34/345600934.db2.gz XWICOODBAKOHII-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1F ZINC000110976750 347473070 /nfs/dbraw/zinc/47/30/70/347473070.db2.gz SQZVWLQCJSHQFD-TZMCWYRMSA-N 1 1 232.302 2.916 10 30 BFEEMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000389624506 538000166 /nfs/dbraw/zinc/00/01/66/538000166.db2.gz JWSLWWHZKKMNGO-ZJUUUORDSA-N 1 1 222.357 2.904 10 30 BFEEMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000595841348 348376311 /nfs/dbraw/zinc/37/63/11/348376311.db2.gz KMIVYQVOMNIQQM-ZFWWWQNUSA-N 1 1 226.323 2.562 10 30 BFEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000598615811 349000241 /nfs/dbraw/zinc/00/02/41/349000241.db2.gz GDZGTCRPRFOPHW-ZYHUDNBSSA-N 1 1 235.718 2.517 10 30 BFEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000598627364 349004478 /nfs/dbraw/zinc/00/44/78/349004478.db2.gz RGSLYQOYPLTOKI-WCQYABFASA-N 1 1 249.745 2.907 10 30 BFEEMO CC#CC[NH2+]Cc1ccccc1Br ZINC000051663442 350022031 /nfs/dbraw/zinc/02/20/31/350022031.db2.gz FACKTLNNJWSKBI-UHFFFAOYSA-N 1 1 238.128 2.562 10 30 BFEEMO CC[N@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607566 350801127 /nfs/dbraw/zinc/80/11/27/350801127.db2.gz VKHMRXAWAICYDO-CYBMUJFWSA-N 1 1 200.285 2.715 10 30 BFEEMO 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MZVJANHDCLXNDD-UHFFFAOYSA-N 1 1 224.267 2.588 10 30 BFEEMO Cc1cnccc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000228668948 398325765 /nfs/dbraw/zinc/32/57/65/398325765.db2.gz FSRXOWLQQZJMEX-OCCSQVGLSA-N 1 1 229.327 2.562 10 30 BFEEMO Cc1sccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000309091501 133456062 /nfs/dbraw/zinc/45/60/62/133456062.db2.gz DRTMGAOHCUZWNZ-JQWIXIFHSA-N 1 1 220.341 2.838 10 30 BFEEMO CC(C)CC[N@@H+]1[C@H](C)C[C@@H](C=O)C[C@@H]1C ZINC000584883527 343086641 /nfs/dbraw/zinc/08/66/41/343086641.db2.gz ROLABVLUSFVIPB-CLLJXQQHSA-N 1 1 211.349 2.720 10 30 BFEEMO COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000312262865 136372460 /nfs/dbraw/zinc/37/24/60/136372460.db2.gz AOIPILSTFUBBFI-BXUZGUMPSA-N 1 1 248.301 2.616 10 30 BFEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000054827357 136372967 /nfs/dbraw/zinc/37/29/67/136372967.db2.gz NJFDRVPJIPEVPG-ZWNOBZJWSA-N 1 1 236.265 2.747 10 30 BFEEMO COCc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000054825810 136373278 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BFEEMO C=C(C)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000162098980 538920890 /nfs/dbraw/zinc/92/08/90/538920890.db2.gz OMVACDWZVFAVPZ-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(C)C[N@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000162098980 538920892 /nfs/dbraw/zinc/92/08/92/538920892.db2.gz OMVACDWZVFAVPZ-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(C)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000162098980 538920893 /nfs/dbraw/zinc/92/08/93/538920893.db2.gz OMVACDWZVFAVPZ-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO CCC(CC)C[N@@H+](CC)CCCC/C(N)=N\O ZINC000049580286 168348354 /nfs/dbraw/zinc/34/83/54/168348354.db2.gz ZNYLGNPFXXHHKY-UHFFFAOYSA-N 1 1 243.395 2.661 10 30 BFEEMO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000051580216 178364592 /nfs/dbraw/zinc/36/45/92/178364592.db2.gz SBSUWZGMZIELQP-ZDUSSCGKSA-N 1 1 243.354 2.620 10 30 BFEEMO Cc1ccc(C#N)cc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000054243871 178367290 /nfs/dbraw/zinc/36/72/90/178367290.db2.gz WNJNEYOYEDRJCC-AWEZNQCLSA-N 1 1 243.354 2.620 10 30 BFEEMO 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C=C(Cl)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000227633028 642970521 /nfs/dbraw/zinc/97/05/21/642970521.db2.gz AERINVFVSZTXDV-STQMWFEESA-N 1 1 242.794 2.688 10 30 BFEEMO Cc1cc(N(C)c2cccc(C#N)c2)[nH+]cc1N ZINC000077383923 178102503 /nfs/dbraw/zinc/10/25/03/178102503.db2.gz SVLXAGNAHVKFQV-UHFFFAOYSA-N 1 1 238.294 2.612 10 30 BFEEMO Cc1cc(C#N)cc([C@H](C)c2[nH]cc[nH+]2)c1 ZINC000114431505 398245314 /nfs/dbraw/zinc/24/53/14/398245314.db2.gz CZVBCCUVKNOOMP-JTQLQIEISA-N 1 1 211.268 2.742 10 30 BFEEMO