smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000000159372 188453295 /nfs/dbraw/zinc/45/32/95/188453295.db2.gz JYXDRMQUJFWNKR-XNTDXEJSSA-N 1 0 231.682 3.601 10 30 BHEERO O=[N+](Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000434780 187408333 /nfs/dbraw/zinc/40/83/33/187408333.db2.gz HRFRFKGHIGSDJE-CXUHLZMHSA-N 1 0 249.672 3.740 10 30 BHEERO C(#Cc1cccc2ccccc12)C[NH+]1CCCCC1 ZINC000001305632 166225146 /nfs/dbraw/zinc/22/51/46/166225146.db2.gz OFVNYRMEVCAAMD-UHFFFAOYSA-N 1 0 249.357 3.677 10 30 BHEERO CCCCCCC[N+]1(CC)CCCCC1 ZINC000001559726 717088586 /nfs/dbraw/zinc/08/85/86/717088586.db2.gz NEHRNKRYGQRPBR-UHFFFAOYSA-N 1 0 212.401 3.977 10 30 BHEERO C=CCOc1c(C(C)C)cc(C[NH3+])cc1C(C)C ZINC000002029429 368739927 /nfs/dbraw/zinc/73/99/27/368739927.db2.gz ZGKMHRCTDDIMHI-UHFFFAOYSA-N 1 0 247.382 3.957 10 30 BHEERO C=CCOc1c(C[NH3+])cc(CCC)cc1CCC ZINC000002029531 355788069 /nfs/dbraw/zinc/78/80/69/355788069.db2.gz BVTIFLILMNFVDX-UHFFFAOYSA-N 1 0 247.382 3.615 10 30 BHEERO Cc1ccc(C)c(C[N+](=O)c2ccccc2)c1 ZINC000003172534 384000467 /nfs/dbraw/zinc/00/04/67/384000467.db2.gz WGLOMIODDHLLJH-WJDWOHSUSA-N 1 0 225.291 3.564 10 30 BHEERO C[C@H]1CC[C@H](CCCC[NH2+]CCS)[C@@H](C)C1 ZINC000003602226 177201135 /nfs/dbraw/zinc/20/11/35/177201135.db2.gz PTFMBDDBSWDCKR-IHRRRGAJSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@H](CCC[NH2+]CCS)C1CCCCC1 ZINC000003602232 342735105 /nfs/dbraw/zinc/73/51/05/342735105.db2.gz WESGSUJJUNEXCC-GFCCVEGCSA-N 1 0 229.433 3.502 10 30 BHEERO CCCC[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000003785166 487555335 /nfs/dbraw/zinc/55/53/35/487555335.db2.gz RBAZQAAINJJBRX-MRXNPFEDSA-N 1 0 242.366 3.538 10 30 BHEERO C=CCC[N@@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788580 368882748 /nfs/dbraw/zinc/88/27/48/368882748.db2.gz PNJAQRXFMJSZTD-NVXWUHKLSA-N 1 0 241.378 3.614 10 30 BHEERO CCC[NH+](CCC)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000003972213 169152452 /nfs/dbraw/zinc/15/24/52/169152452.db2.gz JTYVLKBMXTUORS-AWEZNQCLSA-N 1 0 249.398 3.711 10 30 BHEERO CCC[NH+](CCC)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000004631570 169150738 /nfs/dbraw/zinc/15/07/38/169150738.db2.gz JTYVLKBMXTUORS-CQSZACIVSA-N 1 0 249.398 3.711 10 30 BHEERO C[C@@H](CCC[NH2+]CCS)C1CCCCC1 ZINC000005420299 342763637 /nfs/dbraw/zinc/76/36/37/342763637.db2.gz WESGSUJJUNEXCC-LBPRGKRZSA-N 1 0 229.433 3.502 10 30 BHEERO C[C@@H]1CC[C@H](CCCC[NH2+]CCS)[C@H](C)C1 ZINC000005420374 176222782 /nfs/dbraw/zinc/22/27/82/176222782.db2.gz PTFMBDDBSWDCKR-MCIONIFRSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@@H]1CC[C@@H](CCCC[NH2+]CCS)[C@H](C)C1 ZINC000005420376 359657637 /nfs/dbraw/zinc/65/76/37/359657637.db2.gz PTFMBDDBSWDCKR-MGPQQGTHSA-N 1 0 243.460 3.748 10 30 BHEERO C=CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000005631304 166397843 /nfs/dbraw/zinc/39/78/43/166397843.db2.gz UVHSUQYOFHGVEA-UHFFFAOYSA-N 1 0 221.303 3.532 10 30 BHEERO C=CCC[NH2+][C@@H](CC=C)C1CCCCC1 ZINC000006562593 166267612 /nfs/dbraw/zinc/26/76/12/166267612.db2.gz DHMLVXJYDOBOEY-AWEZNQCLSA-N 1 0 207.361 3.677 10 30 BHEERO C=CCC[NH2+][C@H](CC=C)C1CCCCC1 ZINC000006562594 166266469 /nfs/dbraw/zinc/26/64/69/166266469.db2.gz DHMLVXJYDOBOEY-CQSZACIVSA-N 1 0 207.361 3.677 10 30 BHEERO C=CC[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC000013455502 166352490 /nfs/dbraw/zinc/35/24/90/166352490.db2.gz XEBDWKMBEAUGGR-UHFFFAOYSA-N 1 0 241.378 3.543 10 30 BHEERO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738277 343642715 /nfs/dbraw/zinc/64/27/15/343642715.db2.gz TYYIXERJKMDZBL-CZUORRHYSA-N 1 0 242.366 3.536 10 30 BHEERO CC[C@H](C)[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738278 171317439 /nfs/dbraw/zinc/31/74/39/171317439.db2.gz TYYIXERJKMDZBL-XJKSGUPXSA-N 1 0 242.366 3.536 10 30 BHEERO C#CC(C#C)=C1CCC([NH+](CCC)CCC)CC1 ZINC000013805529 166108295 /nfs/dbraw/zinc/10/82/95/166108295.db2.gz CFCGTXOJJUJIIE-UHFFFAOYSA-N 1 0 243.394 3.614 10 30 BHEERO C=CC[C@@H]1c2ccccc2CC[C@H]1[NH2+]CCC ZINC000013826012 188052058 /nfs/dbraw/zinc/05/20/58/188052058.db2.gz BZQXDYYMAHDTFU-HZPDHXFCSA-N 1 0 229.367 3.661 10 30 BHEERO N#CCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000019808983 181037449 /nfs/dbraw/zinc/03/74/49/181037449.db2.gz VZBPRLKVUHWDOX-UHFFFAOYSA-N 1 0 234.387 3.867 10 30 BHEERO C#CC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000019875475 166190744 /nfs/dbraw/zinc/19/07/44/166190744.db2.gz YNYLHHASGZBBJG-SFHVURJKSA-N 1 0 249.357 3.616 10 30 BHEERO C#CC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000019875476 166191824 /nfs/dbraw/zinc/19/18/24/166191824.db2.gz YNYLHHASGZBBJG-GOSISDBHSA-N 1 0 249.357 3.616 10 30 BHEERO C#CC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000019875479 166192417 /nfs/dbraw/zinc/19/24/17/166192417.db2.gz PMUNLKPHTIYKAY-CQSZACIVSA-N 1 0 235.330 3.637 10 30 BHEERO C#CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000019875480 166191130 /nfs/dbraw/zinc/19/11/30/166191130.db2.gz PMUNLKPHTIYKAY-AWEZNQCLSA-N 1 0 235.330 3.637 10 30 BHEERO C#CC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019875535 166192530 /nfs/dbraw/zinc/19/25/30/166192530.db2.gz CZNHKOIEAKGJKC-CYBMUJFWSA-N 1 0 247.341 3.542 10 30 BHEERO C#CC[NH2+][C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019875536 166190852 /nfs/dbraw/zinc/19/08/52/166190852.db2.gz CZNHKOIEAKGJKC-ZDUSSCGKSA-N 1 0 247.341 3.542 10 30 BHEERO C#CC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000019875614 166191307 /nfs/dbraw/zinc/19/13/07/166191307.db2.gz CUQLVXXYUYVATI-SFHVURJKSA-N 1 0 249.357 3.616 10 30 BHEERO C#CC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000019875615 166192505 /nfs/dbraw/zinc/19/25/05/166192505.db2.gz CUQLVXXYUYVATI-GOSISDBHSA-N 1 0 249.357 3.616 10 30 BHEERO C=CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019875831 385154957 /nfs/dbraw/zinc/15/49/57/385154957.db2.gz XMVXMRSVVOMVOH-LBPRGKRZSA-N 1 0 211.308 3.676 10 30 BHEERO C=CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019875883 385154764 /nfs/dbraw/zinc/15/47/64/385154764.db2.gz AAGCPVZYUVGKMY-LBPRGKRZSA-N 1 0 217.356 3.821 10 30 BHEERO C=CC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000019875951 187205785 /nfs/dbraw/zinc/20/57/85/187205785.db2.gz MXGVAWIMWDGGMG-LLVKDONJSA-N 1 0 229.323 3.832 10 30 BHEERO C=CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019876020 188173843 /nfs/dbraw/zinc/17/38/43/188173843.db2.gz PECAQEANTZZVKO-GFCCVEGCSA-N 1 0 203.329 3.647 10 30 BHEERO C=CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019876021 541372133 /nfs/dbraw/zinc/37/21/33/541372133.db2.gz PECAQEANTZZVKO-LBPRGKRZSA-N 1 0 203.329 3.647 10 30 BHEERO C=CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019876031 188004940 /nfs/dbraw/zinc/00/49/40/188004940.db2.gz SVVJMUCQDIQOQM-MRVPVSSYSA-N 1 0 230.138 3.830 10 30 BHEERO C=CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019876032 385153279 /nfs/dbraw/zinc/15/32/79/385153279.db2.gz SVVJMUCQDIQOQM-QMMMGPOBSA-N 1 0 230.138 3.830 10 30 BHEERO N#Cc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000020046428 181145283 /nfs/dbraw/zinc/14/52/83/181145283.db2.gz VHPQHEBNXUVSDD-UHFFFAOYSA-N 1 0 242.366 3.761 10 30 BHEERO C=CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084823 259387734 /nfs/dbraw/zinc/38/77/34/259387734.db2.gz UWIWDEBMWDWLFK-CYBMUJFWSA-N 1 0 233.355 3.558 10 30 BHEERO C=CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084824 259387729 /nfs/dbraw/zinc/38/77/29/259387729.db2.gz UWIWDEBMWDWLFK-ZDUSSCGKSA-N 1 0 233.355 3.558 10 30 BHEERO C=CCC[C@@H]1CCC[C@@H](c2cccs2)[NH2+]1 ZINC000021982133 166297218 /nfs/dbraw/zinc/29/72/18/166297218.db2.gz XRNTXWBNGPRTAH-NEPJUHHUSA-N 1 0 221.369 3.898 10 30 BHEERO C=CCC[C@H]1CCC[C@@H](c2cccs2)[NH2+]1 ZINC000021982135 166303827 /nfs/dbraw/zinc/30/38/27/166303827.db2.gz XRNTXWBNGPRTAH-RYUDHWBXSA-N 1 0 221.369 3.898 10 30 BHEERO C=CCC[C@@H]1CCC[C@H](c2cccs2)[NH2+]1 ZINC000021982137 166297128 /nfs/dbraw/zinc/29/71/28/166297128.db2.gz XRNTXWBNGPRTAH-VXGBXAGGSA-N 1 0 221.369 3.898 10 30 BHEERO C=CCC[C@H]1CCC[C@H](c2cccs2)[NH2+]1 ZINC000021982139 166304515 /nfs/dbraw/zinc/30/45/15/166304515.db2.gz XRNTXWBNGPRTAH-NWDGAFQWSA-N 1 0 221.369 3.898 10 30 BHEERO C=CC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026016969 356666771 /nfs/dbraw/zinc/66/67/71/356666771.db2.gz ZEZKMPQSDDFEQR-ZWKOTPCHSA-N 1 0 247.341 3.707 10 30 BHEERO C=CC[NH2+][C@@]12CCCC[C@@H]1CCc1ccccc12 ZINC000026156092 387023044 /nfs/dbraw/zinc/02/30/44/387023044.db2.gz WDUANPFUTATVQW-WBVHZDCISA-N 1 0 241.378 3.794 10 30 BHEERO CC[NH+](CC)CC#Cc1cccc2ccccc12 ZINC000026950620 359725418 /nfs/dbraw/zinc/72/54/18/359725418.db2.gz WTESTJOYRJZHOX-UHFFFAOYSA-N 1 0 237.346 3.533 10 30 BHEERO C=CC[N@@H+](C)C1(c2ccccc2)CCCCC1 ZINC000028260467 166320120 /nfs/dbraw/zinc/32/01/20/166320120.db2.gz OACOKDOAVXIOFK-UHFFFAOYSA-N 1 0 229.367 3.964 10 30 BHEERO C=CC[N+]1=C(C)C(C)(C)c2cc(Cl)ccc21 ZINC000028628031 371624825 /nfs/dbraw/zinc/62/48/25/371624825.db2.gz XEKDWWRPMCKNKR-UHFFFAOYSA-N 1 0 234.750 3.922 10 30 BHEERO c1ccn([NH+]=C2C=CC(=Nc3ccccc3)C=C2)c1 ZINC000028759017 188109986 /nfs/dbraw/zinc/10/99/86/188109986.db2.gz NGDBCQQOHCRUDS-UHFFFAOYSA-N 1 0 247.301 3.591 10 30 BHEERO C[C@@H]1CC[C@@H](CCCC[NH2+]CCS)[C@@H](C)C1 ZINC000031598732 350170557 /nfs/dbraw/zinc/17/05/57/350170557.db2.gz PTFMBDDBSWDCKR-HZSPNIEDSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@@H]1CC[C@H](CCCC[NH2+]CCS)[C@@H](C)C1 ZINC000031598741 177355914 /nfs/dbraw/zinc/35/59/14/177355914.db2.gz PTFMBDDBSWDCKR-RDBSUJKOSA-N 1 0 243.460 3.748 10 30 BHEERO CCCCCC/[NH+]=C/c1ccc(OC)cc1 ZINC000032163543 345734240 /nfs/dbraw/zinc/73/42/40/345734240.db2.gz JKQZHTHLOZMZQU-NTCAYCPXSA-N 1 0 219.328 3.694 10 30 BHEERO C=CC[NH+](CC=C)C12CC3CC(CC(C3)C1)C2 ZINC000033496151 345800325 /nfs/dbraw/zinc/80/03/25/345800325.db2.gz NXJGVQGXODRCEA-UHFFFAOYSA-N 1 0 231.383 3.629 10 30 BHEERO Cc1ccc(Cl)cc1NC(=[NH2+])c1ccccc1 ZINC000033885122 343262589 /nfs/dbraw/zinc/26/25/89/343262589.db2.gz LTGQGQUOWAAALE-UHFFFAOYSA-N 1 0 244.725 3.685 10 30 BHEERO C=CCCCC[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000034118243 345817934 /nfs/dbraw/zinc/81/79/34/345817934.db2.gz HTEWSSUFYSOJLU-GOEBONIOSA-N 1 0 247.382 3.665 10 30 BHEERO c1ccc(CC[NH+]=C2CCCCC2)cc1 ZINC000034406002 343270293 /nfs/dbraw/zinc/27/02/93/343270293.db2.gz BUDXUAVBGQCXOR-UHFFFAOYSA-N 1 0 201.313 3.634 10 30 BHEERO C=C1C[N@H+](Cc2ccccc2)Cc2ccccc21 ZINC000034483316 345835339 /nfs/dbraw/zinc/83/53/39/345835339.db2.gz QCZIPSXLARXEQO-UHFFFAOYSA-N 1 0 235.330 3.716 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034522473 345830836 /nfs/dbraw/zinc/83/08/36/345830836.db2.gz ZTFMZWGRODVBKA-HNNXBMFYSA-N 1 0 244.382 3.643 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034522474 345830747 /nfs/dbraw/zinc/83/07/47/345830747.db2.gz ZTFMZWGRODVBKA-OAHLLOKOSA-N 1 0 244.382 3.643 10 30 BHEERO C=C(C)CN(CC)c1ccccc1[C@H](C)[NH2+]CC ZINC000034840574 187208660 /nfs/dbraw/zinc/20/86/60/187208660.db2.gz CHKOQOWFJCTYMF-AWEZNQCLSA-N 1 0 246.398 3.760 10 30 BHEERO C=C(C)CN(CC)c1ccccc1[C@@H](C)[NH2+]CC ZINC000034840576 188233462 /nfs/dbraw/zinc/23/34/62/188233462.db2.gz CHKOQOWFJCTYMF-CQSZACIVSA-N 1 0 246.398 3.760 10 30 BHEERO C=CC[NH+](CC=C)C[C@@H](CC)CCCC ZINC000035052505 352478012 /nfs/dbraw/zinc/47/80/12/352478012.db2.gz PKRVTDDDDQCHKM-AWEZNQCLSA-N 1 0 209.377 3.877 10 30 BHEERO CC[C@@H]1CSC(Nc2ccc(C(C)C)cc2)=N1 ZINC000035082619 171113490 /nfs/dbraw/zinc/11/34/90/171113490.db2.gz DROUWTOEXXGYHC-GFCCVEGCSA-N 1 0 248.395 3.913 10 30 BHEERO CC[C@@H]1CSC(Nc2ccccc2C(C)C)=N1 ZINC000035082629 171113110 /nfs/dbraw/zinc/11/31/10/171113110.db2.gz YILZVKDPVOPQJI-LLVKDONJSA-N 1 0 248.395 3.913 10 30 BHEERO CC[C@@H]1CSC(Nc2cccc(C(C)C)c2)=N1 ZINC000035295233 171113168 /nfs/dbraw/zinc/11/31/68/171113168.db2.gz NLIVVLVBITUPFK-GFCCVEGCSA-N 1 0 248.395 3.913 10 30 BHEERO CCC[NH+](CCC)[C@@H]1CCCCC[C@@H]1C#N ZINC000037145905 169150890 /nfs/dbraw/zinc/15/08/90/169150890.db2.gz WCBCYALDTQVGQQ-ZIAGYGMSSA-N 1 0 222.376 3.581 10 30 BHEERO CCC[NH+](CCC)[C@H]1CCCCC[C@@H]1C#N ZINC000037145906 169152794 /nfs/dbraw/zinc/15/27/94/169152794.db2.gz WCBCYALDTQVGQQ-KGLIPLIRSA-N 1 0 222.376 3.581 10 30 BHEERO CCC[NH+](CCC)[C@@H]1CCCCC[C@H]1C#N ZINC000037145907 169151153 /nfs/dbraw/zinc/15/11/53/169151153.db2.gz WCBCYALDTQVGQQ-UONOGXRCSA-N 1 0 222.376 3.581 10 30 BHEERO CCC[NH+](CCC)[C@H]1CCCCC[C@H]1C#N ZINC000037145908 169151896 /nfs/dbraw/zinc/15/18/96/169151896.db2.gz WCBCYALDTQVGQQ-KBPBESRZSA-N 1 0 222.376 3.581 10 30 BHEERO CC[C@H](C)[N@H+](CC)[C@@H]1CCCCC[C@@H]1C#N ZINC000037147253 171312312 /nfs/dbraw/zinc/31/23/12/171312312.db2.gz OZXQDAARMUUENE-BFHYXJOUSA-N 1 0 222.376 3.579 10 30 BHEERO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000037284463 388247646 /nfs/dbraw/zinc/24/76/46/388247646.db2.gz