CCC(CC)[N@@H+](C)Cc1ccccc1C#CCO ZINC000049618652 168368407 /nfs/dbraw/zinc/36/84/07/168368407.db2.gz DGNBDQCGDOHELE-UHFFFAOYSA-N 1 1 245.366 2.651 10 30 BFEEMO CCC(CC)[N@@H+](CCO)[C@H]1CCCC[C@@H]1C#N ZINC000042505458 168374156 /nfs/dbraw/zinc/37/41/56/168374156.db2.gz CPCYYVVCYRASFM-OCCSQVGLSA-N 1 1 238.375 2.552 10 30 BFEEMO C=C(C)C[N@@H+](CC)CC[C@H](N)c1ccccc1 ZINC000020074206 187206269 /nfs/dbraw/zinc/20/62/69/187206269.db2.gz XXIIIKSEDCJRPT-HNNXBMFYSA-N 1 1 232.371 2.975 10 30 BFEEMO C=C(C)CN(CC)CC[C@H]([NH3+])c1ccccc1 ZINC000020074206 187206275 /nfs/dbraw/zinc/20/62/75/187206275.db2.gz XXIIIKSEDCJRPT-HNNXBMFYSA-N 1 1 232.371 2.975 10 30 BFEEMO N#CCCCC[N@H+]1CCC[C@H]1c1nccs1 ZINC000368875405 136276898 /nfs/dbraw/zinc/27/68/98/136276898.db2.gz LHVJKMLUGGRCJD-NSHDSACASA-N 1 1 235.356 2.974 10 30 BFEEMO C[N@@H+](CC#CC(F)(F)F)Cc1ccccc1 ZINC000139113690 343276906 /nfs/dbraw/zinc/27/69/06/343276906.db2.gz AQYHPRFLRYTFLX-UHFFFAOYSA-N 1 1 227.229 2.684 10 30 BFEEMO ON=C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019426449 187252021 /nfs/dbraw/zinc/25/20/21/187252021.db2.gz VTMBYUYMOCACBK-UHFFFAOYSA-N 1 1 238.718 2.766 10 30 BFEEMO C[C@H]1CCCC[N@H+]1CC1(C=O)CCCC1 ZINC000051175319 343623345 /nfs/dbraw/zinc/62/33/45/343623345.db2.gz XMAOGBYBRNXKFU-LBPRGKRZSA-N 1 1 209.333 2.620 10 30 BFEEMO CCc1[nH+]ccn1-c1cc(C)ccc1C#N ZINC000051598295 187270862 /nfs/dbraw/zinc/27/08/62/187270862.db2.gz CCXJKTCHRYMATP-UHFFFAOYSA-N 1 1 211.268 2.615 10 30 BFEEMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000334229926 343843656 /nfs/dbraw/zinc/84/36/56/343843656.db2.gz JAGUIZRMBIBRGY-OCCSQVGLSA-N 1 1 230.286 2.682 10 30 BFEEMO SCC1CCC2(CC[N@H+](C3CC3)C2)CC1 ZINC000095079010 187286918 /nfs/dbraw/zinc/28/69/18/187286918.db2.gz COEBQWGJGHRHKK-UHFFFAOYSA-N 1 1 225.401 2.961 10 30 BFEEMO C=C(CC)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000313540579 344101257 /nfs/dbraw/zinc/10/12/57/344101257.db2.gz RTTVIGANZNRDRS-KGLIPLIRSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(CC)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000313540579 344101259 /nfs/dbraw/zinc/10/12/59/344101259.db2.gz RTTVIGANZNRDRS-KGLIPLIRSA-N 1 1 222.376 2.511 10 30 BFEEMO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823505 344457743 /nfs/dbraw/zinc/45/77/43/344457743.db2.gz LFXRVFKYLYDMJD-UKRRQHHQSA-N 1 1 244.338 2.867 10 30 BFEEMO CC#CCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000155333322 345076747 /nfs/dbraw/zinc/07/67/47/345076747.db2.gz DNVZNLJPWFNVID-GFCCVEGCSA-N 1 1 234.368 2.736 10 30 BFEEMO CC#CCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000248399025 345367387 /nfs/dbraw/zinc/36/73/87/345367387.db2.gz VETGZHNXGMUXSH-HOCLYGCPSA-N 1 1 243.350 2.862 10 30 BFEEMO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)C#N)c1 ZINC000054181155 179182176 /nfs/dbraw/zinc/18/21/76/179182176.db2.gz FCQWEBLIMVHLGK-VXGBXAGGSA-N 1 1 202.301 2.805 10 30 BFEEMO CCC#C[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000389624503 538000061 /nfs/dbraw/zinc/00/00/61/538000061.db2.gz JWSLWWHZKKMNGO-UWVGGRQHSA-N 1 1 222.357 2.904 10 30 BFEEMO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595689572 348315089 /nfs/dbraw/zinc/31/50/89/348315089.db2.gz MPIUJYDVSFVSSE-TZMCWYRMSA-N 1 1 229.327 2.562 10 30 BFEEMO C[C@]1(C#N)CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000595841347 348376289 /nfs/dbraw/zinc/37/62/89/348376289.db2.gz KMIVYQVOMNIQQM-UKRRQHHQSA-N 1 1 226.323 2.562 10 30 BFEEMO N#C[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000616574077 349076377 /nfs/dbraw/zinc/07/63/77/349076377.db2.gz OCQGNUFMVSYPPB-RRFJBIMHSA-N 1 1 226.323 2.668 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N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000383683689 354890695 /nfs/dbraw/zinc/89/06/95/354890695.db2.gz CVUDHBIJDMTPTP-GXTWGEPZSA-N 1 1 230.311 2.564 10 30 BFEEMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000336152047 134104639 /nfs/dbraw/zinc/10/46/39/134104639.db2.gz APQIXSXGWJPEMU-UONOGXRCSA-N 1 1 212.296 2.543 10 30 BFEEMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000160395032 356699105 /nfs/dbraw/zinc/69/91/05/356699105.db2.gz WZKJPVOVGMOEGE-HNNXBMFYSA-N 1 1 243.350 2.862 10 30 BFEEMO CC#CC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000160395032 356699109 /nfs/dbraw/zinc/69/91/09/356699109.db2.gz WZKJPVOVGMOEGE-HNNXBMFYSA-N 1 1 243.350 2.862 10 30 BFEEMO C=C(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124614952 358520557 /nfs/dbraw/zinc/52/05/57/358520557.db2.gz HTHUGDULDCYXHZ-ZNMIVQPWSA-N 1 1 237.387 2.968 10 30 BFEEMO C#C[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000130191408 358749614 /nfs/dbraw/zinc/74/96/14/358749614.db2.gz AFFLBRPMGRAFAK-VIFPVBQESA-N 1 1 214.095 2.887 10 30 BFEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000247655788 359238662 /nfs/dbraw/zinc/23/86/62/359238662.db2.gz WZQBMKIMYQVQNS-STQMWFEESA-N 1 1 235.327 2.744 10 30 BFEEMO C#C[C@H]([NH2+]C)c1c(C)cccc1Br ZINC000306213702 359308526 /nfs/dbraw/zinc/30/85/26/359308526.db2.gz VGRDPMLHWUZMDC-JTQLQIEISA-N 1 1 238.128 2.651 10 30 BFEEMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000614403554 363806329 /nfs/dbraw/zinc/80/63/29/363806329.db2.gz JMRCZGZJJNGAPS-HUUCEWRRSA-N 1 1 226.323 2.851 10 30 BFEEMO N#C[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000675060745 541463996 /nfs/dbraw/zinc/46/39/96/541463996.db2.gz OCQGNUFMVSYPPB-ZNMIVQPWSA-N 1 1 226.323 2.668 10 30 BFEEMO O/N=C1/CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000102071867 368419703 /nfs/dbraw/zinc/41/97/03/368419703.db2.gz YGUBLIFXKQYDAG-PJHBIWMESA-N 1 1 244.338 2.749 10 30 BFEEMO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)sn1 ZINC000404308695 369425628 /nfs/dbraw/zinc/42/56/28/369425628.db2.gz GWBGOHIAOQIQNW-PWSUYJOCSA-N 1 1 235.356 2.624 10 30 BFEEMO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)ccn1 ZINC000391189534 371276536 /nfs/dbraw/zinc/27/65/36/371276536.db2.gz OOTDOGYPCHDIIS-UONOGXRCSA-N 1 1 229.327 2.562 10 30 BFEEMO C#C[C@H](CC)Nc1cc[nH+]cc1Br ZINC000230001056 371631999 /nfs/dbraw/zinc/63/19/99/371631999.db2.gz XMRPDEMOFBHSBM-MRVPVSSYSA-N 1 1 239.116 2.668 10 30 BFEEMO C[C@H]1CC[N@@H+](CC2(CS)CC2)[C@@H](C)C1 ZINC000227246115 371815967 /nfs/dbraw/zinc/81/59/67/371815967.db2.gz WGMDOAJSJRJRQZ-QWRGUYRKSA-N 1 1 213.390 2.817 10 30 BFEEMO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000162755705 371841190 /nfs/dbraw/zinc/84/11/90/371841190.db2.gz RZZPBKAWCBLNSN-GXTWGEPZSA-N 1 1 229.327 2.562 10 30 BFEEMO C[C@H]1SCC[N@@H+](CC2(CS)CC2)[C@H]1C ZINC000132796329 371923592 /nfs/dbraw/zinc/92/35/92/371923592.db2.gz DSDNHAQOQJYFHE-VHSXEESVSA-N 1 1 231.430 2.522 10 30 BFEEMO C#CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124767868 386692658 /nfs/dbraw/zinc/69/26/58/386692658.db2.gz YQLXMNLDWFKDKO-LBPRGKRZSA-N 1 1 203.285 2.748 10 30 BFEEMO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)o1 ZINC000408446951 386816497 /nfs/dbraw/zinc/81/64/97/386816497.db2.gz SYJXCDYTLKIHTN-TUAOUCFPSA-N 1 1 233.315 2.716 10 30 BFEEMO C=CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398906093 387015426 /nfs/dbraw/zinc/01/54/26/387015426.db2.gz NCCMHDYCFXVQTC-SOUVJXGZSA-N 1 1 237.387 2.826 10 30 BFEEMO C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398906089 387016000 /nfs/dbraw/zinc/01/60/00/387016000.db2.gz NCCMHDYCFXVQTC-KKUMJFAQSA-N 1 1 237.387 2.826 10 30 BFEEMO C=CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195360842 387909911 /nfs/dbraw/zinc/90/99/11/387909911.db2.gz YFYSCISVLKEBHI-JTQLQIEISA-N 1 1 208.330 2.856 10 30 BFEEMO C=CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195360842 387909914 /nfs/dbraw/zinc/90/99/14/387909914.db2.gz YFYSCISVLKEBHI-JTQLQIEISA-N 1 1 208.330 2.856 10 30 BFEEMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1C#N ZINC000336113888 134087954 /nfs/dbraw/zinc/08/79/54/134087954.db2.gz DZAGJRANMMPRMX-GXTWGEPZSA-N 1 1 242.322 2.551 10 30 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371276107 /nfs/dbraw/zinc/27/61/07/371276107.db2.gz OOTDOGYPCHDIIS-KGLIPLIRSA-N 1 1 229.327 2.562 10 30 BFEEMO C#C[C@H](CCC)Nc1cc[nH+]cc1Cl ZINC000230005977 371632028 /nfs/dbraw/zinc/63/20/28/371632028.db2.gz VDSBAHXBVXXOSU-SECBINFHSA-N 1 1 208.692 2.949 10 30 BFEEMO C#C[C@@H](CC)Nc1cc[nH+]cc1Br ZINC000230001053 371633155 /nfs/dbraw/zinc/63/31/55/371633155.db2.gz XMRPDEMOFBHSBM-QMMMGPOBSA-N 1 1 239.116 2.668 10 30 BFEEMO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000162755457 371840343 /nfs/dbraw/zinc/84/03/43/371840343.db2.gz RZZPBKAWCBLNSN-TZMCWYRMSA-N 1 1 229.327 2.562 10 30 BFEEMO C[C@H]1SCC[N@@H+](CC(C)(C)CS)[C@H]1C ZINC000132804976 371925812 /nfs/dbraw/zinc/92/58/12/371925812.db2.gz XWXFFEGWBAEMJM-VHSXEESVSA-N 1 1 233.446 2.768 10 30 BFEEMO CCC[N@H+](C)[C@H](CC#N)c1ccccc1 ZINC000055020088 169087062 /nfs/dbraw/zinc/08/70/62/169087062.db2.gz MKJCLEUZPGGHPF-CYBMUJFWSA-N 1 1 202.301 2.983 10 30 BFEEMO CCC[N@@H+](C)[C@H](CC#N)c1ccccc1 ZINC000055020088 169087064 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C=CCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000303080900 134232155 /nfs/dbraw/zinc/23/21/55/134232155.db2.gz JNMUTFHEUHFCKY-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCCC[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000303080900 134232156 /nfs/dbraw/zinc/23/21/56/134232156.db2.gz JNMUTFHEUHFCKY-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000303080900 134232157 /nfs/dbraw/zinc/23/21/57/134232157.db2.gz JNMUTFHEUHFCKY-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088367 135120014 /nfs/dbraw/zinc/12/00/14/135120014.db2.gz FGIGRCPAVNQIJG-BFHYXJOUSA-N 1 1 223.360 2.578 10 30 BFEEMO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)ccc1F ZINC000061892572 398107950 /nfs/dbraw/zinc/10/79/50/398107950.db2.gz RWISAHXAESKNAM-GXTWGEPZSA-N 1 1 232.302 2.916 10 30 BFEEMO C[C@@H]1CCCC[C@@]1(C#N)[NH+]1CCCCC1 ZINC000037356932 409737221 /nfs/dbraw/zinc/73/72/21/409737221.db2.gz OUTNLMFUYNJVEQ-OLZOCXBDSA-N 1 1 206.333 2.945 10 30 BFEEMO C#C[C@H](C)[NH2+]Cc1[nH]c(CCCC)nc1Cl ZINC000166428096 166216822 /nfs/dbraw/zinc/21/68/22/166216822.db2.gz MJGGPLSRCUHFDE-VIFPVBQESA-N 1 1 239.750 2.517 10 30 BFEEMO C=CC[N@@H+]1CC[C@H]2c3cccc(O)c3CC[C@H]21 ZINC000013826517 166358330 /nfs/dbraw/zinc/35/83/30/166358330.db2.gz MHHLELSXRBTNRD-GXTWGEPZSA-N 1 1 229.323 2.682 10 30 BFEEMO C=CC[N@H+]1Cc2ccc(N)cc2[C@H](CC)C1 ZINC000038302216 166360864 /nfs/dbraw/zinc/36/08/64/166360864.db2.gz ZUBARGWJWRMALM-LLVKDONJSA-N 1 1 216.328 2.764 10 30 BFEEMO CC[C@H](C)[N@@H+](CC)Cc1ccccc1C#CCO ZINC000049617592 171312538 /nfs/dbraw/zinc/31/25/38/171312538.db2.gz GGQBJHWXWBRWAW-AWEZNQCLSA-N 1 1 245.366 2.651 10 30 BFEEMO CCc1[nH+]ccn1[C@H]1CCCC[C@H]1C#N ZINC000042419832 172029186 /nfs/dbraw/zinc/02/91/86/172029186.db2.gz UDHKDGGWVYRMCS-QWRGUYRKSA-N 1 1 203.289 2.700 10 30 BFEEMO CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1C#N ZINC000042419831 172029959 /nfs/dbraw/zinc/02/99/59/172029959.db2.gz UDHKDGGWVYRMCS-WDEREUQCSA-N 1 1 203.289 2.700 10 30 BFEEMO C[N@H+]1CCCC[C@H]1CCNc1cccc(C#N)c1 ZINC000052205322 173008117 /nfs/dbraw/zinc/00/81/17/173008117.db2.gz VDDCYXFLRDWGOP-HNNXBMFYSA-N 1 1 243.354 2.845 10 30 BFEEMO C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2C#N)C1 ZINC000040718226 176179988 /nfs/dbraw/zinc/17/99/88/176179988.db2.gz XDNRESLADVRVSF-JHJVBQTASA-N 1 1 206.333 2.801 10 30 BFEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CCCSCC2)C1 ZINC000042443920 176218423 /nfs/dbraw/zinc/21/84/23/176218423.db2.gz UBCRFLZPZMMESS-JHJVBQTASA-N 1 1 238.400 2.754 10 30 BFEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000104422224 176392064 /nfs/dbraw/zinc/39/20/64/176392064.db2.gz RCEWLTCTKWODTH-FMKPAKJESA-N 1 1 245.366 2.731 10 30 BFEEMO C=CC[N@@H+](Cc1cccc(N)c1)CC(C)C ZINC000238142073 487664667 /nfs/dbraw/zinc/66/46/67/487664667.db2.gz GFBZIEPXBMEYNI-UHFFFAOYSA-N 1 1 218.344 2.913 10 30 BFEEMO C=CC[N@@H+]1CC[C@](CC)(c2cccc(O)c2)C1 ZINC000584650230 488020224 /nfs/dbraw/zinc/02/02/24/488020224.db2.gz RCPYDPZCVIPDQD-HNNXBMFYSA-N 1 1 231.339 2.932 10 30 BFEEMO C=CC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121212630 534817356 /nfs/dbraw/zinc/81/73/56/534817356.db2.gz FXNJKNXSXSTDOX-OLZOCXBDSA-N 1 1 223.360 2.842 10 30 