BMIGOJDNBJCLPM-WFASDCNBSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000037284464 324565699 /nfs/dbraw/zinc/56/56/99/324565699.db2.gz BMIGOJDNBJCLPM-SWLSCSKDSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000037284465 324565658 /nfs/dbraw/zinc/56/56/58/324565658.db2.gz BMIGOJDNBJCLPM-DOMZBBRYSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000037284466 388247578 /nfs/dbraw/zinc/24/75/78/388247578.db2.gz BMIGOJDNBJCLPM-IUODEOHRSA-N 1 0 230.355 3.643 10 30 BHEERO C#CCCOc1ccccc1[C@H](CC)[NH2+]CCC ZINC000037705327 166150174 /nfs/dbraw/zinc/15/01/74/166150174.db2.gz ARLNBMBPAVMCMI-HNNXBMFYSA-N 1 0 245.366 3.539 10 30 BHEERO C#CCCOc1ccccc1[C@@H](CC)[NH2+]CCC ZINC000037705328 166150217 /nfs/dbraw/zinc/15/02/17/166150217.db2.gz ARLNBMBPAVMCMI-OAHLLOKOSA-N 1 0 245.366 3.539 10 30 BHEERO C=CCOc1ccc(C)cc1[C@@H](C)[NH2+]CCC ZINC000037710988 166423659 /nfs/dbraw/zinc/42/36/59/166423659.db2.gz FPQMXMPRYRJSJQ-CYBMUJFWSA-N 1 0 233.355 3.620 10 30 BHEERO C=C(C)COc1c(C)cc(C[C@@H]([NH3+])CC)cc1C ZINC000037723400 188152508 /nfs/dbraw/zinc/15/25/08/188152508.db2.gz HOOOGIGGKNKBGB-HNNXBMFYSA-N 1 0 247.382 3.538 10 30 BHEERO C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037910811 176110317 /nfs/dbraw/zinc/11/03/17/176110317.db2.gz PBLNWGRNKHSGLB-KBUPBQIOSA-N 1 0 248.414 3.825 10 30 BHEERO C[N@H+](CC1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000037925554 188114801 /nfs/dbraw/zinc/11/48/01/188114801.db2.gz INWBHBSMZZKMNA-RBSFLKMASA-N 1 0 248.414 3.683 10 30 BHEERO C[N@H+](CC1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N ZINC000037925557 187260682 /nfs/dbraw/zinc/26/06/82/187260682.db2.gz INWBHBSMZZKMNA-SOUVJXGZSA-N 1 0 248.414 3.683 10 30 BHEERO CC(C)CN[C@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000037939123 167014674 /nfs/dbraw/zinc/01/46/74/167014674.db2.gz QUWLPNDCYZBSPG-HIFRSBDPSA-N 1 0 236.403 3.731 10 30 BHEERO CC(C)CN[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000037939124 167012047 /nfs/dbraw/zinc/01/20/47/167012047.db2.gz QUWLPNDCYZBSPG-UKRRQHHQSA-N 1 0 236.403 3.731 10 30 BHEERO CC(C)CN[C@]1(C#N)CCCC[C@H]1C(C)(C)C ZINC000037939125 167014810 /nfs/dbraw/zinc/01/48/10/167014810.db2.gz QUWLPNDCYZBSPG-ZFWWWQNUSA-N 1 0 236.403 3.731 10 30 BHEERO CC(C)CN[C@@]1(C#N)CCCC[C@H]1C(C)(C)C ZINC000037939126 167011240 /nfs/dbraw/zinc/01/12/40/167011240.db2.gz QUWLPNDCYZBSPG-DZGCQCFKSA-N 1 0 236.403 3.731 10 30 BHEERO CC(C)CN[C@@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C ZINC000037939154 167011032 /nfs/dbraw/zinc/01/10/32/167011032.db2.gz XHNBMFMCSIUGEC-RBSFLKMASA-N 1 0 236.403 3.587 10 30 BHEERO CC(C)CN[C@@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037939155 167012334 /nfs/dbraw/zinc/01/23/34/167012334.db2.gz XHNBMFMCSIUGEC-RRFJBIMHSA-N 1 0 236.403 3.587 10 30 BHEERO C=CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030679 188354634 /nfs/dbraw/zinc/35/46/34/188354634.db2.gz QVECVRQTNXGNLZ-UHFFFAOYSA-N 1 0 229.348 3.691 10 30 BHEERO CC[C@H](C)N[C@]1(C#N)CCCC[C@@H]1C(C)(C)C ZINC000038064269 171349191 /nfs/dbraw/zinc/34/91/91/171349191.db2.gz HPWKZULCYHETSB-GUTXKFCHSA-N 1 0 236.403 3.873 10 30 BHEERO CC[C@H](C)N[C@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C ZINC000038064323 171348544 /nfs/dbraw/zinc/34/85/44/171348544.db2.gz JCPDAFVZHSFNBU-BARDWOONSA-N 1 0 236.403 3.729 10 30 BHEERO C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000038070532 517976367 /nfs/dbraw/zinc/97/63/67/517976367.db2.gz XQOBFJZEVQSPIG-LBPRGKRZSA-N 1 0 236.318 3.506 10 30 BHEERO CC[C@@H]([NH3+])c1cccc(-c2cccc(C#N)c2)c1 ZINC000038070556 170870753 /nfs/dbraw/zinc/87/07/53/170870753.db2.gz AGXWRUWMXZMRSA-MRXNPFEDSA-N 1 0 236.318 3.635 10 30 BHEERO N#CC1([NH+]2CCCCCC2)CCCCCCC1 ZINC000038086233 181029659 /nfs/dbraw/zinc/02/96/59/181029659.db2.gz KZWVLEOBSGMYKX-UHFFFAOYSA-N 1 0 234.387 3.869 10 30 BHEERO C[C@@H]1CC(C)(C)C[C@@](C#N)([NH+]2CCCCCC2)C1 ZINC000038086259 176052523 /nfs/dbraw/zinc/05/25/23/176052523.db2.gz UASJWRKSQQQYTN-ZBFHGGJFSA-N 1 0 248.414 3.971 10 30 BHEERO C[C@H]1CC(C)(C)C[C@@](C#N)([NH+]2CCCCCC2)C1 ZINC000038086260 177063780 /nfs/dbraw/zinc/06/37/80/177063780.db2.gz UASJWRKSQQQYTN-HOCLYGCPSA-N 1 0 248.414 3.971 10 30 BHEERO C[C@@H]1CC(C)(C)C[C@](C#N)([NH+]2CCCCCC2)C1 ZINC000038086261 176051931 /nfs/dbraw/zinc/05/19/31/176051931.db2.gz UASJWRKSQQQYTN-GDBMZVCRSA-N 1 0 248.414 3.971 10 30 BHEERO C[C@H]1CC(C)(C)C[C@](C#N)([NH+]2CCCCCC2)C1 ZINC000038086262 177063950 /nfs/dbraw/zinc/06/39/50/177063950.db2.gz UASJWRKSQQQYTN-GOEBONIOSA-N 1 0 248.414 3.971 10 30 BHEERO CC[C@H](C)C[C@](C#N)(CC)[NH+]1CCCCCC1 ZINC000038086266 171298829 /nfs/dbraw/zinc/29/88/29/171298829.db2.gz KKAHWZOYEWUWAH-GJZGRUSLSA-N 1 0 236.403 3.971 10 30 BHEERO CC[C@H](C)C[C@@](C#N)(CC)[NH+]1CCCCCC1 ZINC000038086268 171296404 /nfs/dbraw/zinc/29/64/04/171296404.db2.gz KKAHWZOYEWUWAH-LSDHHAIUSA-N 1 0 236.403 3.971 10 30 BHEERO C[C@](C#N)(C1CCCCC1)[NH+]1CCCCCC1 ZINC000038086294 177440617 /nfs/dbraw/zinc/44/06/17/177440617.db2.gz NASULHYVNMFGGF-HNNXBMFYSA-N 1 0 234.387 3.725 10 30 BHEERO CCCCCCCCCCCC[N@H+](C)CCO ZINC000038158616 358124190 /nfs/dbraw/zinc/12/41/90/358124190.db2.gz JOLMGYIWICXNDT-UHFFFAOYSA-N 1 0 243.435 3.831 10 30 BHEERO C=CC[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000038351214 368409218 /nfs/dbraw/zinc/40/92/18/368409218.db2.gz TYYUIQBMGHXYEL-ZDUSSCGKSA-N 1 0 225.335 3.533 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000038954305 350042179 /nfs/dbraw/zinc/04/21/79/350042179.db2.gz WQITUSWTLHPHHE-HNNXBMFYSA-N 1 0 244.382 3.643 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000038954306 348785767 /nfs/dbraw/zinc/78/57/67/348785767.db2.gz WQITUSWTLHPHHE-OAHLLOKOSA-N 1 0 244.382 3.643 10 30 BHEERO C[NH+]=C1C=C(Nc2ccccc2)CC(C)(C)C1 ZINC000039111110 173321709 /nfs/dbraw/zinc/32/17/09/173321709.db2.gz XTNQHXMPRJSBPL-VKAVYKQESA-N 1 0 228.339 3.682 10 30 BHEERO CC(C)[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1C#N ZINC000042518285 188294269 /nfs/dbraw/zinc/29/42/69/188294269.db2.gz JGMBEEQCWYUHJU-TZMCWYRMSA-N 1 0 248.395 3.651 10 30 BHEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000042557058 171046597 /nfs/dbraw/zinc/04/65/97/171046597.db2.gz QZXXWZDBJQPIEW-IIAWOOMASA-N 1 0 248.414 3.825 10 30 BHEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000042557061 171027031 /nfs/dbraw/zinc/02/70/31/171027031.db2.gz QZXXWZDBJQPIEW-IJEWVQPXSA-N 1 0 248.414 3.825 10 30 BHEERO CC(C)C[C@H](C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042582573 188120808 /nfs/dbraw/zinc/12/08/08/188120808.db2.gz UZUJZMVBTUHZPC-CBBWQLFWSA-N 1 0 236.403 3.681 10 30 BHEERO CC(C)[N@H+](CC1CC1)[C@H]1CCCCC[C@@H]1C#N ZINC000042582913 188293614 /nfs/dbraw/zinc/29/36/14/188293614.db2.gz MFQFDBQEIVDWQO-CABCVRRESA-N 1 0 234.387 3.579 10 30 BHEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](CC2CC2)C(C)C)C1 ZINC000042582943 171047072 /nfs/dbraw/zinc/04/70/72/171047072.db2.gz BXBOHNHIRNUMII-FVQBIDKESA-N 1 0 248.414 3.825 10 30 BHEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](CC2CC2)C(C)C)C1 ZINC000042582950 171026652 /nfs/dbraw/zinc/02/66/52/171026652.db2.gz BXBOHNHIRNUMII-VNQPRFMTSA-N 1 0 248.414 3.825 10 30 BHEERO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000042586270 374276306 /nfs/dbraw/zinc/27/63/06/374276306.db2.gz VEUDNLFOZPKYNU-WFASDCNBSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000042586273 374276077 /nfs/dbraw/zinc/27/60/77/374276077.db2.gz VEUDNLFOZPKYNU-SWLSCSKDSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000042586276 374276145 /nfs/dbraw/zinc/27/61/45/374276145.db2.gz VEUDNLFOZPKYNU-DOMZBBRYSA-N 1 0 230.355 3.643 10 30 BHEERO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000042586279 362010566 /nfs/dbraw/zinc/01/05/66/362010566.db2.gz VEUDNLFOZPKYNU-IUODEOHRSA-N 1 0 230.355 3.643 10 30 BHEERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607502 176079075 /nfs/dbraw/zinc/07/90/75/176079075.db2.gz ALOOHTPEFYPPRU-LVQVYYBASA-N 1 0 248.414 3.969 10 30 BHEERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607503 177080371 /nfs/dbraw/zinc/08/03/71/177080371.db2.gz ALOOHTPEFYPPRU-XUWVNRHRSA-N 1 0 248.414 3.969 10 30 BHEERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607504 176086520 /nfs/dbraw/zinc/08/65/20/176086520.db2.gz ALOOHTPEFYPPRU-KLHDSHLOSA-N 1 0 248.414 3.969 10 30 BHEERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000042607505 177087067 /nfs/dbraw/zinc/08/70/67/177087067.db2.gz ALOOHTPEFYPPRU-ZJIFWQFVSA-N 1 0 248.414 3.969 10 30 BHEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000042607518 177087330 /nfs/dbraw/zinc/08/73/30/177087330.db2.gz QMICHJPIXAUHAQ-YIDVYQOGSA-N 1 0 248.414 3.825 10 30 BHEERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607534 176079203 /nfs/dbraw/zinc/07/92/03/176079203.db2.gz JIHRAIKGSMPBSF-APIJFGDWSA-N 1 0 234.387 3.579 10 30 BHEERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607535 177080503 /nfs/dbraw/zinc/08/05/03/177080503.db2.gz JIHRAIKGSMPBSF-LJISPDSOSA-N 1 0 234.387 3.579 10 30 BHEERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607536 176086625 /nfs/dbraw/zinc/08/66/25/176086625.db2.gz JIHRAIKGSMPBSF-KBUPBQIOSA-N 1 0 234.387 3.579 10 30 BHEERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000042607537 177086577 /nfs/dbraw/zinc/08/65/77/177086577.db2.gz JIHRAIKGSMPBSF-GBJTYRQASA-N 1 0 234.387 3.579 10 30 BHEERO C[C@H]([N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N)C(C)(C)C ZINC000042763987 177196655 /nfs/dbraw/zinc/19/66/55/177196655.db2.gz BHQJOOLCJJWANU-IGQOVBAYSA-N 1 0 236.403 3.681 10 30 BHEERO CCCCCCCC[n+]1cccc(C)c1 ZINC000043099981 188121377 /nfs/dbraw/zinc/12/13/77/188121377.db2.gz AVFZRVATGMEQNJ-UHFFFAOYSA-N 1 0 206.353 3.643 10 30 BHEERO CCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+] ZINC000044306827 168650207 /nfs/dbraw/zinc/65/02/07/168650207.db2.gz WMUMHAZHWIUBPN-UONOGXRCSA-N 1 0 229.408 3.615 10 30 in-vitro BHEERO CC(C)C[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000045770039 188297467 /nfs/dbraw/zinc/29/74/67/188297467.db2.gz PFEFRWOOHYFYEP-GFCCVEGCSA-N 1 0 248.345 3.564 10 30 BHEERO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000045770092 188297934 /nfs/dbraw/zinc/29/79/34/188297934.db2.gz TVWFPDSDXMORBG-LBPRGKRZSA-N 1 0 248.345 3.564 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000047943413 384669601 /nfs/dbraw/zinc/66/96/01/384669601.db2.gz BMMCXKPVPMTCET-QMMMGPOBSA-N 1 0 215.749 3.628 10 30 BHEERO C=C(C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000047943415 384667625 /nfs/dbraw/zinc/66/76/25/384667625.db2.gz BMMCXKPVPMTCET-MRVPVSSYSA-N 1 0 215.749 3.628 10 30 BHEERO C[C@@H](c1cccs1)N(C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726799 176033325 /nfs/dbraw/zinc/03/33/25/176033325.db2.gz FTZMXEFMLCNIRR-YNEHKIRRSA-N 1 0 248.395 3.823 10 30 BHEERO C[C@H](c1cccs1)N(C)[C@@H]1CCCC[C@@H]1C#N ZINC000049726801 177049075 /nfs/dbraw/zinc/04/90/75/177049075.db2.gz FTZMXEFMLCNIRR-JHJVBQTASA-N 1 0 248.395 3.823 10 30 BHEERO CCCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CC ZINC000049800987 168821409 /nfs/dbraw/zinc/82/14/09/168821409.db2.gz PAOXEULBXRPPJE-CQSZACIVSA-N 1 0 244.382 3.959 10 30 BHEERO N#Cc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000049825112 181146074 /nfs/dbraw/zinc/14/60/74/181146074.db2.gz ZKQQIQBFHQUYSW-UHFFFAOYSA-N 1 0 240.350 3.538 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049855296 386657106 /nfs/dbraw/zinc/65/71/06/386657106.db2.gz UUCBZYNUTCMABB-JTQLQIEISA-N 1 0 209.720 3.567 10 30 BHEERO CCCC1CC[NH+]([C@H]2CCCC[C@@H]2C#N)CC1 ZINC000050893791 168608083 /nfs/dbraw/zinc/60/80/83/168608083.db2.gz TXRXUYBUXFTTCH-CABCVRRESA-N 1 0 234.387 3.581 10 30 BHEERO CCC(C=O)(CC)C[N@H+](C)C1CCCCCC1 ZINC000051177264 168311775 /nfs/dbraw/zinc/31/17/75/168311775.db2.gz FJYRGMSQBSHNEW-UHFFFAOYSA-N 1 0 239.403 3.646 10 30 BHEERO C[C@H]([N@H+](C)CC1(C=O)CCCCC1)C(C)(C)C ZINC000051177813 176743130 /nfs/dbraw/zinc/74/31/30/176743130.db2.gz LOCWBMDPLRJGGT-ZDUSSCGKSA-N 1 0 239.403 3.502 10 30 BHEERO CCC(C=O)(CC)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051178176 168310787 /nfs/dbraw/zinc/31/07/87/168310787.db2.gz QWLYLEXWXVSFKD-UONOGXRCSA-N 1 0 239.403 3.502 10 30 BHEERO CCC(C=O)(CC)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000051178178 168310999 /nfs/dbraw/zinc/31/09/99/168310999.db2.gz QWLYLEXWXVSFKD-KBPBESRZSA-N 1 0 239.403 3.502 10 30 BHEERO CCC(C=O)(CC)C[N@H+](C)C1CCC(C)CC1 ZINC000051179651 168311546 /nfs/dbraw/zinc/31/15/46/168311546.db2.gz AFYXOPDGSOYQCO-UHFFFAOYSA-N 1 0 239.403 3.502 10 30 BHEERO CCC(C=O)(CC)C[N@H+](C)CC1CCCCC1 ZINC000051204634 168311521 /nfs/dbraw/zinc/31/15/21/168311521.db2.gz CXGQJIOYMMXNSZ-UHFFFAOYSA-N 1 0 239.403 3.504 10 30 BHEERO C[C@@H]1CC[N@@H+]([C@@H]2CCCCC[C@@H]2C#N)[C@H](C)C1 ZINC000051731881 176180804 /nfs/dbraw/zinc/18/08/04/176180804.db2.gz JQJJNDUBORCWAA-KBUPBQIOSA-N 1 0 234.387 3.579 10 30 BHEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CC[C@H](C)C[C@@H]2C)C1 ZINC000051731909 171046543 /nfs/dbraw/zinc/04/65/43/171046543.db2.gz XQVPKNYNSMQYBW-AALSBFMBSA-N 1 0 248.414 3.825 10 30 BHEERO CCC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000051814278 636025635 /nfs/dbraw/zinc/02/56/35/636025635.db2.gz DAVDZTYVXFEOLX-UHFFFAOYSA-N 1 0 241.378 3.597 10 30 BHEERO Cc1ccccc1[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814324 322851945 /nfs/dbraw/zinc/85/19/45/322851945.db2.gz MEGISAOMQPQEDH-MRXNPFEDSA-N 1 0 249.357 3.697 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814325 384705663 /nfs/dbraw/zinc/70/56/63/384705663.db2.gz MEGISAOMQPQEDH-INIZCTEOSA-N 1 0 249.357 3.697 10 30 BHEERO CC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000051814443 384899222 /nfs/dbraw/zinc/89/92/22/384899222.db2.gz CZJRUPKFXGFLME-SFHVURJKSA-N 1 0 249.357 3.779 10 30 BHEERO CC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000051814444 384900091 /nfs/dbraw/zinc/90/00/91/384900091.db2.gz CZJRUPKFXGFLME-GOSISDBHSA-N 1 0 249.357 3.779 10 30 BHEERO C(#Cc1ccccc1)C[NH2+]CCC1=CCCCC1 ZINC000051814450 166225863 /nfs/dbraw/zinc/22/58/63/166225863.db2.gz BFMMMMFCKPSALA-UHFFFAOYSA-N 1 0 239.362 3.518 10 30 BHEERO C=C[C@@H](C)Oc1c(C)cc(C[NH2+]CCC)cc1C ZINC000052140972 187358377 /nfs/dbraw/zinc/35/83/77/187358377.db2.gz CTJUAZQHQWTPOL-CQSZACIVSA-N 1 0 247.382 3.756 10 30 BHEERO C=C[C@@H](C)Oc1ccccc1[C@H](CC)[NH2+]CC ZINC000052141258 188046787 /nfs/dbraw/zinc/04/67/87/188046787.db2.gz FSOYIPHISVIMEC-OCCSQVGLSA-N 1 0 233.355 3.701 10 30 BHEERO C=CCCOCc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052599374 166271180 /nfs/dbraw/zinc/27/11/80/166271180.db2.gz SLUPZLFLABDBSG-UHFFFAOYSA-N 1 0 247.382 3.667 10 30 BHEERO C=CCCOCc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052599630 166270495 /nfs/dbraw/zinc/27/04/95/166270495.db2.gz GSSXXNGXPKZCCK-UHFFFAOYSA-N 1 0 247.382 3.667 10 30 BHEERO C=CCCOCc1ccccc1C[NH2+]C(C)(C)C ZINC000052599705 166270821 /nfs/dbraw/zinc/27/08/21/166270821.db2.gz SOGWIAHOFOPUND-UHFFFAOYSA-N 1 0 247.382 3.667 10 30 BHEERO C=CCCOCc1ccccc1C[NH2+]CC(C)C ZINC000052599756 166271377 /nfs/dbraw/zinc/27/13/77/166271377.db2.gz QGDKWFIROAEXRA-UHFFFAOYSA-N 1 0 247.382 3.525 10 30 BHEERO C=CC[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000053566402 166398564 /nfs/dbraw/zinc/39/85/64/166398564.db2.gz JMRRAVSCCSKWEY-UHFFFAOYSA-N 1 0 247.382 3.529 10 30 BHEERO C=CC[NH2+]C[C@H](C)Oc1ccccc1[C@@H](C)CC ZINC000053567641 188401258 /nfs/dbraw/zinc/40/12/58/188401258.db2.gz VFGTZJBEWGELAK-KBPBESRZSA-N 1 0 247.382 3.743 10 30 BHEERO C=CC[NH2+]C[C@@H](C)Oc1cc(C)cc(C(C)C)c1 ZINC000053587265 188220308 /nfs/dbraw/zinc/22/03/08/188220308.db2.gz BGJXADFGQIRLDE-CQSZACIVSA-N 1 0 247.382 3.661 10 30 BHEERO C=CC[NH2+]CCSc1ccc(C(C)(C)C)cc1 ZINC000053619820 166399331 /nfs/dbraw/zinc/39/93/31/166399331.db2.gz KUJOGJSFZZJXSD-UHFFFAOYSA-N 1 0 249.423 3.852 10 30 BHEERO C=CC[NH2+]CCSc1ccc2ccccc2c1 ZINC000053621949 166399187 /nfs/dbraw/zinc/39/91/87/166399187.db2.gz YGIXKHWQHAWLIW-UHFFFAOYSA-N 1 0 243.375 3.708 10 30 BHEERO CCCC[C@H]([NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000054181167 169011500 /nfs/dbraw/zinc/01/15/00/169011500.db2.gz MSDNOBFIDMIOJG-ZFWWWQNUSA-N 1 0 230.355 3.667 10 30 BHEERO CCCC[C@H]([NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000054181171 169012309 /nfs/dbraw/zinc/01/23/09/169012309.db2.gz MSDNOBFIDMIOJG-HIFRSBDPSA-N 1 0 230.355 3.667 10 30 BHEERO CC#CC[C@H]([NH2+]C)c1cccc2ccccc21 ZINC000054439135 188222290 /nfs/dbraw/zinc/22/22/90/188222290.db2.gz QSNWMXGFJRRMAQ-INIZCTEOSA-N 1 0 223.319 3.514 10 30 BHEERO C#CC[C@@H]([NH2+]CC)c1cccc2ccccc21 ZINC000054439279 166204646 /nfs/dbraw/zinc/20/46/46/166204646.db2.gz FRYXSOMQSDNULH-MRXNPFEDSA-N 1 0 223.319 3.514 10 30 BHEERO CC#CC[C@@H]([NH2+]C)c1ccc2ccccc2c1 ZINC000054440814 187533526 /nfs/dbraw/zinc/53/35/26/187533526.db2.gz JVQGUGWKKWBJPY-MRXNPFEDSA-N 1 0 223.319 3.514 10 30 BHEERO CC#CC[C@@H]([NH2+]CC)c1ccc2ccccc2c1 ZINC000054441067 188221876 /nfs/dbraw/zinc/22/18/76/188221876.db2.gz ZQIZKFIFHSOKTJ-QGZVFWFLSA-N 1 0 237.346 3.904 10 30 BHEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000054823541 640410511 /nfs/dbraw/zinc/41/05/11/640410511.db2.gz UGBZJNOYQXGRQB-UKRRQHHQSA-N 1 0 234.387 3.771 10 30 BHEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000054823542 640411129 /nfs/dbraw/zinc/41/11/29/640411129.db2.gz UGBZJNOYQXGRQB-HIFRSBDPSA-N 1 0 234.387 3.771 10 30 BHEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000054823543 643675841 /nfs/dbraw/zinc/67/58/41/643675841.db2.gz UGBZJNOYQXGRQB-DZGCQCFKSA-N 1 0 234.387 3.771 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000054823544 640412319 /nfs/dbraw/zinc/41/23/19/640412319.db2.gz UGBZJNOYQXGRQB-ZFWWWQNUSA-N 1 0 234.387 3.771 10 30 BHEERO Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054825577 179282327 /nfs/dbraw/zinc/28/23/27/179282327.db2.gz SIUIVFMNLJBYGI-GDBMZVCRSA-N 1 0 242.366 3.557 10 30 BHEERO Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054825578 179284065 /nfs/dbraw/zinc/28/40/65/179284065.db2.gz SIUIVFMNLJBYGI-ZBFHGGJFSA-N 1 0 242.366 3.557 10 30 BHEERO Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1C#N ZINC000054825579 179282093 /nfs/dbraw/zinc/28/20/93/179282093.db2.gz SIUIVFMNLJBYGI-GOEBONIOSA-N 1 0 242.366 3.557 10 30 BHEERO Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054825580 179284292 /nfs/dbraw/zinc/28/42/92/179284292.db2.gz SIUIVFMNLJBYGI-HOCLYGCPSA-N 1 0 242.366 3.557 10 30 BHEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000054825621 344472626 /nfs/dbraw/zinc/47/26/26/344472626.db2.gz PXDSSYFQXAXWOD-HUUCEWRRSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000054825622 344472517 /nfs/dbraw/zinc/47/25/17/344472517.db2.gz PXDSSYFQXAXWOD-CABCVRRESA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000054825623 344472257 /nfs/dbraw/zinc/47/22/57/344472257.db2.gz PXDSSYFQXAXWOD-LSDHHAIUSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000054825624 344472553 /nfs/dbraw/zinc/47/25/53/344472553.db2.gz PXDSSYFQXAXWOD-GJZGRUSLSA-N 1 0 234.387 3.629 10 30 BHEERO CCC1CCC(C[NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054825765 168515201 /nfs/dbraw/zinc/51/52/01/168515201.db2.gz JHMYVEAHLCRHBX-SSHXOBKSSA-N 1 0 248.414 3.875 10 30 BHEERO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826432 640413939 /nfs/dbraw/zinc/41/39/39/640413939.db2.gz SSFQTFNGIOXWPG-BFHYXJOUSA-N 1 0 222.376 3.627 10 30 BHEERO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054826434 640412855 /nfs/dbraw/zinc/41/28/55/640412855.db2.gz SSFQTFNGIOXWPG-MJBXVCDLSA-N 1 0 222.376 3.627 10 30 BHEERO CCC1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000054826490 168523547 /nfs/dbraw/zinc/52/35/47/168523547.db2.gz HKPYUZBMDLPJQK-SHWKFHJASA-N 1 0 234.387 3.627 10 30 BHEERO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826643 640413882 /nfs/dbraw/zinc/41/38/82/640413882.db2.gz QVBRWGCJVVTQQT-BFHYXJOUSA-N 1 0 222.376 3.627 10 30 BHEERO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826647 643675409 /nfs/dbraw/zinc/67/54/09/643675409.db2.gz QVBRWGCJVVTQQT-MJBXVCDLSA-N 1 0 222.376 3.627 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826967 369100633 /nfs/dbraw/zinc/10/06/33/369100633.db2.gz IUKYXPOLYBQRAR-SQWLQELKSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054826969 369100887 /nfs/dbraw/zinc/10/08/87/369100887.db2.gz IUKYXPOLYBQRAR-LZWOXQAQSA-N 1 0 242.366 3.728 10 30 BHEERO CCCC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054827079 322857616 /nfs/dbraw/zinc/85/76/16/322857616.db2.gz JIXIJWFLGDVQBU-HXSCFSKGSA-N 1 0 234.387 3.627 10 30 BHEERO CCCC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054827081 384744429 /nfs/dbraw/zinc/74/44/29/384744429.db2.gz JIXIJWFLGDVQBU-JYVUQVBGSA-N 1 0 234.387 3.627 10 30 BHEERO CCCC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054827082 384745324 /nfs/dbraw/zinc/74/53/24/384745324.db2.gz JIXIJWFLGDVQBU-OOJKYFRXSA-N 1 0 234.387 3.627 10 30 BHEERO CCCC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054827083 384742143 /nfs/dbraw/zinc/74/21/43/384742143.db2.gz JIXIJWFLGDVQBU-SHWKFHJASA-N 1 0 234.387 3.627 10 30 BHEERO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cccs1 ZINC000054827140 188126933 /nfs/dbraw/zinc/12/69/33/188126933.db2.gz MUFINPLGWYMPRJ-BZPMIXESSA-N 1 0 248.395 3.727 10 30 BHEERO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cccs1 ZINC000054827143 188300569 /nfs/dbraw/zinc/30/05/69/188300569.db2.gz MUFINPLGWYMPRJ-DYEKYZERSA-N 1 0 248.395 3.727 10 30 BHEERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054827191 178896082 /nfs/dbraw/zinc/89/60/82/178896082.db2.gz SYLISOIGXBGLEF-NUEKZKHPSA-N 1 0 242.366 3.728 10 30 BHEERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054828140 322857623 /nfs/dbraw/zinc/85/76/23/322857623.db2.gz IQSYMBQINCQMTL-HZPDHXFCSA-N 1 0 242.366 3.592 10 30 BHEERO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000054828143 322857468 /nfs/dbraw/zinc/85/74/68/322857468.db2.gz IQSYMBQINCQMTL-CVEARBPZSA-N 1 0 242.366 3.592 10 30 BHEERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000054828147 384745148 /nfs/dbraw/zinc/74/51/48/384745148.db2.gz IQSYMBQINCQMTL-JKSUJKDBSA-N 1 0 242.366 3.592 10 30 BHEERO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000054828150 322857731 /nfs/dbraw/zinc/85/77/31/322857731.db2.gz IQSYMBQINCQMTL-HOTGVXAUSA-N 1 0 242.366 3.592 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054829214 344473883 /nfs/dbraw/zinc/47/38/83/344473883.db2.gz CBLPPSLWARTNJB-OWCLPIDISA-N 1 0 242.366 3.810 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054829220 344473944 /nfs/dbraw/zinc/47/39/44/344473944.db2.gz CBLPPSLWARTNJB-PMPSAXMXSA-N 1 0 242.366 3.810 10 30 BHEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000054829362 369102369 /nfs/dbraw/zinc/10/23/69/369102369.db2.gz NMFQBAWZXVKCAG-HUUCEWRRSA-N 1 0 232.371 3.549 10 30 BHEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000054829364 369101770 /nfs/dbraw/zinc/10/17/70/369101770.db2.gz NMFQBAWZXVKCAG-CABCVRRESA-N 1 0 232.371 3.549 10 30 BHEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000054829366 369102359 /nfs/dbraw/zinc/10/23/59/369102359.db2.gz NMFQBAWZXVKCAG-LSDHHAIUSA-N 1 0 232.371 3.549 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000054829368 369102345 /nfs/dbraw/zinc/10/23/45/369102345.db2.gz NMFQBAWZXVKCAG-GJZGRUSLSA-N 1 0 232.371 3.549 10 30 BHEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCCCC1 ZINC000054829668 369102166 /nfs/dbraw/zinc/10/21/66/369102166.db2.gz IHZACEKHGMDROE-NWANDNLSSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCCCC1 ZINC000054829673 369101792 /nfs/dbraw/zinc/10/17/92/369101792.db2.gz IHZACEKHGMDROE-CFVMTHIKSA-N 1 0 234.387 3.627 10 30 BHEERO CC(C)C[C@H](C)[NH2+][C@@H](CC#N)c1ccccc1 ZINC000055016422 188127485 /nfs/dbraw/zinc/12/74/85/188127485.db2.gz RCLIWBHOEMLDGT-ZFWWWQNUSA-N 1 0 230.355 3.666 10 30 BHEERO CC(C)C[C@H](C)[NH2+][C@H](CC#N)c1ccccc1 ZINC000055016426 188126827 /nfs/dbraw/zinc/12/68/27/188126827.db2.gz RCLIWBHOEMLDGT-DZGCQCFKSA-N 1 0 230.355 3.666 10 30 BHEERO CCC[NH+](CCC)[C@@H](CC#N)c1ccccc1 ZINC000055019931 169151368 /nfs/dbraw/zinc/15/13/68/169151368.db2.gz AHZOXUCDNJVGRE-HNNXBMFYSA-N 1 0 230.355 3.763 10 30 BHEERO CCC[NH+](CCC)[C@H](CC#N)c1ccccc1 ZINC000055019933 169152068 /nfs/dbraw/zinc/15/20/68/169152068.db2.gz AHZOXUCDNJVGRE-OAHLLOKOSA-N 1 0 230.355 3.763 10 30 BHEERO CCC[N@H+](C(C)C)[C@@H](CC#N)c1ccccc1 ZINC000055020079 169049494 /nfs/dbraw/zinc/04/94/94/169049494.db2.gz PJPHAZLXUYOJIF-HNNXBMFYSA-N 1 0 230.355 3.762 10 30 BHEERO CCC[N@H+](C(C)C)[C@H](CC#N)c1ccccc1 ZINC000055020081 169048819 /nfs/dbraw/zinc/04/88/19/169048819.db2.gz PJPHAZLXUYOJIF-OAHLLOKOSA-N 1 0 230.355 3.762 10 30 BHEERO CCC[C@@H](C)[N@H+](C)[C@@H](CC#N)c1ccccc1 ZINC000055020186 169366296 /nfs/dbraw/zinc/36/62/96/169366296.db2.gz LOUYDODYWVORLC-HIFRSBDPSA-N 1 0 230.355 3.762 10 30 BHEERO C[C@@H]1CC[N@H+]([C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000055020703 176180546 /nfs/dbraw/zinc/18/05/46/176180546.db2.gz GKYDASHXCJKFSC-FMKPAKJESA-N 1 0 242.366 3.762 10 30 BHEERO CCCCCCC[C@@H](CN)[N@H+](CC)[C@@H](C)CC ZINC000059174210 168657247 /nfs/dbraw/zinc/65/72/47/168657247.db2.gz QCZJXSHQWJTUNO-GJZGRUSLSA-N 1 0 242.451 3.795 10 30 BHEERO CCCCCCC[N+](CC)(CC)CC ZINC000059703527 717131643 /nfs/dbraw/zinc/13/16/43/717131643.db2.gz MEJYOZOPFBOWNM-UHFFFAOYSA-N 1 0 200.390 3.833 10 30 BHEERO CC1(C)CC[NH+]([C@@H]2CCCCC[C@H]2C#N)CC1 ZINC000061819951 167923083 /nfs/dbraw/zinc/92/30/83/167923083.db2.gz KKRUGCTZIDMPHN-UONOGXRCSA-N 1 0 234.387 3.581 10 30 BHEERO CC[C@@H]1CC[C@H](C#N)[C@H]([NH+]2CCC(C)(C)CC2)C1 ZINC000061819962 171046581 /nfs/dbraw/zinc/04/65/81/171046581.db2.gz UKGRKZINRVXNHN-RBSFLKMASA-N 1 0 248.414 3.827 10 30 BHEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+]2CCC(C)(C)CC2)C1 ZINC000061819964 171026685 /nfs/dbraw/zinc/02/66/85/171026685.db2.gz UKGRKZINRVXNHN-QLFBSQMISA-N 1 0 248.414 3.827 10 30 BHEERO CC(C)(C)C1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891099 322859170 /nfs/dbraw/zinc/85/91/70/322859170.db2.gz HOONOBZSHLSOQQ-XSCHDIRWSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)(C)C1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891100 322859176 /nfs/dbraw/zinc/85/91/76/322859176.db2.gz HOONOBZSHLSOQQ-URGYJCLVSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)(C)C1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891101 322859135 /nfs/dbraw/zinc/85/91/35/322859135.db2.gz HOONOBZSHLSOQQ-VXGQWTEUSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)(C)C1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000061891102 322859182 /nfs/dbraw/zinc/85/91/82/322859182.db2.gz HOONOBZSHLSOQQ-PPWQZUPISA-N 1 0 248.414 3.873 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000061891430 398107764 /nfs/dbraw/zinc/10/77/64/398107764.db2.gz JFPTVNYNMQFHIY-VHDGCEQUSA-N 1 0 246.329 3.559 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000061891432 398108051 /nfs/dbraw/zinc/10/80/51/398108051.db2.gz JFPTVNYNMQFHIY-SNPRPXQTSA-N 1 0 246.329 3.559 10 30 BHEERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891574 384755401 /nfs/dbraw/zinc/75/54/01/384755401.db2.gz MXMUGKRMGSGLSI-UKRRQHHQSA-N 1 0 236.403 3.729 10 30 BHEERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891575 384753905 /nfs/dbraw/zinc/75/39/05/384753905.db2.gz MXMUGKRMGSGLSI-HIFRSBDPSA-N 1 0 236.403 3.729 10 30 BHEERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061891576 166779134 /nfs/dbraw/zinc/77/91/34/166779134.db2.gz MXMUGKRMGSGLSI-DZGCQCFKSA-N 1 0 236.403 3.729 10 30 BHEERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000061891577 384755919 /nfs/dbraw/zinc/75/59/19/384755919.db2.gz MXMUGKRMGSGLSI-ZFWWWQNUSA-N 1 0 236.403 3.729 10 30 BHEERO N#C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061892282 181070061 /nfs/dbraw/zinc/07/00/61/181070061.db2.gz AINGLAPZOWZOEG-UYJHQMFVSA-N 1 0 246.398 3.627 10 30 BHEERO C=C[C@@H](C)Oc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731382 188405648 /nfs/dbraw/zinc/40/56/48/188405648.db2.gz DCWZOTUREUCSIX-GFCCVEGCSA-N 1 0 233.355 3.528 10 30 BHEERO C=CC[C@@H]([NH2+]CCC)C(C)(C)c1ccccc1 ZINC000062773601 188405034 /nfs/dbraw/zinc/40/50/34/188405034.db2.gz HVNIQPDICXIUHB-OAHLLOKOSA-N 1 0 231.383 3.909 10 30 BHEERO C=C[C@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]CCC ZINC000062799949 187534755 /nfs/dbraw/zinc/53/47/55/187534755.db2.gz SZZSQLUSUQWZOU-WFASDCNBSA-N 1 0 245.366 3.627 10 30 BHEERO C=CC[C@@H]([NH2+]CCC)c1ccc2ncccc2c1 ZINC000062802471 187534961 /nfs/dbraw/zinc/53/49/61/187534961.db2.gz CFPJKBWUJGWVMM-OAHLLOKOSA-N 1 0 240.350 3.852 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953890 181058988 /nfs/dbraw/zinc/05/89/88/181058988.db2.gz ZOAMHAAJDPXTJO-GJZGRUSLSA-N 1 0 246.398 3.725 10 30 BHEERO N#C[C@@H]1CCCC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953891 181058713 /nfs/dbraw/zinc/05/87/13/181058713.db2.gz ZOAMHAAJDPXTJO-LSDHHAIUSA-N 1 0 246.398 3.725 10 30 BHEERO N#C[C@H]1CCCC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953892 181067151 /nfs/dbraw/zinc/06/71/51/181067151.db2.gz ZOAMHAAJDPXTJO-CABCVRRESA-N 1 0 246.398 3.725 10 30 BHEERO N#C[C@H]1CCCC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953893 181069062 /nfs/dbraw/zinc/06/90/62/181069062.db2.gz ZOAMHAAJDPXTJO-HUUCEWRRSA-N 1 0 246.398 3.725 10 30 BHEERO CCC[C@@](C)(C=O)C[NH+]1CCC(C)(CC)CC1 ZINC000062956831 169446549 /nfs/dbraw/zinc/44/65/49/169446549.db2.gz JUZAXGSEFDKARV-OAHLLOKOSA-N 1 0 239.403 3.504 10 30 BHEERO CC(=[NH2+])Nc1c(Cl)cc(Cl)cc1Cl ZINC000062986897 349863951 /nfs/dbraw/zinc/86/39/51/349863951.db2.gz UKKBZGFIBASJBW-UHFFFAOYSA-N 1 0 237.517 3.655 10 30 BHEERO CC(=[NH2+])Nc1cc(Cl)c(Cl)cc1Cl ZINC000062986957 343746958 /nfs/dbraw/zinc/74/69/58/343746958.db2.gz YZQLWIJLJFUSOI-UHFFFAOYSA-N 1 0 237.517 3.655 10 30 BHEERO [NH2+]=C(Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000062988035 181183042 /nfs/dbraw/zinc/18/30/42/181183042.db2.gz SPTWOLKKDMEKRQ-UHFFFAOYSA-N 1 0 248.688 3.516 10 30 BHEERO [NH2+]=C(Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000062988109 349503448 /nfs/dbraw/zinc/50/34/48/349503448.db2.gz WZKXMTGHRVPKJC-UHFFFAOYSA-N 1 0 248.688 3.516 10 30 BHEERO CCCC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000062988315 343747188 /nfs/dbraw/zinc/74/71/88/343747188.db2.gz VCTGUEFXKLPXFG-UHFFFAOYSA-N 1 0 231.126 3.782 10 30 BHEERO CCCC(=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000062988549 349864762 /nfs/dbraw/zinc/86/47/62/349864762.db2.gz LZXQTFJJHGPCNW-UHFFFAOYSA-N 1 0 231.126 3.782 10 30 BHEERO CC(C)C(=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000062988550 349864589 /nfs/dbraw/zinc/86/45/89/349864589.db2.gz BIRISCIXPXHGPU-UHFFFAOYSA-N 1 0 231.126 3.638 10 30 BHEERO CCCC(=[NH2+])Nc1cc(Cl)cc(Cl)c1 ZINC000062988800 349864650 /nfs/dbraw/zinc/86/46/50/349864650.db2.gz IOBARVAFEIZFQD-UHFFFAOYSA-N 1 0 231.126 3.782 10 30 BHEERO CC(C)C(=[NH2+])Nc1cc(Cl)cc(Cl)c1 ZINC000062988801 349865506 /nfs/dbraw/zinc/86/55/06/349865506.db2.gz RVSMGBVIHBYOKK-UHFFFAOYSA-N 1 0 231.126 3.638 10 30 BHEERO CCCC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000062989375 350100000 /nfs/dbraw/zinc/10/00/00/350100000.db2.gz WCRDVFZNFGOQNS-UHFFFAOYSA-N 1 0 231.126 3.782 10 30 BHEERO CC(C)C(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000062989376 350099943 /nfs/dbraw/zinc/09/99/43/350099943.db2.gz RFJRHYJHMUAMHM-UHFFFAOYSA-N 1 0 231.126 3.638 10 30 BHEERO CC1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000063145387 168156943 /nfs/dbraw/zinc/15/69/43/168156943.db2.gz SKRFWVUMWSHEFX-QDIHITRGSA-N 1 0 248.414 3.875 10 30 BHEERO CC1CCC(C[NH2+][C@@H]2CCCCC[C@H]2C#N)CC1 ZINC000063145390 168156201 /nfs/dbraw/zinc/15/62/01/168156201.db2.gz SKRFWVUMWSHEFX-SSHXOBKSSA-N 1 0 248.414 3.875 10 30 BHEERO C#CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070190949 642988934 /nfs/dbraw/zinc/98/89/34/642988934.db2.gz WYAIMOJWLRFWKP-VIFPVBQESA-N 1 0 242.149 3.667 10 30 BHEERO C#CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070190951 642989975 /nfs/dbraw/zinc/98/99/75/642989975.db2.gz WYAIMOJWLRFWKP-SECBINFHSA-N 1 0 242.149 3.667 10 30 BHEERO C#CCC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000070191056 642990924 /nfs/dbraw/zinc/99/09/24/642990924.db2.gz SCVACIBHMHGNSK-UHFFFAOYSA-N 1 0 221.388 3.594 10 30 BHEERO C#CCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000070197425 642996873 /nfs/dbraw/zinc/99/68/73/642996873.db2.gz PUWKFXJOBPJWQB-CQSZACIVSA-N 1 0 229.367 3.559 10 30 BHEERO C#CCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000070197426 642997654 /nfs/dbraw/zinc/99/76/54/642997654.db2.gz PUWKFXJOBPJWQB-AWEZNQCLSA-N 1 0 229.367 3.559 10 30 BHEERO C#CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000070197435 642997834 /nfs/dbraw/zinc/99/78/34/642997834.db2.gz FYWRKCHSJQEZLY-ZDUSSCGKSA-N 1 0 223.319 3.514 10 30 BHEERO C#CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000070197436 642997045 /nfs/dbraw/zinc/99/70/45/642997045.db2.gz FYWRKCHSJQEZLY-CYBMUJFWSA-N 1 0 223.319 3.514 10 30 BHEERO C#CCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000070245806 643005176 /nfs/dbraw/zinc/00/51/76/643005176.db2.gz CLKDWJBQIPSZPR-ZDUSSCGKSA-N 1 0 229.367 3.658 10 30 BHEERO C#CCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000070245808 643004882 /nfs/dbraw/zinc/00/48/82/643004882.db2.gz CLKDWJBQIPSZPR-CYBMUJFWSA-N 1 0 229.367 3.658 10 30 BHEERO C=CCC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000070594101 361578771 /nfs/dbraw/zinc/57/87/71/361578771.db2.gz UBOZDFONGFABRE-NSHDSACASA-N 1 0 229.245 3.671 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000070594102 361578742 /nfs/dbraw/zinc/57/87/42/361578742.db2.gz UBOZDFONGFABRE-LLVKDONJSA-N 1 0 229.245 3.671 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000070594105 361578826 /nfs/dbraw/zinc/57/88/26/361578826.db2.gz YFFNCODFLHDPIL-CQSZACIVSA-N 1 0 203.329 3.776 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000070594106 361578793 /nfs/dbraw/zinc/57/87/93/361578793.db2.gz YFFNCODFLHDPIL-AWEZNQCLSA-N 1 0 203.329 3.776 10 30 BHEERO C=CCC[C@H]([NH3+])c1cccc2ccccc21 ZINC000070594940 361578894 /nfs/dbraw/zinc/57/88/94/361578894.db2.gz CTSFUOKGRARCOW-HNNXBMFYSA-N 1 0 211.308 3.806 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000070594941 361578523 /nfs/dbraw/zinc/57/85/23/361578523.db2.gz CTSFUOKGRARCOW-OAHLLOKOSA-N 1 0 211.308 3.806 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000070594942 353259955 /nfs/dbraw/zinc/25/99/55/353259955.db2.gz FHJVHXQXQKDVQY-HNNXBMFYSA-N 1 0 211.308 3.806 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000070594943 361578559 /nfs/dbraw/zinc/57/85/59/361578559.db2.gz FHJVHXQXQKDVQY-OAHLLOKOSA-N 1 0 211.308 3.806 10 30 BHEERO C=C[C@@H](C)Oc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407231 188579213 /nfs/dbraw/zinc/57/92/13/188579213.db2.gz QZLDMZKFYCYDCS-CQSZACIVSA-N 1 0 247.382 3.694 10 30 BHEERO C=C(C)COc1ccc(C[C@H](C)[NH2+]CCC)cc1 ZINC000071444355 188269455 /nfs/dbraw/zinc/26/94/55/188269455.db2.gz SHDZRHHOOAKQGA-AWEZNQCLSA-N 1 0 247.382 3.572 10 30 BHEERO C=C(C)COc1ccc(C[C@@H](C)[NH2+]CCC)cc1 ZINC000071444356 187581119 /nfs/dbraw/zinc/58/11/19/187581119.db2.gz SHDZRHHOOAKQGA-CQSZACIVSA-N 1 0 247.382 3.572 10 30 BHEERO CC[C@@]1(OC)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000071791067 171214518 /nfs/dbraw/zinc/21/45/18/171214518.db2.gz HFSYKOPHVPRULB-UDLNKVAWSA-N 1 0 241.334 3.745 10 30 BHEERO C=C(C)C[N@@H+](CC)Cc1ccc2ccccc2n1 ZINC000072817406 325177124 /nfs/dbraw/zinc/17/71/24/325177124.db2.gz QJUNRGKJJOEFSP-UHFFFAOYSA-N 1 0 240.350 3.633 10 30 BHEERO C=CCCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000076734294 353340528 /nfs/dbraw/zinc/34/05/28/353340528.db2.gz MXXMCFTZACARTE-UHFFFAOYSA-N 1 0 240.350 3.633 10 30 BHEERO CCCCCCCCCC[n+]1ccn(C)c1C ZINC000079594270 520024947 /nfs/dbraw/zinc/02/49/47/520024947.db2.gz KRUCABBEJFQKBD-UHFFFAOYSA-N 1 0 237.411 3.762 10 30 BHEERO CC1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000079678695 370685123 /nfs/dbraw/zinc/68/51/23/370685123.db2.gz BIXZFKXPRUTBBU-TZMCWYRMSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000079678699 370685387 /nfs/dbraw/zinc/68/53/87/370685387.db2.gz BIXZFKXPRUTBBU-OCCSQVGLSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000079678702 370685507 /nfs/dbraw/zinc/68/55/07/370685507.db2.gz BIXZFKXPRUTBBU-GXTWGEPZSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000079678704 370685878 /nfs/dbraw/zinc/68/58/78/370685878.db2.gz BIXZFKXPRUTBBU-JSGCOSHPSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000080434042 325480902 /nfs/dbraw/zinc/48/09/02/325480902.db2.gz VJNABELTLOQSEW-ZENOOKHLSA-N 1 0 242.366 3.788 10 30 BHEERO N#Cc1cc(C[NH2+]C2CCCCCC2)ccc1F ZINC000083375474 181085481 /nfs/dbraw/zinc/08/54/81/181085481.db2.gz APGLOOHUHNCGSG-UHFFFAOYSA-N 1 0 246.329 3.510 10 30 BHEERO C=CC[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000083381803 398278142 /nfs/dbraw/zinc/27/81/42/398278142.db2.gz PUTNEMCNGDRFND-UHFFFAOYSA-N 1 0 249.663 3.634 10 30 BHEERO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccs1 ZINC000083640848 136211507 /nfs/dbraw/zinc/21/15/07/136211507.db2.gz QVIGCZOWUQMRMZ-NSHDSACASA-N 1 0 236.384 3.729 10 30 BHEERO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccs1 ZINC000083640849 136211555 /nfs/dbraw/zinc/21/15/55/136211555.db2.gz QVIGCZOWUQMRMZ-LLVKDONJSA-N 1 0 236.384 3.729 10 30 BHEERO C=C[C@H]([NH2+]CCC)c1ccc(Cl)cc1 ZINC000083944981 368845353 /nfs/dbraw/zinc/84/53/53/368845353.db2.gz FVIDLSSTBIKMCY-LBPRGKRZSA-N 1 0 209.720 3.567 10 30 BHEERO C=C[C@@H]([NH2+]CCC)c1ccc(Cl)cc1 ZINC000083944984 343511006 /nfs/dbraw/zinc/51/10/06/343511006.db2.gz FVIDLSSTBIKMCY-GFCCVEGCSA-N 1 0 209.720 3.567 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000085065088 344496321 /nfs/dbraw/zinc/49/63/21/344496321.db2.gz BJDCABLSJSOIBJ-APIJFGDWSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccs1 ZINC000086500128 386161384 /nfs/dbraw/zinc/16/13/84/386161384.db2.gz XTWKVNSANSIUIC-VIFPVBQESA-N 1 0 248.376 3.532 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000086908673 385938221 /nfs/dbraw/zinc/93/82/21/385938221.db2.gz IZVWDZTTWBQDDH-APIJFGDWSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000086908684 385940049 /nfs/dbraw/zinc/94/00/49/385940049.db2.gz OWAYPJPIPCRNMW-HZSPNIEDSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000086908690 385963696 /nfs/dbraw/zinc/96/36/96/385963696.db2.gz OWAYPJPIPCRNMW-RDBSUJKOSA-N 1 0 234.387 3.627 10 30 BHEERO CCc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000087591404 256527575 /nfs/dbraw/zinc/52/75/75/256527575.db2.gz HSNPSKZXDQOQEX-CYBMUJFWSA-N 1 0 244.382 3.839 10 30 BHEERO CCc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000087591405 384389288 /nfs/dbraw/zinc/38/92/88/384389288.db2.gz HSNPSKZXDQOQEX-ZDUSSCGKSA-N 1 0 244.382 3.839 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000087591725 136211900 /nfs/dbraw/zinc/21/19/00/136211900.db2.gz FOQMUTBUKWWPEI-ZDUSSCGKSA-N 1 0 230.355 3.586 10 30 BHEERO Cc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000087597539 383854108 /nfs/dbraw/zinc/85/41/08/383854108.db2.gz OITNNFZZFMARSZ-GFCCVEGCSA-N 1 0 234.343 3.569 10 30 BHEERO Cc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000087597542 383854066 /nfs/dbraw/zinc/85/40/66/383854066.db2.gz OITNNFZZFMARSZ-LBPRGKRZSA-N 1 0 234.343 3.569 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000087597741 134425445 /nfs/dbraw/zinc/42/54/45/134425445.db2.gz YZCPDDCGDRVNOY-AWEZNQCLSA-N 1 0 244.382 3.976 10 30 BHEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000088511473 344240611 /nfs/dbraw/zinc/24/06/11/344240611.db2.gz LMBFNDIDCHROIJ-APIJFGDWSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@@H]1C[C@@H](C)CC[C@@H]1CCCC[NH2+]CCS ZINC000090745338 177201223 /nfs/dbraw/zinc/20/12/23/177201223.db2.gz PTFMBDDBSWDCKR-MJBXVCDLSA-N 1 0 243.460 3.748 10 30 BHEERO CCCCCCCCCSCCC[NH3+] ZINC000091301027 168651226 /nfs/dbraw/zinc/65/12/26/168651226.db2.gz QZZQMQOGWWRIJJ-UHFFFAOYSA-N 1 0 217.422 3.819 10 30 BHEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000093335477 360232470 /nfs/dbraw/zinc/23/24/70/360232470.db2.gz SCXYAKBEJWJJJZ-CYBMUJFWSA-N 1 0 246.354 3.746 10 30 BHEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000093335478 360233196 /nfs/dbraw/zinc/23/31/96/360233196.db2.gz SCXYAKBEJWJJJZ-ZDUSSCGKSA-N 1 0 246.354 3.746 10 30 BHEERO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000094325266 356760985 /nfs/dbraw/zinc/76/09/85/356760985.db2.gz UXVGNXLCNDIBKW-MCIONIFRSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000094325268 356760980 /nfs/dbraw/zinc/76/09/80/356760980.db2.gz UXVGNXLCNDIBKW-RDBSUJKOSA-N 1 0 234.387 3.627 10 30 BHEERO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1F ZINC000094954951 386970831 /nfs/dbraw/zinc/97/08/31/386970831.db2.gz DRYQFBORXKWABA-LBPRGKRZSA-N 1 0 248.345 3.725 10 30 BHEERO SCCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095079032 188145303 /nfs/dbraw/zinc/14/53/03/188145303.db2.gz UTOFYKGMUUXFQM-OAHLLOKOSA-N 1 0 249.423 3.751 10 30 BHEERO SCCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095079033 188318750 /nfs/dbraw/zinc/31/87/50/188318750.db2.gz UTOFYKGMUUXFQM-HNNXBMFYSA-N 1 0 249.423 3.751 10 30 BHEERO SCCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095079036 188145172 /nfs/dbraw/zinc/14/51/72/188145172.db2.gz DZTWUGYMPBJNLO-OAHLLOKOSA-N 1 0 249.423 3.609 10 30 BHEERO SCCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095079037 191053628 /nfs/dbraw/zinc/05/36/28/191053628.db2.gz DZTWUGYMPBJNLO-HNNXBMFYSA-N 1 0 249.423 3.609 10 30 BHEERO SCCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095079041 188145729 /nfs/dbraw/zinc/14/57/29/188145729.db2.gz TZVZNAGYVRDBKN-UHFFFAOYSA-N 1 0 249.423 3.609 10 30 BHEERO C#CC[N@@H+](C)[C@H](C)CCCCCCCC ZINC000095544088 166160817 /nfs/dbraw/zinc/16/08/17/166160817.db2.gz SYTFCSLHNXBWJU-CQSZACIVSA-N 1 0 209.377 3.691 10 30 BHEERO C#CC[N@@H+](C)[C@@H](C)CCCCCCCC ZINC000095544089 188320052 /nfs/dbraw/zinc/32/00/52/188320052.db2.gz SYTFCSLHNXBWJU-AWEZNQCLSA-N 1 0 209.377 3.691 10 30 BHEERO CCCCCCCCCCSCC[NH3+] ZINC000095810413 384397201 /nfs/dbraw/zinc/39/72/01/384397201.db2.gz OIWXLVBZDMAARO-UHFFFAOYSA-N 1 0 217.422 3.819 10 30 BHEERO C=C[C@@H](Cc1ccccc1)C1([NH3+])CCCCC1 ZINC000095934687 386556869 /nfs/dbraw/zinc/55/68/69/386556869.db2.gz JYBNYTIXLBIJLB-HNNXBMFYSA-N 1 0 229.367 3.693 10 30 BHEERO C=C[C@H](Cc1ccccc1)C1([NH3+])CCCCC1 ZINC000095934688 386556901 /nfs/dbraw/zinc/55/69/01/386556901.db2.gz JYBNYTIXLBIJLB-OAHLLOKOSA-N 1 0 229.367 3.693 10 30 BHEERO C=C(C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000096034163 386581109 /nfs/dbraw/zinc/58/11/09/386581109.db2.gz YRGWJEDAGZJQDT-CYBMUJFWSA-N 1 0 203.329 3.530 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000096034164 386579778 /nfs/dbraw/zinc/57/97/78/386579778.db2.gz YRGWJEDAGZJQDT-ZDUSSCGKSA-N 1 0 203.329 3.530 10 30 BHEERO C=C(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000096034165 187361846 /nfs/dbraw/zinc/36/18/46/187361846.db2.gz RGNUACTVXMUSMB-CYBMUJFWSA-N 1 0 203.329 3.530 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000096034166 386584264 /nfs/dbraw/zinc/58/42/64/386584264.db2.gz RGNUACTVXMUSMB-ZDUSSCGKSA-N 1 0 203.329 3.530 10 30 BHEERO CCCC[C@@H](C[NH2+]CCS)C1CCCC1 ZINC000096328024 344373322 /nfs/dbraw/zinc/37/33/22/344373322.db2.gz TWDNKWRABOLRMV-ZDUSSCGKSA-N 1 0 229.433 3.502 10 30 BHEERO CCCC[C@H](C[NH2+]CCS)C1CCCC1 ZINC000096328025 169003538 /nfs/dbraw/zinc/00/35/38/169003538.db2.gz TWDNKWRABOLRMV-CYBMUJFWSA-N 1 0 229.433 3.502 10 30 BHEERO CCC[C@@H](C[NH2+]CCS)C1CCCCC1 ZINC000096328030 169385236 /nfs/dbraw/zinc/38/52/36/169385236.db2.gz HXURSBQGEZOGIW-ZDUSSCGKSA-N 1 0 229.433 3.502 10 30 BHEERO CCC[C@H](C[NH2+]CCS)C1CCCCC1 ZINC000096328031 384451967 /nfs/dbraw/zinc/45/19/67/384451967.db2.gz HXURSBQGEZOGIW-CYBMUJFWSA-N 1 0 229.433 3.502 10 30 BHEERO CC[C@@H](CCC[NH2+]CCS)C1CCCCC1 ZINC000096328033 384453595 /nfs/dbraw/zinc/45/35/95/384453595.db2.gz AERFNFNAUAQSTN-ZDUSSCGKSA-N 1 0 243.460 3.893 10 30 BHEERO CC[C@H](CCC[NH2+]CCS)C1CCCCC1 ZINC000096328034 384452047 /nfs/dbraw/zinc/45/20/47/384452047.db2.gz AERFNFNAUAQSTN-CYBMUJFWSA-N 1 0 243.460 3.893 10 30 BHEERO CC[C@@H](CC[NH2+]CCS)C1CCCCC1 ZINC000096328066 384453533 /nfs/dbraw/zinc/45/35/33/384453533.db2.gz UUMGKVUKRIIPHT-LBPRGKRZSA-N 1 0 229.433 3.502 10 30 BHEERO CC[C@H](CC[NH2+]CCS)C1CCCCC1 ZINC000096328067 384453182 /nfs/dbraw/zinc/45/31/82/384453182.db2.gz UUMGKVUKRIIPHT-GFCCVEGCSA-N 1 0 229.433 3.502 10 30 BHEERO C=C(COCc1ccccc1)[NH2+]C1CCCCC1 ZINC000100202645 357929887 /nfs/dbraw/zinc/92/98/87/357929887.db2.gz NELYEGFKDYBGIV-UHFFFAOYSA-N 1 0 245.366 3.639 10 30 BHEERO CC[N+](/C=C\C(=O)c1ccc(C)cc1)(CC)CC ZINC000101462125 717144834 /nfs/dbraw/zinc/14/48/34/717144834.db2.gz SWYIQRZBRFAHMA-SEYXRHQNSA-N 1 0 246.374 3.568 10 30 BHEERO CCCCCCC[NH2+]C[C@H]1Cc2ccccc21 ZINC000102970734 188323688 /nfs/dbraw/zinc/32/36/88/188323688.db2.gz WYNLNJFJIGVGNO-OAHLLOKOSA-N 1 0 231.383 3.886 10 30 BHEERO CCCCCCCOc1cccc(CC[NH3+])c1 ZINC000103107225 168656602 /nfs/dbraw/zinc/65/66/02/168656602.db2.gz WFYKIUJOUTWRAM-UHFFFAOYSA-N 1 0 235.371 3.537 10 30 BHEERO CCCCCCCOc1cccc(C[C@@H](C)[NH3+])c1 ZINC000103111610 168657168 /nfs/dbraw/zinc/65/71/68/168657168.db2.gz UUIKPNNYYUFZMK-CQSZACIVSA-N 1 0 249.398 3.926 10 30 BHEERO CCCCCCCOc1cccc(C[C@H](C)[NH3+])c1 ZINC000103111611 168656215 /nfs/dbraw/zinc/65/62/15/168656215.db2.gz UUIKPNNYYUFZMK-AWEZNQCLSA-N 1 0 249.398 3.926 10 30 BHEERO CCCCCCCOc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000103288066 168656133 /nfs/dbraw/zinc/65/61/33/168656133.db2.gz HIXHTAUHIDGKGC-CQSZACIVSA-N 1 0 249.398 3.926 10 30 BHEERO CCCCCCCOc1ccc(C[C@H](C)[NH3+])cc1 ZINC000103288069 168656274 /nfs/dbraw/zinc/65/62/74/168656274.db2.gz HIXHTAUHIDGKGC-AWEZNQCLSA-N 1 0 249.398 3.926 10 30 BHEERO CCCCCCCCC[NH2+]Cc1ccnc(C)n1 ZINC000103367125 520026868 /nfs/dbraw/zinc/02/68/68/520026868.db2.gz UBWDWENWWDXVSW-UHFFFAOYSA-N 1 0 249.402 3.625 10 30 BHEERO CCCCCCCO[C@@H](C[NH3+])c1ccccc1 ZINC000103447380 168655468 /nfs/dbraw/zinc/65/54/68/168655468.db2.gz XRFULBWDBLSCRD-HNNXBMFYSA-N 1 0 235.371 3.673 10 30 BHEERO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000103473985 168657113 /nfs/dbraw/zinc/65/71/13/168657113.db2.gz FRHMRHJCYSUVJJ-KFWWJZLASA-N 1 0 241.419 3.893 10 30 BHEERO C=CCn1c(N)c(CCCCC)[nH+]c1C(C)(C)C ZINC000103501846 187363722 /nfs/dbraw/zinc/36/37/22/187363722.db2.gz QCOQKZQABJGZAE-UHFFFAOYSA-N 1 0 249.402 3.682 10 30 BHEERO CCCCCCCOCCCC[NH2+]CC(C)C ZINC000103595268 168655272 /nfs/dbraw/zinc/65/52/72/168655272.db2.gz LZCPRPSJIGUPNC-UHFFFAOYSA-N 1 0 243.435 3.999 10 30 BHEERO CCCCCCC[C@@H](Cc1ccccn1)[NH2+]CC ZINC000103642478 168656816 /nfs/dbraw/zinc/65/68/16/168656816.db2.gz ANYXNRQDBQPQPJ-HNNXBMFYSA-N 1 0 248.414 3.963 10 30 BHEERO CC[C@@]1(OC)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000103692959 171214944 /nfs/dbraw/zinc/21/49/44/171214944.db2.gz HFSYKOPHVPRULB-VAFHRPCXSA-N 1 0 241.334 3.745 10 30 BHEERO CCCCCCCC[NH2+]CCOCCC(C)C ZINC000103989041 168653027 /nfs/dbraw/zinc/65/30/27/168653027.db2.gz YZOFARHKKGLVMF-UHFFFAOYSA-N 1 0 243.435 3.999 10 30 BHEERO CCCCCCCO[C@H](C)C[NH2+]CCC(C)C ZINC000104002741 168657362 /nfs/dbraw/zinc/65/73/62/168657362.db2.gz STZYZJFNYSSEPE-OAHLLOKOSA-N 1 0 243.435 3.998 10 30 BHEERO CCCCCCCOCC[NH2+]CCCC(C)C ZINC000104002747 168655646 /nfs/dbraw/zinc/65/56/46/168655646.db2.gz BOBVIUVOMXJYAB-UHFFFAOYSA-N 1 0 243.435 3.999 10 30 BHEERO CCC[C@@](C)(C=O)C[N@H+](CC)CC(CC)CC ZINC000104010047 169446166 /nfs/dbraw/zinc/44/61/66/169446166.db2.gz MNBQESNXIUDMQU-OAHLLOKOSA-N 1 0 241.419 3.750 10 30 BHEERO CCCCCCCCCC[N@H+](C)CCC#N ZINC000104087547 388582186 /nfs/dbraw/zinc/58/21/86/388582186.db2.gz PKVMKVDSGHQMBR-UHFFFAOYSA-N 1 0 224.392 3.973 10 30 BHEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CCC[C@H](C)CC2)C1 ZINC000104151551 171046503 /nfs/dbraw/zinc/04/65/03/171046503.db2.gz HHWXFRIDBDXXCF-ZJIFWQFVSA-N 1 0 248.414 3.827 10 30 BHEERO C=C[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000104334360 187538148 /nfs/dbraw/zinc/53/81/48/187538148.db2.gz UCTHFRLFTYJINQ-CHWSQXEVSA-N 1 0 233.355 3.619 10 30 BHEERO C#CCC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC000104349640 166151382 /nfs/dbraw/zinc/15/13/82/166151382.db2.gz YZNHVONUVLLWLE-INIZCTEOSA-N 1 0 229.367 3.874 10 30 BHEERO C#CCC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC000104349645 166151694 /nfs/dbraw/zinc/15/16/94/166151694.db2.gz YZNHVONUVLLWLE-MRXNPFEDSA-N 1 0 229.367 3.874 10 30 BHEERO C#CCC[C@@H](Cc1cccc(Cl)c1)[NH2+]CCC ZINC000104351385 166152096 /nfs/dbraw/zinc/15/20/96/166152096.db2.gz AEIUIGNSHXTZTD-HNNXBMFYSA-N 1 0 249.785 3.664 10 30 BHEERO C#CCC[C@H](Cc1cccc(Cl)c1)[NH2+]CCC ZINC000104351389 166151449 /nfs/dbraw/zinc/15/14/49/166151449.db2.gz AEIUIGNSHXTZTD-OAHLLOKOSA-N 1 0 249.785 3.664 10 30 BHEERO C#CCC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC ZINC000104351394 166152677 /nfs/dbraw/zinc/15/26/77/166152677.db2.gz HUKMDXOYZXFAOL-HNNXBMFYSA-N 1 0 249.785 3.664 10 30 BHEERO C#CCC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC ZINC000104351400 166151787 /nfs/dbraw/zinc/15/17/87/166151787.db2.gz HUKMDXOYZXFAOL-OAHLLOKOSA-N 1 0 249.785 3.664 10 30 BHEERO C#CCC[C@H]([NH2+]CCC)c1ccc(C)c(F)c1 ZINC000104351406 166151784 /nfs/dbraw/zinc/15/17/84/166151784.db2.gz YLFQVOAKSPRRSI-HNNXBMFYSA-N 1 0 233.330 3.588 10 30 BHEERO C#CCC[C@@H]([NH2+]CCC)c1ccc(C)c(F)c1 ZINC000104351411 166152615 /nfs/dbraw/zinc/15/26/15/166152615.db2.gz YLFQVOAKSPRRSI-OAHLLOKOSA-N 1 0 233.330 3.588 10 30 BHEERO C#CCC[C@H]([NH2+]CCC)C(C)(C)c1ccccc1 ZINC000104357126 166151902 /nfs/dbraw/zinc/15/19/02/166151902.db2.gz WLUKOSJINBTENE-INIZCTEOSA-N 1 0 243.394 3.746 10 30 BHEERO C#CCC[C@@H]([NH2+]CCC)C(C)(C)c1ccccc1 ZINC000104357130 166152155 /nfs/dbraw/zinc/15/21/55/166152155.db2.gz WLUKOSJINBTENE-MRXNPFEDSA-N 1 0 243.394 3.746 10 30 BHEERO C#CCC[C@H]([NH2+]CCC)c1cc2ccccc2o1 ZINC000104360178 166152180 /nfs/dbraw/zinc/15/21/80/166152180.db2.gz ROTRNFIGIXRNCR-AWEZNQCLSA-N 1 0 241.334 3.887 10 30 BHEERO C#CCC[C@@H]([NH2+]CCC)c1cc2ccccc2o1 ZINC000104360180 166151268 /nfs/dbraw/zinc/15/12/68/166151268.db2.gz ROTRNFIGIXRNCR-CQSZACIVSA-N 1 0 241.334 3.887 10 30 BHEERO CCC(CC)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000104431764 168399354 /nfs/dbraw/zinc/39/93/54/168399354.db2.gz XHAVLHQCUZBBLC-LLVKDONJSA-N 1 0 248.345 3.612 10 30 BHEERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000104438436 168399306 /nfs/dbraw/zinc/39/93/06/168399306.db2.gz IQJFDXGLFUBPOS-LLVKDONJSA-N 1 0 248.345 3.612 10 30 BHEERO CC1(C[NH2+][C@H](CC#N)c2ccccc2)CCCC1 ZINC000104449735 168046578 /nfs/dbraw/zinc/04/65/78/168046578.db2.gz JVAZPEMZQOFZAJ-OAHLLOKOSA-N 1 0 242.366 3.811 10 30 BHEERO CCCCCCC[N@@H+]1CCc2c(N)cccc2C1 ZINC000104790535 191066167 /nfs/dbraw/zinc/06/61/67/191066167.db2.gz YHYNOBDFOAUOTO-UHFFFAOYSA-N 1 0 246.398 3.597 10 30 BHEERO C=CCC1CCC([N+](=O)Cc2ccccc2)CC1 ZINC000104837110 191066127 /nfs/dbraw/zinc/06/61/27/191066127.db2.gz VPFCUFXUIIBVIS-UHFFFAOYSA-N 1 0 243.350 3.904 10 30 BHEERO CCCCCCC[C@@H]([NH2+]C)c1ccncc1 ZINC000107553874 168656426 /nfs/dbraw/zinc/65/64/26/168656426.db2.gz UOYBVPRLWIBPTD-CQSZACIVSA-N 1 0 220.360 3.703 10 30 BHEERO CCCCCCC[C@]1(C)C[C@@H]1C[NH2+]CCOC ZINC000107888464 168658163 /nfs/dbraw/zinc/65/81/63/168658163.db2.gz LEEKYYWTSIBOAF-HUUCEWRRSA-N 1 0 241.419 3.609 10 30 BHEERO CCCCCCC[C@@]1(C)C[C@@H]1C[NH2+]CCOC ZINC000107888466 168657635 /nfs/dbraw/zinc/65/76/35/168657635.db2.gz LEEKYYWTSIBOAF-CABCVRRESA-N 1 0 241.419 3.609 10 30 BHEERO CCCCCCC[C@@]1(C)C[C@H]1C[NH2+]CCOC ZINC000107888475 168657818 /nfs/dbraw/zinc/65/78/18/168657818.db2.gz LEEKYYWTSIBOAF-GJZGRUSLSA-N 1 0 241.419 3.609 10 30 BHEERO CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000108582537 588477028 /nfs/dbraw/zinc/47/70/28/588477028.db2.gz LMCZYZGUEBGJGT-ZIAGYGMSSA-N 1 0 222.376 3.629 10 30 BHEERO CCCCCCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000108582539 588476881 /nfs/dbraw/zinc/47/68/81/588476881.db2.gz LMCZYZGUEBGJGT-KGLIPLIRSA-N 1 0 222.376 3.629 10 30 BHEERO CCCCCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000108972192 712610836 /nfs/dbraw/zinc/61/08/36/712610836.db2.gz NPEJCCWQQHOOIO-OAHLLOKOSA-N 1 0 241.419 3.584 10 30 BHEERO CCCCCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000108972194 632505117 /nfs/dbraw/zinc/50/51/17/632505117.db2.gz NPEJCCWQQHOOIO-HNNXBMFYSA-N 1 0 241.419 3.584 10 30 BHEERO CCCCCCCN(C)c1cccc(C[NH3+])c1 ZINC000109145695 188151971 /nfs/dbraw/zinc/15/19/71/188151971.db2.gz KAXMEOJOMPDWDK-UHFFFAOYSA-N 1 0 234.387 3.552 10 30 BHEERO CCCCCCCO[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000109212930 168655796 /nfs/dbraw/zinc/65/57/96/168655796.db2.gz DIBQGIZQPCHPDA-UONOGXRCSA-N 1 0 227.392 3.504 10 30 BHEERO CCCCCCCCCC[N+](C)(C)CCOC ZINC000113741463 717149579 /nfs/dbraw/zinc/14/95/79/717149579.db2.gz CWZWDBCYDGOYDJ-UHFFFAOYSA-N 1 0 244.443 3.850 10 30 BHEERO CCCCCCCCCCC[C@@](C)([NH3+])CO ZINC000115273514 343120610 /nfs/dbraw/zinc/12/06/10/343120610.db2.gz UDVQZTWZBNORSH-CQSZACIVSA-N 1 0 229.408 3.617 10 30 BHEERO CCCCCCCCCCC[C@](C)([NH3+])CO ZINC000115273516 343120823 /nfs/dbraw/zinc/12/08/23/343120823.db2.gz UDVQZTWZBNORSH-AWEZNQCLSA-N 1 0 229.408 3.617 10 30 BHEERO CCCCCCCCCC[C@@H](O)C[N+](C)(C)C ZINC000118809282 717150155 /nfs/dbraw/zinc/15/01/55/717150155.db2.gz MINQXBMDXRYZDW-OAHLLOKOSA-N 1 0 244.443 3.584 10 30 BHEERO CCCCCCCCCC[C@H](O)C[N+](C)(C)C ZINC000118809284 717149970 /nfs/dbraw/zinc/14/99/70/717149970.db2.gz MINQXBMDXRYZDW-HNNXBMFYSA-N 1 0 244.443 3.584 10 30 BHEERO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000121959144 583513131 /nfs/dbraw/zinc/51/31/31/583513131.db2.gz YZELHJCTDLFMEV-GARJFASQSA-N 1 0 235.293 3.662 10 30 BHEERO C=C(C)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124649165 371213033 /nfs/dbraw/zinc/21/30/33/371213033.db2.gz WWVNCLRMFWIVCZ-ZDUSSCGKSA-N 1 0 219.328 3.691 10 30 BHEERO C=C(C)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124649380 371212936 /nfs/dbraw/zinc/21/29/36/371212936.db2.gz WWVNCLRMFWIVCZ-CYBMUJFWSA-N 1 0 219.328 3.691 10 30 BHEERO C=CCCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000124677952 343567670 /nfs/dbraw/zinc/56/76/70/343567670.db2.gz GJRXXYARGBOVEX-MNOVXSKESA-N 1 0 235.293 3.663 10 30 BHEERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCCC#N)o1 ZINC000124680939 345048385 /nfs/dbraw/zinc/04/83/85/345048385.db2.gz AIQBKCFFTCYEBD-AWEZNQCLSA-N 1 0 246.354 3.809 10 30 BHEERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCCC#N)o1 ZINC000124681109 345048451 /nfs/dbraw/zinc/04/84/51/345048451.db2.gz AIQBKCFFTCYEBD-CQSZACIVSA-N 1 0 246.354 3.809 10 30 BHEERO CC1(C)CC([NH2+][C@@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000124800495 324625223 /nfs/dbraw/zinc/62/52/23/324625223.db2.gz VOPNCYPGIXBEIT-TZMCWYRMSA-N 1 0 248.414 3.873 10 30 BHEERO CC1(C)CC([NH2+][C@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000124800723 388665532 /nfs/dbraw/zinc/66/55/32/388665532.db2.gz VOPNCYPGIXBEIT-OCCSQVGLSA-N 1 0 248.414 3.873 10 30 BHEERO CC1(C)CC([NH2+][C@@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000124801016 324624967 /nfs/dbraw/zinc/62/49/67/324624967.db2.gz VOPNCYPGIXBEIT-GXTWGEPZSA-N 1 0 248.414 3.873 10 30 BHEERO CC1(C)CC([NH2+][C@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000124801226 388665835 /nfs/dbraw/zinc/66/58/35/388665835.db2.gz VOPNCYPGIXBEIT-JSGCOSHPSA-N 1 0 248.414 3.873 10 30 BHEERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCC#N)o1 ZINC000124891879 345056866 /nfs/dbraw/zinc/05/68/66/345056866.db2.gz SIXAIBLRXKJOAM-AWEZNQCLSA-N 1 0 246.354 3.673 10 30 BHEERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCC#N)o1 ZINC000124892088 345056685 /nfs/dbraw/zinc/05/66/85/345056685.db2.gz SIXAIBLRXKJOAM-CQSZACIVSA-N 1 0 246.354 3.673 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000126680541 344183026 /nfs/dbraw/zinc/18/30/26/344183026.db2.gz ZPYOUQSVUDTMAE-CMPLNLGQSA-N 1 0 207.317 3.593 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000126680755 344182810 /nfs/dbraw/zinc/18/28/10/344182810.db2.gz ZPYOUQSVUDTMAE-JQWIXIFHSA-N 1 0 207.317 3.593 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000126680977 344183033 /nfs/dbraw/zinc/18/30/33/344183033.db2.gz ZPYOUQSVUDTMAE-ZYHUDNBSSA-N 1 0 207.317 3.593 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000126681206 344183053 /nfs/dbraw/zinc/18/30/53/344183053.db2.gz ZPYOUQSVUDTMAE-PWSUYJOCSA-N 1 0 207.317 3.593 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000126738795 324712788 /nfs/dbraw/zinc/71/27/88/324712788.db2.gz LYOICEJRGACJKY-WFASDCNBSA-N 1 0 215.340 3.618 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000126739027 324712793 /nfs/dbraw/zinc/71/27/93/324712793.db2.gz LYOICEJRGACJKY-DOMZBBRYSA-N 1 0 215.340 3.618 10 30 BHEERO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000126893705 388707695 /nfs/dbraw/zinc/70/76/95/388707695.db2.gz KWMYRTPMSZQATL-AGIUHOORSA-N 1 0 209.377 3.755 10 30 BHEERO C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000126893937 324731463 /nfs/dbraw/zinc/73/14/63/324731463.db2.gz KWMYRTPMSZQATL-AVGNSLFASA-N 1 0 209.377 3.755 10 30 BHEERO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000126894191 388708415 /nfs/dbraw/zinc/70/84/15/388708415.db2.gz KWMYRTPMSZQATL-FRRDWIJNSA-N 1 0 209.377 3.755 10 30 BHEERO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000126894391 324730925 /nfs/dbraw/zinc/73/09/25/324730925.db2.gz KWMYRTPMSZQATL-RWMBFGLXSA-N 1 0 209.377 3.755 10 30 BHEERO C[C@@H]([NH2+]Cc1cccs1)c1ccc(C#N)s1 ZINC000127403248 175902241 /nfs/dbraw/zinc/90/22/41/175902241.db2.gz VODQAQRAKOWPQU-SECBINFHSA-N 1 0 248.376 3.532 10 30 BHEERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127411677 171367124 /nfs/dbraw/zinc/36/71/24/171367124.db2.gz MVPDQMWTNYQGGF-AXFHLTTASA-N 1 0 236.384 3.705 10 30 BHEERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127412153 171390412 /nfs/dbraw/zinc/39/04/12/171390412.db2.gz MVPDQMWTNYQGGF-DCAQKATOSA-N 1 0 236.384 3.705 10 30 BHEERO C=C(C)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000128506944 324846932 /nfs/dbraw/zinc/84/69/32/324846932.db2.gz RLPJMXFAXPFPCO-CQSZACIVSA-N 1 0 247.382 3.948 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000128507174 388766432 /nfs/dbraw/zinc/76/64/32/388766432.db2.gz RLPJMXFAXPFPCO-AWEZNQCLSA-N 1 0 247.382 3.948 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000128921528 350893787 /nfs/dbraw/zinc/89/37/87/350893787.db2.gz PKKFBMDXLQCYNE-NSHDSACASA-N 1 0 229.245 3.671 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000128921782 350894182 /nfs/dbraw/zinc/89/41/82/350894182.db2.gz PKKFBMDXLQCYNE-LLVKDONJSA-N 1 0 229.245 3.671 10 30 BHEERO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000128954985 591194430 /nfs/dbraw/zinc/19/44/30/591194430.db2.gz BXDWSGVQGNFADC-KOLCDFICSA-N 1 0 215.768 3.543 10 30 BHEERO C=C(Cl)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000128955184 591194578 /nfs/dbraw/zinc/19/45/78/591194578.db2.gz BXDWSGVQGNFADC-ONGXEEELSA-N 1 0 215.768 3.543 10 30 BHEERO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000128955408 591194019 /nfs/dbraw/zinc/19/40/19/591194019.db2.gz BXDWSGVQGNFADC-MWLCHTKSSA-N 1 0 215.768 3.543 10 30 BHEERO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000128955602 591193832 /nfs/dbraw/zinc/19/38/32/591193832.db2.gz BXDWSGVQGNFADC-GXSJLCMTSA-N 1 0 215.768 3.543 10 30 BHEERO C=CCC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000128956936 350918949 /nfs/dbraw/zinc/91/89/49/350918949.db2.gz ZUPARYBMAOXRLR-JTQLQIEISA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000128957210 350918753 /nfs/dbraw/zinc/91/87/53/350918753.db2.gz ZUPARYBMAOXRLR-SNVBAGLBSA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@H]([NH3+])c1csc2ccccc12 ZINC000128967199 350933863 /nfs/dbraw/zinc/93/38/63/350933863.db2.gz GHQYRCTYQOILKD-LBPRGKRZSA-N 1 0 217.337 3.867 10 30 BHEERO C=CCC[C@@H]([NH3+])c1csc2ccccc12 ZINC000128967423 350933779 /nfs/dbraw/zinc/93/37/79/350933779.db2.gz GHQYRCTYQOILKD-GFCCVEGCSA-N 1 0 217.337 3.867 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000128967664 350933480 /nfs/dbraw/zinc/93/34/80/350933480.db2.gz HAAVUDVUUUMDKK-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000128967843 384971507 /nfs/dbraw/zinc/97/15/07/384971507.db2.gz HAAVUDVUUUMDKK-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000128996779 350962645 /nfs/dbraw/zinc/96/26/45/350962645.db2.gz BKNPIWYTESYYHX-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000128997006 350962385 /nfs/dbraw/zinc/96/23/85/350962385.db2.gz BKNPIWYTESYYHX-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(Cl)c(C)c1 ZINC000129032879 350965936 /nfs/dbraw/zinc/96/59/36/350965936.db2.gz BOIOBCUIJZJXIS-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(Cl)c(C)c1 ZINC000129033080 350969733 /nfs/dbraw/zinc/96/97/33/350969733.db2.gz BOIOBCUIJZJXIS-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO C=CCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000129044237 350964735 /nfs/dbraw/zinc/96/47/35/350964735.db2.gz VGFHKRXZQVVTHP-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000129044457 350964870 /nfs/dbraw/zinc/96/48/70/350964870.db2.gz VGFHKRXZQVVTHP-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000129048295 350963446 /nfs/dbraw/zinc/96/34/46/350963446.db2.gz NNKQWIQHYSYPSF-CYBMUJFWSA-N 1 0 203.329 3.578 10 30 BHEERO C=CCC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000129048508 350963416 /nfs/dbraw/zinc/96/34/16/350963416.db2.gz NNKQWIQHYSYPSF-ZDUSSCGKSA-N 1 0 203.329 3.578 10 30 BHEERO C=CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000129075778 350981563 /nfs/dbraw/zinc/98/15/63/350981563.db2.gz QXMJYMVQBOGACP-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000129076032 350981584 /nfs/dbraw/zinc/98/15/84/350981584.db2.gz QXMJYMVQBOGACP-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000129107960 353307696 /nfs/dbraw/zinc/30/76/96/353307696.db2.gz XKZRUWYOHOHDNW-CQSZACIVSA-N 1 0 217.356 3.950 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000129108146 353306833 /nfs/dbraw/zinc/30/68/33/353306833.db2.gz XKZRUWYOHOHDNW-AWEZNQCLSA-N 1 0 217.356 3.950 10 30 BHEERO C=CCC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000129127288 344210368 /nfs/dbraw/zinc/21/03/68/344210368.db2.gz VHEOYGWXEZTPEL-JTQLQIEISA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000129127518 350995017 /nfs/dbraw/zinc/99/50/17/350995017.db2.gz VHEOYGWXEZTPEL-SNVBAGLBSA-N 1 0 230.138 3.959 10 30 BHEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129382990 324943799 /nfs/dbraw/zinc/94/37/99/324943799.db2.gz DQCDZNAJNKNMLR-UKRRQHHQSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129383189 388837055 /nfs/dbraw/zinc/83/70/55/388837055.db2.gz DQCDZNAJNKNMLR-HIFRSBDPSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129383407 388836643 /nfs/dbraw/zinc/83/66/43/388836643.db2.gz DQCDZNAJNKNMLR-DZGCQCFKSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129383638 388836687 /nfs/dbraw/zinc/83/66/87/388836687.db2.gz DQCDZNAJNKNMLR-ZFWWWQNUSA-N 1 0 246.398 3.771 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000130775553 368276953 /nfs/dbraw/zinc/27/69/53/368276953.db2.gz VWTAUMWPXYLQQZ-NSHDSACASA-N 1 0 229.245 3.671 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000130775800 368288961 /nfs/dbraw/zinc/28/89/61/368288961.db2.gz VWTAUMWPXYLQQZ-LLVKDONJSA-N 1 0 229.245 3.671 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000130810705 369088421 /nfs/dbraw/zinc/08/84/21/369088421.db2.gz SRNQUCFGCJIMQR-JTQLQIEISA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000130810895 369088723 /nfs/dbraw/zinc/08/87/23/369088723.db2.gz SRNQUCFGCJIMQR-SNVBAGLBSA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1csc2ccccc21 ZINC000130820607 369091202 /nfs/dbraw/zinc/09/12/02/369091202.db2.gz YXTPWXYQQFXXST-LBPRGKRZSA-N 1 0 