BFEEMO C=C(Cl)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000161730826 632394221 /nfs/dbraw/zinc/39/42/21/632394221.db2.gz VSTGXCBNEPMDPC-SECBINFHSA-N 1 1 241.766 2.923 10 30 BFEEMO CCC(CC)[N@@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049618653 168368455 /nfs/dbraw/zinc/36/84/55/168368455.db2.gz FXSNDBRGOBZQTJ-UHFFFAOYSA-N 1 1 245.366 2.651 10 30 BFEEMO Cc1ccc(C#N)c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000051580218 178364231 /nfs/dbraw/zinc/36/42/31/178364231.db2.gz SBSUWZGMZIELQP-CYBMUJFWSA-N 1 1 243.354 2.620 10 30 BFEEMO SC/C=C\C[N@H+]1CCCC12CCCC2 ZINC000308560259 346883913 /nfs/dbraw/zinc/88/39/13/346883913.db2.gz DVZLJQYWWRWLDF-ARJAWSKDSA-N 1 1 211.374 2.881 10 30 BFEEMO Cc1[nH]cnc1CCCOc1ccc(C#N)cc1 ZINC000201647610 343389604 /nfs/dbraw/zinc/38/96/04/343389604.db2.gz YISFBVZDKQGSHS-UHFFFAOYSA-N 1 1 241.294 2.601 10 30 BFEEMO Cc1[nH+]c[nH]c1CCCOc1ccc(C#N)cc1 ZINC000201647610 343389607 /nfs/dbraw/zinc/38/96/07/343389607.db2.gz YISFBVZDKQGSHS-UHFFFAOYSA-N 1 1 241.294 2.601 10 30 BFEEMO Cc1[nH]c[nH+]c1CCCOc1ccc(C#N)cc1 ZINC000201647610 343389609 /nfs/dbraw/zinc/38/96/09/343389609.db2.gz YISFBVZDKQGSHS-UHFFFAOYSA-N 1 1 241.294 2.601 10 30 BFEEMO Cc1ccc([C@H](C)[NH2+]CCC#N)cc1F ZINC000087284229 343642804 /nfs/dbraw/zinc/64/28/04/343642804.db2.gz MLQGGCJMSUXOCI-JTQLQIEISA-N 1 1 206.264 2.698 10 30 BFEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000602931444 349822239 /nfs/dbraw/zinc/82/22/39/349822239.db2.gz VQTVIPWGHKVEDS-CHWSQXEVSA-N 1 1 238.375 2.552 10 30 BFEEMO C[C@@H]1CCC[N@H+]1CC1(C=O)CCCCC1 ZINC000051174966 346974544 /nfs/dbraw/zinc/97/45/44/346974544.db2.gz VBSDPJXROJXDTD-GFCCVEGCSA-N 1 1 209.333 2.620 10 30 BFEEMO C=C(CC)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000313540583 344101621 /nfs/dbraw/zinc/10/16/21/344101621.db2.gz RTTVIGANZNRDRS-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO C=C(CC)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000313540583 344101623 /nfs/dbraw/zinc/10/16/23/344101623.db2.gz RTTVIGANZNRDRS-ZIAGYGMSSA-N 1 1 222.376 2.511 10 30 BFEEMO COc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054823112 344457538 /nfs/dbraw/zinc/45/75/38/344457538.db2.gz VOAYDDGIDYVGHY-OCCSQVGLSA-N 1 1 244.338 2.867 10 30 BFEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000054824089 344457633 /nfs/dbraw/zinc/45/76/33/344457633.db2.gz RCCROTOPWWREPW-SMDDNHRTSA-N 1 1 232.302 2.998 10 30 BFEEMO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000054825646 344472339 /nfs/dbraw/zinc/47/23/39/344472339.db2.gz UOGVERWRTWTTHQ-CABCVRRESA-N 1 1 239.322 2.730 10 30 BFEEMO C#C[C@H](C)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000166402642 344888652 /nfs/dbraw/zinc/88/86/52/344888652.db2.gz GRAQOIYMJBJVIV-JGVFFNPUSA-N 1 1 242.116 2.714 10 30 BFEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000224371116 344905226 /nfs/dbraw/zinc/90/52/26/344905226.db2.gz LJRUZWNNOZYPJX-GXFFZTMASA-N 1 1 236.265 2.747 10 30 BFEEMO C=C[C@H](C)[NH2+]CCCN(C)Cc1ccccc1 ZINC000235516230 344928995 /nfs/dbraw/zinc/92/89/95/344928995.db2.gz UUYHATHDDXTUGC-AWEZNQCLSA-N 1 1 232.371 2.673 10 30 BFEEMO C=CC[C@@H](CO)CC[N@H+](C)Cc1ccccc1 ZINC000034591733 345834530 /nfs/dbraw/zinc/83/45/30/345834530.db2.gz FMLVGBALFLXDAF-OAHLLOKOSA-N 1 1 233.355 2.693 10 30 BFEEMO C=C(C)C[N@@H+](CC)C[C@@H]1CNc2ccccc2O1 ZINC000020074226 187370069 /nfs/dbraw/zinc/37/00/69/187370069.db2.gz ONABIZNGWWWZAL-ZDUSSCGKSA-N 1 1 246.354 2.758 10 30 BFEEMO N#CCCCC[N@@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000310558408 347295097 /nfs/dbraw/zinc/29/50/97/347295097.db2.gz DIGMOHMXANMQHK-OAHLLOKOSA-N 1 1 249.402 2.631 10 30 BFEEMO N#CCCCC[N@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000310558408 347295100 /nfs/dbraw/zinc/29/51/00/347295100.db2.gz DIGMOHMXANMQHK-OAHLLOKOSA-N 1 1 249.402 2.631 10 30 BFEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000598615809 349000364 /nfs/dbraw/zinc/00/03/64/349000364.db2.gz GDZGTCRPRFOPHW-JQWIXIFHSA-N 1 1 235.718 2.517 10 30 BFEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000598627362 349004781 /nfs/dbraw/zinc/00/47/81/349004781.db2.gz RGSLYQOYPLTOKI-AAEUAGOBSA-N 1 1 249.745 2.907 10 30 BFEEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000336708254 350460478 /nfs/dbraw/zinc/46/04/78/350460478.db2.gz QXDLELXMCIFJGT-BETUJISGSA-N 1 1 238.375 2.816 10 30 BFEEMO CC(C)[N@H+]1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616598191 350657249 /nfs/dbraw/zinc/65/72/49/350657249.db2.gz MLRVXVLLEAJLRQ-HNNXBMFYSA-N 1 1 244.338 2.730 10 30 BFEEMO COc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336691704 350992235 /nfs/dbraw/zinc/99/22/35/350992235.db2.gz KSPRRYQUWSOQPQ-NXEZZACHSA-N 1 1 236.340 2.539 10 30 BFEEMO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649542 351178943 /nfs/dbraw/zinc/17/89/43/351178943.db2.gz YDOXEEWDPRNFMH-AWEZNQCLSA-N 1 1 244.338 2.730 10 30 BFEEMO CC(C)(C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649542 351178948 /nfs/dbraw/zinc/17/89/48/351178948.db2.gz YDOXEEWDPRNFMH-AWEZNQCLSA-N 1 1 244.338 2.730 10 30 BFEEMO C=C1CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000306924177 351343101 /nfs/dbraw/zinc/34/31/01/351343101.db2.gz IMVRVWHITLVCGB-SECBINFHSA-N 1 1 220.143 2.832 10 30 BFEEMO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000037900887 188082654 /nfs/dbraw/zinc/08/26/54/188082654.db2.gz FFEBUEUJDMHHMT-WDEREUQCSA-N 1 1 245.326 2.598 10 30 BFEEMO C#C[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000130031595 353339317 /nfs/dbraw/zinc/33/93/17/353339317.db2.gz MUBLGLVCJMXEES-JTQLQIEISA-N 1 1 214.095 2.887 10 30 BFEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824655 181060753 /nfs/dbraw/zinc/06/07/53/181060753.db2.gz OSXQIJJGHJFTGB-WCQYABFASA-N 1 1 218.275 2.608 10 30 BFEEMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)CCS1 ZINC000334619444 354308251 /nfs/dbraw/zinc/30/82/51/354308251.db2.gz KPXFGPBXWWCPRP-LLVKDONJSA-N 1 1 224.373 2.508 10 30 BFEEMO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054825633 181109122 /nfs/dbraw/zinc/10/91/22/181109122.db2.gz LLCHSJSTEGGLAP-HUUCEWRRSA-N 1 1 239.322 2.730 10 30 BFEEMO C=C(C)CNc1cc[nH+]cc1Br ZINC000160394524 356699309 /nfs/dbraw/zinc/69/93/09/356699309.db2.gz GTVGIOQLSJNWJD-UHFFFAOYSA-N 1 1 227.105 2.832 10 30 BFEEMO N#CCCCC[N@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000363037633 134215057 /nfs/dbraw/zinc/21/50/57/134215057.db2.gz KGZPWKYSMHSONU-QWHCGFSZSA-N 1 1 206.333 2.945 10 30 BFEEMO ON=C1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000584601408 358258022 /nfs/dbraw/zinc/25/80/22/358258022.db2.gz RVOVXZWWKKIEAE-UHFFFAOYSA-N 1 1 244.338 2.818 10 30 BFEEMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124607844 358520884 /nfs/dbraw/zinc/52/08/84/358520884.db2.gz IIIRPEQMQQYUAS-ZNMIVQPWSA-N 1 1 237.387 2.968 10 30 BFEEMO COCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000088568452 359967048 /nfs/dbraw/zinc/96/70/48/359967048.db2.gz GZHNMFCZHUMAAJ-CABCVRRESA-N 1 1 244.338 2.615 10 30 BFEEMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CO2)CC1 ZINC000070613407 361626728 /nfs/dbraw/zinc/62/67/28/361626728.db2.gz URFGQRSJVVHGMM-VXGBXAGGSA-N 1 1 211.349 2.533 10 30 BFEEMO Cc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000162755578 371839971 /nfs/dbraw/zinc/83/99/71/371839971.db2.gz RZZPBKAWCBLNSN-OCCSQVGLSA-N 1 1 229.327 2.562 10 30 BFEEMO C[C@H]1SCC[N@@H+](CC2(CS)CC2)[C@@H]1C ZINC000132796131 371923654 /nfs/dbraw/zinc/92/36/54/371923654.db2.gz DSDNHAQOQJYFHE-NXEZZACHSA-N 1 1 231.430 2.522 10 30 BFEEMO N#Cc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)ccc1F ZINC000334912991 383978067 /nfs/dbraw/zinc/97/80/67/383978067.db2.gz OMLLSQMEPIZIQZ-BXUZGUMPSA-N 1 1 230.286 2.682 10 30 BFEEMO C=CC[C@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000003602425 384152177 /nfs/dbraw/zinc/15/21/77/384152177.db2.gz QJBSWGUVFSZSSA-AWEZNQCLSA-N 1 1 217.312 2.542 10 30 BFEEMO C[C@]1(S)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095089640 384359810 /nfs/dbraw/zinc/35/98/10/384359810.db2.gz QAMZVKJWMGBGJH-ZDUSSCGKSA-N 1 1 221.369 2.971 10 30 BFEEMO O/N=C1/CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000095347728 