217.337 3.867 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1csc2ccccc21 ZINC000130820788 369091490 /nfs/dbraw/zinc/09/14/90/369091490.db2.gz YXTPWXYQQFXXST-GFCCVEGCSA-N 1 0 217.337 3.867 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000130821048 353366617 /nfs/dbraw/zinc/36/66/17/353366617.db2.gz TVEQEHXMJRBENX-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000130821277 369091688 /nfs/dbraw/zinc/09/16/88/369091688.db2.gz TVEQEHXMJRBENX-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000130849060 369118941 /nfs/dbraw/zinc/11/89/41/369118941.db2.gz NKVJDAOWWJJDNB-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000130849247 369118251 /nfs/dbraw/zinc/11/82/51/369118251.db2.gz NKVJDAOWWJJDNB-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)c(C)c1 ZINC000130885056 369605924 /nfs/dbraw/zinc/60/59/24/369605924.db2.gz WQSRAPFMFLGUJS-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(Cl)c(C)c1 ZINC000130885283 369617728 /nfs/dbraw/zinc/61/77/28/369617728.db2.gz WQSRAPFMFLGUJS-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cccc(C)c1Cl ZINC000130890937 369621451 /nfs/dbraw/zinc/62/14/51/369621451.db2.gz YXCQFTUVUHLQIQ-LLVKDONJSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cccc(C)c1Cl ZINC000130891178 369622525 /nfs/dbraw/zinc/62/25/25/369622525.db2.gz YXCQFTUVUHLQIQ-NSHDSACASA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000130893608 370072566 /nfs/dbraw/zinc/07/25/66/370072566.db2.gz MDQOKTRRHGAMAM-NSHDSACASA-N 1 0 229.245 3.671 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000130893837 370072309 /nfs/dbraw/zinc/07/23/09/370072309.db2.gz MDQOKTRRHGAMAM-LLVKDONJSA-N 1 0 229.245 3.671 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000130900846 370074843 /nfs/dbraw/zinc/07/48/43/370074843.db2.gz NJMCXKSWNCCVTJ-CYBMUJFWSA-N 1 0 203.329 3.578 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000130901069 370074805 /nfs/dbraw/zinc/07/48/05/370074805.db2.gz NJMCXKSWNCCVTJ-ZDUSSCGKSA-N 1 0 203.329 3.578 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000130927377 370383294 /nfs/dbraw/zinc/38/32/94/370383294.db2.gz RTJUHTDUXAOJCR-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000130927583 370383453 /nfs/dbraw/zinc/38/34/53/370383453.db2.gz RTJUHTDUXAOJCR-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=C(Cl)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000130934825 591537426 /nfs/dbraw/zinc/53/74/26/591537426.db2.gz JHOYIFDQUTYASY-LBPRGKRZSA-N 1 0 249.785 3.969 10 30 BHEERO C=C(Cl)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000130935062 591536897 /nfs/dbraw/zinc/53/68/97/591536897.db2.gz JHOYIFDQUTYASY-GFCCVEGCSA-N 1 0 249.785 3.969 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000130958181 370478726 /nfs/dbraw/zinc/47/87/26/370478726.db2.gz CHCZWARUEXYEHC-AWEZNQCLSA-N 1 0 217.356 3.950 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000130958373 370478680 /nfs/dbraw/zinc/47/86/80/370478680.db2.gz CHCZWARUEXYEHC-CQSZACIVSA-N 1 0 217.356 3.950 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000130977272 370566855 /nfs/dbraw/zinc/56/68/55/370566855.db2.gz MHXCPVUVPDEUEA-JTQLQIEISA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000130977464 370567088 /nfs/dbraw/zinc/56/70/88/370567088.db2.gz MHXCPVUVPDEUEA-SNVBAGLBSA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C)[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000131272543 371579538 /nfs/dbraw/zinc/57/95/38/371579538.db2.gz WIAQTYQDRVCSRI-JTQLQIEISA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000131272749 353366207 /nfs/dbraw/zinc/36/62/07/353366207.db2.gz WIAQTYQDRVCSRI-SNVBAGLBSA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000131374560 371595412 /nfs/dbraw/zinc/59/54/12/371595412.db2.gz MYJBDBAVFIEMNE-JTQLQIEISA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000131374764 371596096 /nfs/dbraw/zinc/59/60/96/371596096.db2.gz MYJBDBAVFIEMNE-SNVBAGLBSA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000131414528 371603116 /nfs/dbraw/zinc/60/31/16/371603116.db2.gz GCOCCEXAIBEQSW-JTQLQIEISA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000131414739 371602919 /nfs/dbraw/zinc/60/29/19/371602919.db2.gz GCOCCEXAIBEQSW-SNVBAGLBSA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000131475419 371610165 /nfs/dbraw/zinc/61/01/65/371610165.db2.gz OJNPPGYLGMKFQN-JTQLQIEISA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000131475616 371609933 /nfs/dbraw/zinc/60/99/33/371609933.db2.gz OJNPPGYLGMKFQN-SNVBAGLBSA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cc2sccc2s1 ZINC000131485079 371610754 /nfs/dbraw/zinc/61/07/54/371610754.db2.gz FLHLQXNKAIDIMM-JTQLQIEISA-N 1 0 209.339 3.539 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cc2sccc2s1 ZINC000131485297 371610629 /nfs/dbraw/zinc/61/06/29/371610629.db2.gz FLHLQXNKAIDIMM-SNVBAGLBSA-N 1 0 209.339 3.539 10 30 BHEERO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)C(C)C ZINC000132448306 171545528 /nfs/dbraw/zinc/54/55/28/171545528.db2.gz CXDJUADQKSXNAK-PWSUYJOCSA-N 1 0 236.384 3.705 10 30 BHEERO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000132466383 191102805 /nfs/dbraw/zinc/10/28/05/191102805.db2.gz CUJLARJKSLUOGX-WDEREUQCSA-N 1 0 236.384 3.705 10 30 BHEERO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000132851364 169379069 /nfs/dbraw/zinc/37/90/69/169379069.db2.gz UBHYDXFTKRHNPC-WDEREUQCSA-N 1 0 236.384 3.849 10 30 BHEERO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000132851759 169380067 /nfs/dbraw/zinc/38/00/67/169380067.db2.gz UBHYDXFTKRHNPC-GHMZBOCLSA-N 1 0 236.384 3.849 10 30 BHEERO C=C(C)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133109478 353396457 /nfs/dbraw/zinc/39/64/57/353396457.db2.gz LDVBOPWUYZXOAL-JTQLQIEISA-N 1 0 216.111 3.569 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133109690 371990222 /nfs/dbraw/zinc/99/02/22/371990222.db2.gz LDVBOPWUYZXOAL-SNVBAGLBSA-N 1 0 216.111 3.569 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133144944 371995373 /nfs/dbraw/zinc/99/53/73/371995373.db2.gz GYWXWUVQHJPJCE-NSHDSACASA-N 1 0 230.138 3.959 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133145135 344314140 /nfs/dbraw/zinc/31/41/40/344314140.db2.gz GYWXWUVQHJPJCE-LLVKDONJSA-N 1 0 230.138 3.959 10 30 BHEERO C=C(C[NH2+]CCc1ccccc1)c1ccccc1 ZINC000134356541 591921420 /nfs/dbraw/zinc/92/14/20/591921420.db2.gz YDXLISQHPUQSFR-UHFFFAOYSA-N 1 0 237.346 3.532 10 30 BHEERO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134528508 591934148 /nfs/dbraw/zinc/93/41/48/591934148.db2.gz ASVDXDBVFZZBTB-MGPQQGTHSA-N 1 0 227.392 3.502 10 30 BHEERO CCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134528531 591934025 /nfs/dbraw/zinc/93/40/25/591934025.db2.gz ASVDXDBVFZZBTB-BFHYXJOUSA-N 1 0 227.392 3.502 10 30 BHEERO CCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000134528570 591934454 /nfs/dbraw/zinc/93/44/54/591934454.db2.gz ASVDXDBVFZZBTB-MJBXVCDLSA-N 1 0 227.392 3.502 10 30 BHEERO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134653964 584910368 /nfs/dbraw/zinc/91/03/68/584910368.db2.gz GEIYXRDHIMWLPK-NSHDSACASA-N 1 0 223.747 3.703 10 30 BHEERO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134653989 584910211 /nfs/dbraw/zinc/91/02/11/584910211.db2.gz GEIYXRDHIMWLPK-LLVKDONJSA-N 1 0 223.747 3.703 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000135707880 388506543 /nfs/dbraw/zinc/50/65/43/388506543.db2.gz XKGCEJKHOPOXEK-STQMWFEESA-N 1 0 233.355 3.701 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000135707923 388506287 /nfs/dbraw/zinc/50/62/87/388506287.db2.gz XKGCEJKHOPOXEK-OLZOCXBDSA-N 1 0 233.355 3.701 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000135707968 325423592 /nfs/dbraw/zinc/42/35/92/325423592.db2.gz XKGCEJKHOPOXEK-QWHCGFSZSA-N 1 0 233.355 3.701 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000135708001 325423597 /nfs/dbraw/zinc/42/35/97/325423597.db2.gz XKGCEJKHOPOXEK-CHWSQXEVSA-N 1 0 233.355 3.701 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000135709038 325423579 /nfs/dbraw/zinc/42/35/79/325423579.db2.gz ZUYNHLUMHMVERL-QWRGUYRKSA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000135709071 388506690 /nfs/dbraw/zinc/50/66/90/388506690.db2.gz ZUYNHLUMHMVERL-MNOVXSKESA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000135709104 325423459 /nfs/dbraw/zinc/42/34/59/325423459.db2.gz ZUYNHLUMHMVERL-WDEREUQCSA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000135709140 325423631 /nfs/dbraw/zinc/42/36/31/325423631.db2.gz ZUYNHLUMHMVERL-GHMZBOCLSA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000135715865 538116538 /nfs/dbraw/zinc/11/65/38/538116538.db2.gz BIPGECFRDYOEHR-QWRGUYRKSA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000135715897 583587891 /nfs/dbraw/zinc/58/78/91/583587891.db2.gz BIPGECFRDYOEHR-MNOVXSKESA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000135715928 538116532 /nfs/dbraw/zinc/11/65/32/538116532.db2.gz BIPGECFRDYOEHR-WDEREUQCSA-N 1 0 239.309 3.970 10 30 BHEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000135715949 538116472 /nfs/dbraw/zinc/11/64/72/538116472.db2.gz BIPGECFRDYOEHR-GHMZBOCLSA-N 1 0 239.309 3.970 10 30 BHEERO C[C@H](C#N)CC1=C([NH+]2CCCC2)CCCCC1 ZINC000137411115 345845775 /nfs/dbraw/zinc/84/57/75/345845775.db2.gz UZOILUZYHROJKO-ZDUSSCGKSA-N 1 0 232.371 3.850 10 30 BHEERO C[C@@H](C#N)CC1=C([NH+]2CCCC2)CCCCC1 ZINC000137411189 345845669 /nfs/dbraw/zinc/84/56/69/345845669.db2.gz UZOILUZYHROJKO-CYBMUJFWSA-N 1 0 232.371 3.850 10 30 BHEERO C(=[NH+]/CCc1c[nH]c2ccccc12)\c1ccccc1 ZINC000140464403 368412672 /nfs/dbraw/zinc/41/26/72/368412672.db2.gz VMEZJYDXUAPIOF-LDADJPATSA-N 1 0 248.329 3.830 10 30 BHEERO CC(C)(C#N)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000145322319 342760832 /nfs/dbraw/zinc/76/08/32/342760832.db2.gz PIAYWADLGLRWOM-UHFFFAOYSA-N 1 0 242.366 3.606 10 30 BHEERO C=C(C)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000145602987 342761229 /nfs/dbraw/zinc/76/12/29/342761229.db2.gz MJAUSXDNSKNZJO-UHFFFAOYSA-N 1 0 215.340 3.838 10 30 BHEERO CC[C@H](C)[N@@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000147540795 342777398 /nfs/dbraw/zinc/77/73/98/342777398.db2.gz TYYIXERJKMDZBL-BBRMVZONSA-N 1 0 242.366 3.536 10 30 BHEERO CCC[NH+](CCC)[C@@H]1CC[C@@H]2CCC(=O)C=C2C1 ZINC000148350160 346034661 /nfs/dbraw/zinc/03/46/61/346034661.db2.gz YXFJYFPPJUQSJF-UKRRQHHQSA-N 1 0 249.398 3.566 10 30 BHEERO CCC[NH+](CCC)[C@H]1CC[C@@H]2CCC(=O)C=C2C1 ZINC000148350371 346034695 /nfs/dbraw/zinc/03/46/95/346034695.db2.gz YXFJYFPPJUQSJF-HIFRSBDPSA-N 1 0 249.398 3.566 10 30 BHEERO CCC[NH+](CCC)[C@@H]1CC[C@H]2CCC(=O)C=C2C1 ZINC000148350566 346035515 /nfs/dbraw/zinc/03/55/15/346035515.db2.gz YXFJYFPPJUQSJF-DZGCQCFKSA-N 1 0 249.398 3.566 10 30 BHEERO CCC[NH+](CCC)[C@H]1CC[C@H]2CCC(=O)C=C2C1 ZINC000148350790 346035548 /nfs/dbraw/zinc/03/55/48/346035548.db2.gz YXFJYFPPJUQSJF-ZFWWWQNUSA-N 1 0 249.398 3.566 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000148509806 346258850 /nfs/dbraw/zinc/25/88/50/346258850.db2.gz IUKYXPOLYBQRAR-OFQRWUPVSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000148510013 346258885 /nfs/dbraw/zinc/25/88/85/346258885.db2.gz IUKYXPOLYBQRAR-DZKIICNBSA-N 1 0 242.366 3.728 10 30 BHEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCCCC1 ZINC000149449439 347103918 /nfs/dbraw/zinc/10/39/18/347103918.db2.gz IHZACEKHGMDROE-AEGPPILISA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCCCC1 ZINC000149449626 347103904 /nfs/dbraw/zinc/10/39/04/347103904.db2.gz IHZACEKHGMDROE-QEJZJMRPSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000149788150 347518404 /nfs/dbraw/zinc/51/84/04/347518404.db2.gz PGVSPDFILJVBDL-HZSPNIEDSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000149788499 397912268 /nfs/dbraw/zinc/91/22/68/397912268.db2.gz PGVSPDFILJVBDL-RDBSUJKOSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCCCC1 ZINC000150203336 383938299 /nfs/dbraw/zinc/93/82/99/383938299.db2.gz OBAJNJXAAXZPCA-NWANDNLSSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCCC1 ZINC000150203538 383937319 /nfs/dbraw/zinc/93/73/19/383937319.db2.gz OBAJNJXAAXZPCA-CFVMTHIKSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCCCCC1 ZINC000150203740 383941068 /nfs/dbraw/zinc/94/10/68/383941068.db2.gz OBAJNJXAAXZPCA-AEGPPILISA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCCCCC1 ZINC000150203929 383940792 /nfs/dbraw/zinc/94/07/92/383940792.db2.gz OBAJNJXAAXZPCA-QEJZJMRPSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@@H]1CC(CC[NH+]2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000150849488 323000394 /nfs/dbraw/zinc/00/03/94/323000394.db2.gz UZEIHDLMTGYASU-KBPBESRZSA-N 1 0 248.414 3.684 10 30 BHEERO C[C@H]1CC(CC[NH+]2CCC(C#N)CC2)C[C@H](C)C1 ZINC000150849510 323000432 /nfs/dbraw/zinc/00/04/32/323000432.db2.gz UZEIHDLMTGYASU-ZIAGYGMSSA-N 