384368875 /nfs/dbraw/zinc/36/88/75/384368875.db2.gz YGUBLIFXKQYDAG-PSVJWRSCSA-N 1 1 244.338 2.749 10 30 BFEEMO CCc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020199975 385422237 /nfs/dbraw/zinc/42/22/37/385422237.db2.gz CMXCMXOPWLMNBL-LLVKDONJSA-N 1 1 202.301 2.813 10 30 BFEEMO C[N@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000258072538 385534450 /nfs/dbraw/zinc/53/44/50/385534450.db2.gz OKSWDBMDNCANEV-ZDUSSCGKSA-N 1 1 214.312 2.758 10 30 BFEEMO C=CC[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000098178505 386679268 /nfs/dbraw/zinc/67/92/68/386679268.db2.gz FVQPGEUORCBSDI-CQSZACIVSA-N 1 1 229.323 2.654 10 30 BFEEMO C=CC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000098178505 386679273 /nfs/dbraw/zinc/67/92/73/386679273.db2.gz FVQPGEUORCBSDI-CQSZACIVSA-N 1 1 229.323 2.654 10 30 BFEEMO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246365881 387078934 /nfs/dbraw/zinc/07/89/34/387078934.db2.gz XWGAGOWSFCDFHJ-ZYHUDNBSSA-N 1 1 239.750 2.519 10 30 BFEEMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246365881 387078941 /nfs/dbraw/zinc/07/89/41/387078941.db2.gz XWGAGOWSFCDFHJ-ZYHUDNBSSA-N 1 1 239.750 2.519 10 30 BFEEMO CC1(C)C[N@@H+](CC2(C#N)CCC2)CCS1 ZINC000336201251 134130348 /nfs/dbraw/zinc/13/03/48/134130348.db2.gz BFBIWGQDYHSXLQ-UHFFFAOYSA-N 1 1 224.373 2.508 10 30 BFEEMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090608 135119913 /nfs/dbraw/zinc/11/99/13/135119913.db2.gz IIIRPEQMQQYUAS-RBSFLKMASA-N 1 1 237.387 2.968 10 30 BFEEMO N#Cc1cccc(C[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000334415879 135394724 /nfs/dbraw/zinc/39/47/24/135394724.db2.gz PWICRYXDUIYDSD-ZIAGYGMSSA-N 1 1 212.296 2.543 10 30 BFEEMO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)ccc1F ZINC000061892571 398107958 /nfs/dbraw/zinc/10/79/58/398107958.db2.gz RWISAHXAESKNAM-OCCSQVGLSA-N 1 1 232.302 2.916 10 30 BFEEMO C#CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000270649920 166136437 /nfs/dbraw/zinc/13/64/37/166136437.db2.gz TUQSPTZAILVLCX-NSHDSACASA-N 1 1 220.341 2.693 10 30 BFEEMO C#CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000270649920 166136441 /nfs/dbraw/zinc/13/64/41/166136441.db2.gz TUQSPTZAILVLCX-NSHDSACASA-N 1 1 220.341 2.693 10 30 BFEEMO C#CC[NH2+][C@@H](C)c1ccccc1Br ZINC000019875493 166191213 /nfs/dbraw/zinc/19/12/13/166191213.db2.gz KIMSQOPNTPBCKA-VIFPVBQESA-N 1 1 238.128 2.733 10 30 BFEEMO C=CC[N@H+]1CC[C@H]2c3ccccc3CC[C@H]21 ZINC000001493037 166358391 /nfs/dbraw/zinc/35/83/91/166358391.db2.gz KJAVUVIRTPBAPJ-LSDHHAIUSA-N 1 1 213.324 2.977 10 30 BFEEMO CCN[C@@H](C#N)CC[N@@H+](CC)CC(CC)CC ZINC000062437005 170138213 /nfs/dbraw/zinc/13/82/13/170138213.db2.gz DYCQRDGCDFJVRE-CQSZACIVSA-N 1 1 239.407 2.636 10 30 BFEEMO CC[C@@](C)(C=O)C[N@@H+](C)Cc1ccccc1OC ZINC000051178666 171164318 /nfs/dbraw/zinc/16/43/18/171164318.db2.gz AGHKPXQONFQPKU-OAHLLOKOSA-N 1 1 249.354 2.742 10 30 BFEEMO COCC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1C#N ZINC000042369048 174287071 /nfs/dbraw/zinc/28/70/71/174287071.db2.gz RCPNLZHGGLPAII-KGLIPLIRSA-N 1 1 238.375 2.673 10 30 BFEEMO COCC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1C#N ZINC000042369045 174287555 /nfs/dbraw/zinc/28/75/55/174287555.db2.gz RCPNLZHGGLPAII-ZIAGYGMSSA-N 1 1 238.375 2.673 10 30 BFEEMO COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061891917 175075955 /nfs/dbraw/zinc/07/59/55/175075955.db2.gz HDEGVAILYTUFOH-JSGCOSHPSA-N 1 1 244.338 2.786 10 30 BFEEMO C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000189342002 176016811 /nfs/dbraw/zinc/01/68/11/176016811.db2.gz MMVZKUQWJMZVSM-UPJWGTAASA-N 1 1 244.338 2.728 10 30 BFEEMO C[C@@H]1CCCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000336257187 176065099 /nfs/dbraw/zinc/06/50/99/176065099.db2.gz ATYSDQDWECSLQO-GFCCVEGCSA-N 1 1 206.333 2.802 10 30 BFEEMO C[C@@H]1CC[N@@H+](CC[C@@](C)(C#N)NC2CC2)[C@H](C)C1 ZINC000051747486 176171360 /nfs/dbraw/zinc/17/13/60/176171360.db2.gz MMFWLZUVSYVXMO-NFAWXSAZSA-N 1 1 249.402 2.531 10 30 BFEEMO C[C@H]1CCC[N@H+]1CCCOc1ccccc1C#N ZINC000037910794 177109782 /nfs/dbraw/zinc/10/97/82/177109782.db2.gz RGXODFRRZAYGMM-ZDUSSCGKSA-N 1 1 244.338 2.811 10 30 BFEEMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000104409417 177342860 /nfs/dbraw/zinc/34/28/60/177342860.db2.gz QCBCXMRQTYBXLC-CMPLNLGQSA-N 1 1 232.302 2.785 10 30 BFEEMO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCS1 ZINC000131414666 325147808 /nfs/dbraw/zinc/14/78/08/325147808.db2.gz FQWFKRWMBNZWAZ-VIFPVBQESA-N 1 1 238.381 2.557 10 30 BFEEMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000131414666 325147809 /nfs/dbraw/zinc/14/78/09/325147809.db2.gz FQWFKRWMBNZWAZ-VIFPVBQESA-N 1 1 238.381 2.557 10 30 BFEEMO C=CCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000305187768 490448198 /nfs/dbraw/zinc/44/81/98/490448198.db2.gz QPOHCJSTSSCDGJ-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[N@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000305187768 490448205 /nfs/dbraw/zinc/44/82/05/490448205.db2.gz QPOHCJSTSSCDGJ-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=CCCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000305187768 490448207 /nfs/dbraw/zinc/44/82/07/490448207.db2.gz QPOHCJSTSSCDGJ-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=C(CC)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000313499707 491056391 /nfs/dbraw/zinc/05/63/91/491056391.db2.gz IKKLRRSIIITBTI-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=C(CC)C[N@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000313499707 491056393 /nfs/dbraw/zinc/05/63/93/491056393.db2.gz IKKLRRSIIITBTI-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C=C(CC)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000313499707 491056395 /nfs/dbraw/zinc/05/63/95/491056395.db2.gz IKKLRRSIIITBTI-LSDHHAIUSA-N 1 1 236.403 2.901 10 30 BFEEMO C[C@]([NH3+])(C#N)CCSCc1ccc(Cl)o1 ZINC000757166347 582547498 /nfs/dbraw/zinc/54/74/98/582547498.db2.gz SRBOBUCDEHEEBH-SNVBAGLBSA-N 1 1 244.747 2.797 10 30 BFEEMO C=C(Cl)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923653 534437745 /nfs/dbraw/zinc/43/77/45/534437745.db2.gz PFZCRBPOFHOODF-LBPRGKRZSA-N 1 1 239.750 2.581 10 30 BFEEMO C=C(Cl)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923653 534437752 /nfs/dbraw/zinc/43/77/52/534437752.db2.gz PFZCRBPOFHOODF-LBPRGKRZSA-N 1 1 239.750 2.581 10 30 BFEEMO C=CCCC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000303080897 534722343 /nfs/dbraw/zinc/72/23/43/534722343.db2.gz JNMUTFHEUHFCKY-KBPBESRZSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000303080897 534722345 /nfs/dbraw/zinc/72/23/45/534722345.db2.gz JNMUTFHEUHFCKY-KBPBESRZSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227381747 534719723 /nfs/dbraw/zinc/71/97/23/534719723.db2.gz ARAWTFXRPGJFGD-UONOGXRCSA-N 1 1 223.360 2.580 10 30 BFEEMO C=CCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000303080897 534722340 /nfs/dbraw/zinc/72/23/40/534722340.db2.gz JNMUTFHEUHFCKY-KBPBESRZSA-N 1 1 222.376 2.511 10 30 BFEEMO C=CCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000303520635 534723214 /nfs/dbraw/zinc/72/32/14/534723214.db2.gz UENLNOHMMKKANB-KBPBESRZSA-N 1 1 222.376 2.511 10 30 BFEEMO ON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000242723213 527642829 /nfs/dbraw/zinc/64/28/29/527642829.db2.gz YGUBLIFXKQYDAG-KBPBESRZSA-N 1 1 244.338 2.749 10 30 BFEEMO CCCCCCCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232971685 642637235 /nfs/dbraw/zinc/63/72/35/642637235.db2.gz AIVCQZCVHTZZIA-STQMWFEESA-N 1 1 212.381 2.626 10 30 BFEEMO CCCCCCCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232971685 642637241 /nfs/dbraw/zinc/63/72/41/642637241.db2.gz AIVCQZCVHTZZIA-STQMWFEESA-N 1 1 212.381 2.626 10 30 BFEEMO CCCCCCCC[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000232971685 642637249 /nfs/dbraw/zinc/63/72/49/642637249.db2.gz AIVCQZCVHTZZIA-STQMWFEESA-N 1 1 212.381 2.626 10 30 BFEEMO CCCCCCCC[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000232971685 642637252 /nfs/dbraw/zinc/63/72/52/642637252.db2.gz AIVCQZCVHTZZIA-STQMWFEESA-N 1 1 212.381 2.626 10 30 BFEEMO