1 0 248.414 3.684 10 30 BHEERO CC#CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000155778816 326211386 /nfs/dbraw/zinc/21/13/86/326211386.db2.gz OUMUYRNPXIVDHN-CQSZACIVSA-N 1 0 231.339 3.528 10 30 BHEERO CC#CCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000155778952 326211544 /nfs/dbraw/zinc/21/15/44/326211544.db2.gz OUMUYRNPXIVDHN-AWEZNQCLSA-N 1 0 231.339 3.528 10 30 BHEERO CCCCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000157737586 640731075 /nfs/dbraw/zinc/73/10/75/640731075.db2.gz PZGUCGKGOXJLKX-UHFFFAOYSA-N 1 0 249.402 3.560 10 30 BHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158121728 397943184 /nfs/dbraw/zinc/94/31/84/397943184.db2.gz GPFATCPGNJNJEG-WCFLWFBJSA-N 1 0 221.344 3.839 10 30 BHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000158121861 201625014 /nfs/dbraw/zinc/62/50/14/201625014.db2.gz GPFATCPGNJNJEG-DRZSPHRISA-N 1 0 221.344 3.839 10 30 BHEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158121968 397942816 /nfs/dbraw/zinc/94/28/16/397942816.db2.gz GPFATCPGNJNJEG-CYZMBNFOSA-N 1 0 221.344 3.839 10 30 BHEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000158122108 397943010 /nfs/dbraw/zinc/94/30/10/397943010.db2.gz GPFATCPGNJNJEG-UHTWSYAYSA-N 1 0 221.344 3.839 10 30 BHEERO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000158163082 387934046 /nfs/dbraw/zinc/93/40/46/387934046.db2.gz SKSBSGKDCIYSKI-STQMWFEESA-N 1 0 221.344 3.983 10 30 BHEERO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000158163229 201637205 /nfs/dbraw/zinc/63/72/05/201637205.db2.gz SKSBSGKDCIYSKI-QWHCGFSZSA-N 1 0 221.344 3.983 10 30 BHEERO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158163378 201637128 /nfs/dbraw/zinc/63/71/28/201637128.db2.gz SKSBSGKDCIYSKI-OLZOCXBDSA-N 1 0 221.344 3.983 10 30 BHEERO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158163523 201637789 /nfs/dbraw/zinc/63/77/89/201637789.db2.gz SKSBSGKDCIYSKI-CHWSQXEVSA-N 1 0 221.344 3.983 10 30 BHEERO C[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159864314 351015029 /nfs/dbraw/zinc/01/50/29/351015029.db2.gz IFAOMWUSAAFWRC-WHOFXGATSA-N 1 0 246.329 3.559 10 30 BHEERO C=C(C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000160207329 388052937 /nfs/dbraw/zinc/05/29/37/388052937.db2.gz BTJKFMQXEBSYQH-VIFPVBQESA-N 1 0 227.710 3.706 10 30 BHEERO C=C(C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000160207447 388053374 /nfs/dbraw/zinc/05/33/74/388053374.db2.gz BTJKFMQXEBSYQH-SECBINFHSA-N 1 0 227.710 3.706 10 30 BHEERO Cc1cccc([C@@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000160233100 346358010 /nfs/dbraw/zinc/35/80/10/346358010.db2.gz ZSXPAHSJMIYJKN-CYBMUJFWSA-N 1 0 230.355 3.586 10 30 BHEERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000160245582 398300772 /nfs/dbraw/zinc/30/07/72/398300772.db2.gz KSLOUQXMHTXWPZ-NUEKZKHPSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000160245702 355621456 /nfs/dbraw/zinc/62/14/56/355621456.db2.gz KSLOUQXMHTXWPZ-IMJJTQAJSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000160245815 355646108 /nfs/dbraw/zinc/64/61/08/355646108.db2.gz KSLOUQXMHTXWPZ-CWRNSKLLSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000160245934 355646862 /nfs/dbraw/zinc/64/68/62/355646862.db2.gz KSLOUQXMHTXWPZ-BPUTZDHNSA-N 1 0 242.366 3.728 10 30 BHEERO CC#CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000160557515 388074336 /nfs/dbraw/zinc/07/43/36/388074336.db2.gz YHHOBLFMWCHXTB-VIFPVBQESA-N 1 0 242.149 3.667 10 30 BHEERO CC#CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000160557635 388074409 /nfs/dbraw/zinc/07/44/09/388074409.db2.gz YHHOBLFMWCHXTB-SECBINFHSA-N 1 0 242.149 3.667 10 30 BHEERO CC#CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000161092185 385187927 /nfs/dbraw/zinc/18/79/27/385187927.db2.gz JVSSXYZXWMXCFW-ZDUSSCGKSA-N 1 0 223.319 3.514 10 30 BHEERO CC#CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000161092311 385186746 /nfs/dbraw/zinc/18/67/46/385186746.db2.gz JVSSXYZXWMXCFW-CYBMUJFWSA-N 1 0 223.319 3.514 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000163957118 352555062 /nfs/dbraw/zinc/55/50/62/352555062.db2.gz XJPJSPOEKRZEOU-NSHDSACASA-N 1 0 247.235 3.811 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000163957209 352554567 /nfs/dbraw/zinc/55/45/67/352554567.db2.gz XJPJSPOEKRZEOU-LLVKDONJSA-N 1 0 247.235 3.811 10 30 BHEERO C=CCC[C@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000164001484 345782097 /nfs/dbraw/zinc/78/20/97/345782097.db2.gz ZVTIJCVQIHHSLC-NSHDSACASA-N 1 0 247.235 3.811 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000164001600 345782026 /nfs/dbraw/zinc/78/20/26/345782026.db2.gz ZVTIJCVQIHHSLC-LLVKDONJSA-N 1 0 247.235 3.811 10 30 BHEERO C#CCCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000165938612 640598842 /nfs/dbraw/zinc/59/88/42/640598842.db2.gz SUIRJKLDVOEOFP-KGLIPLIRSA-N 1 0 221.388 3.594 10 30 BHEERO C#CCCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000165938738 640599644 /nfs/dbraw/zinc/59/96/44/640599644.db2.gz SUIRJKLDVOEOFP-KBPBESRZSA-N 1 0 221.388 3.594 10 30 BHEERO C#CCCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000165938867 640598652 /nfs/dbraw/zinc/59/86/52/640598652.db2.gz SUIRJKLDVOEOFP-ZIAGYGMSSA-N 1 0 221.388 3.594 10 30 BHEERO C#CCCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000165939000 640598062 /nfs/dbraw/zinc/59/80/62/640598062.db2.gz SUIRJKLDVOEOFP-UONOGXRCSA-N 1 0 221.388 3.594 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000167785987 347086911 /nfs/dbraw/zinc/08/69/11/347086911.db2.gz JKWWBWCJZZOITE-NSHDSACASA-N 1 0 247.235 3.811 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000167786090 347086902 /nfs/dbraw/zinc/08/69/02/347086902.db2.gz JKWWBWCJZZOITE-LLVKDONJSA-N 1 0 247.235 3.811 10 30 BHEERO C=CCC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000167792838 347167467 /nfs/dbraw/zinc/16/74/67/347167467.db2.gz FSLJTLWIDNHHFS-NSHDSACASA-N 1 0 245.244 3.551 10 30 BHEERO C=CCC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000167792945 347167795 /nfs/dbraw/zinc/16/77/95/347167795.db2.gz FSLJTLWIDNHHFS-LLVKDONJSA-N 1 0 245.244 3.551 10 30 BHEERO C=CC[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168451675 187380316 /nfs/dbraw/zinc/38/03/16/187380316.db2.gz YCJHOPIHNKHGRV-CJNGLKHVSA-N 1 0 241.334 3.923 10 30 BHEERO C=CC[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000168451775 188241197 /nfs/dbraw/zinc/24/11/97/188241197.db2.gz YCJHOPIHNKHGRV-XJKSGUPXSA-N 1 0 241.334 3.923 10 30 BHEERO C=CC[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000168451873 187216097 /nfs/dbraw/zinc/21/60/97/187216097.db2.gz YCJHOPIHNKHGRV-CZUORRHYSA-N 1 0 241.334 3.923 10 30 BHEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000174865930 534981675 /nfs/dbraw/zinc/98/16/75/534981675.db2.gz XGPLHJSZMSLKMV-CYBMUJFWSA-N 1 0 246.354 3.746 10 30 BHEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000174865941 534982309 /nfs/dbraw/zinc/98/23/09/534982309.db2.gz XGPLHJSZMSLKMV-ZDUSSCGKSA-N 1 0 246.354 3.746 10 30 BHEERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000178650238 528705302 /nfs/dbraw/zinc/70/53/02/528705302.db2.gz MAMVGOUCOKJLOM-QLFBSQMISA-N 1 0 236.403 3.731 10 30 BHEERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCC#N ZINC000183131078 366978627 /nfs/dbraw/zinc/97/86/27/366978627.db2.gz RRMHJPVKTHQNPX-HNNXBMFYSA-N 1 0 242.366 3.593 10 30 BHEERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCC#N ZINC000183131100 366978317 /nfs/dbraw/zinc/97/83/17/366978317.db2.gz RRMHJPVKTHQNPX-OAHLLOKOSA-N 1 0 242.366 3.593 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185756669 347213057 /nfs/dbraw/zinc/21/30/57/347213057.db2.gz IBOBNKCFVJVMET-SOUVJXGZSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185756707 347213470 /nfs/dbraw/zinc/21/34/70/347213470.db2.gz IBOBNKCFVJVMET-KKUMJFAQSA-N 1 0 242.366 3.728 10 30 BHEERO CCC1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185787462 398091781 /nfs/dbraw/zinc/09/17/81/398091781.db2.gz WARHMXWJZBOWNQ-OOJKYFRXSA-N 1 0 234.387 3.627 10 30 BHEERO CCC1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185787483 256858074 /nfs/dbraw/zinc/85/80/74/256858074.db2.gz WARHMXWJZBOWNQ-SHWKFHJASA-N 1 0 234.387 3.627 10 30 BHEERO CCC1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185787503 256858479 /nfs/dbraw/zinc/85/84/79/256858479.db2.gz WARHMXWJZBOWNQ-HXSCFSKGSA-N 1 0 234.387 3.627 10 30 BHEERO CCC1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185787523 256858326 /nfs/dbraw/zinc/85/83/26/256858326.db2.gz WARHMXWJZBOWNQ-JYVUQVBGSA-N 1 0 234.387 3.627 10 30 BHEERO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000193428531 388704495 /nfs/dbraw/zinc/70/44/95/388704495.db2.gz LCVKVWHUOCWOCF-OAHLLOKOSA-N 1 0 247.386 3.683 10 30 BHEERO C=CCCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000193428548 388704321 /nfs/dbraw/zinc/70/43/21/388704321.db2.gz LCVKVWHUOCWOCF-HNNXBMFYSA-N 1 0 247.386 3.683 10 30 BHEERO CCCCCCCC[NH2+][Si](C)(C)C ZINC000195826214 347690145 /nfs/dbraw/zinc/69/01/45/347690145.db2.gz LZGWHXDPJZBXAQ-UHFFFAOYSA-N 1 0 201.430 3.771 10 30 BHEERO CC[C@@H](C)[N@@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000197726769 348407539 /nfs/dbraw/zinc/40/75/39/348407539.db2.gz TYYIXERJKMDZBL-CJNGLKHVSA-N 1 0 242.366 3.536 10 30 BHEERO C[C@@H]1CCC[C@H](CCCC[NH2+]CCS)C1 ZINC000204953872 176136325 /nfs/dbraw/zinc/13/63/25/176136325.db2.gz JCVBAPJBPOEJSK-OLZOCXBDSA-N 1 0 229.433 3.502 10 30 BHEERO C[C@H]1CCC[C@H](CCCC[NH2+]CCS)C1 ZINC000204953893 177132555 /nfs/dbraw/zinc/13/25/55/177132555.db2.gz JCVBAPJBPOEJSK-STQMWFEESA-N 1 0 229.433 3.502 10 30 BHEERO C[C@@H]1CCC[C@@H](CCCC[NH2+]CCS)C1 ZINC000204953913 176116667 /nfs/dbraw/zinc/11/66/67/176116667.db2.gz JCVBAPJBPOEJSK-CHWSQXEVSA-N 1 0 229.433 3.502 10 30 BHEERO C[C@H]1CCC[C@@H](CCCC[NH2+]CCS)C1 ZINC000204953930 177118782 /nfs/dbraw/zinc/11/87/82/177118782.db2.gz JCVBAPJBPOEJSK-QWHCGFSZSA-N 1 0 229.433 3.502 10 30 BHEERO CCC1CCC(CCCC[NH2+]CCS)CC1 ZINC000204953991 385644790 /nfs/dbraw/zinc/64/47/90/385644790.db2.gz KPXCYSAOMAKKNT-UHFFFAOYSA-N 1 0 243.460 3.893 10 30 BHEERO C[C@@H]1CC[C@H](C)[C@H](CCCC[NH2+]CCS)C1 ZINC000204954011 360494187 /nfs/dbraw/zinc/49/41/87/360494187.db2.gz ZICAUDTZENEANJ-HZSPNIEDSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@@H]1CC[C@@H](C)[C@H](CCCC[NH2+]CCS)C1 ZINC000204954051 343654516 /nfs/dbraw/zinc/65/45/16/343654516.db2.gz ZICAUDTZENEANJ-MGPQQGTHSA-N 1 0 243.460 3.748 10 30 BHEERO CC[C@H](C[NH2+]CCS)CC1CCCCC1 ZINC000204954638 385644533 /nfs/dbraw/zinc/64/45/33/385644533.db2.gz RRUUYEWAVLUTRV-LBPRGKRZSA-N 1 0 229.433 3.502 10 30 BHEERO CC[C@@H](C[NH2+]CCS)CC1CCCCC1 ZINC000204954649 385644863 /nfs/dbraw/zinc/64/48/63/385644863.db2.gz RRUUYEWAVLUTRV-GFCCVEGCSA-N 1 0 229.433 3.502 10 30 BHEERO CC[N+](C)(CC)CCCCCCCCCC=O ZINC000206262174 717160417 /nfs/dbraw/zinc/16/04/17/717160417.db2.gz XODZGGRLSRRGQF-UHFFFAOYSA-N 1 0 242.427 3.793 10 30 BHEERO CCC(=[NH2+])Nc1c(Cl)cc(F)cc1Cl ZINC000215733329 371623696 /nfs/dbraw/zinc/62/36/96/371623696.db2.gz NMYBSYGCEQJHIL-UHFFFAOYSA-N 1 0 235.089 3.531 10 30 BHEERO C[C@@H]1CC[C@@H](C)[C@@H](CCCC[NH2+]CCS)C1 ZINC000216080621 176199971 /nfs/dbraw/zinc/19/99/71/176199971.db2.gz ZICAUDTZENEANJ-MCIONIFRSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@@H]1CC[C@H](C)C[C@@H]1CCCC[NH2+]CCS ZINC000216080673 177187746 /nfs/dbraw/zinc/18/77/46/177187746.db2.gz ZICAUDTZENEANJ-MJBXVCDLSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@@H]1CC[C@H](C)[C@@H](CCCC[NH2+]CCS)C1 ZINC000216080713 177184407 /nfs/dbraw/zinc/18/44/07/177184407.db2.gz ZICAUDTZENEANJ-RDBSUJKOSA-N 1 0 243.460 3.748 10 30 BHEERO C[C@H]1CC[C@H](C)[C@@H](CCCC[NH2+]CCS)C1 ZINC000216080756 177200010 /nfs/dbraw/zinc/20/00/10/177200010.db2.gz ZICAUDTZENEANJ-IHRRRGAJSA-N 1 0 243.460 3.748 10 30 BHEERO CC(C)(C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000217933759 344209920 /nfs/dbraw/zinc/20/99/20/344209920.db2.gz CXZSGGLGMCQOCJ-UHFFFAOYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)=[NH+]C([Si](C)(C)C)[Si](C)(C)C ZINC000220156902 490225129 /nfs/dbraw/zinc/22/51/29/490225129.db2.gz JVJKHRQXWRXKMR-UHFFFAOYSA-N 1 0 215.489 3.591 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cccc(Cl)c1C ZINC000220443420 344331528 /nfs/dbraw/zinc/33/15/28/344331528.db2.gz CQGOPWGJNYPKFC-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cccc(Cl)c1C ZINC000220443480 344331440 /nfs/dbraw/zinc/33/14/40/344331440.db2.gz CQGOPWGJNYPKFC-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO CCCCCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220957437 592378700 /nfs/dbraw/zinc/37/87/00/592378700.db2.gz GZKADBLTLZMTQU-ZDUSSCGKSA-N 1 0 238.375 3.994 10 30 BHEERO CCCCCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000220957496 592379208 /nfs/dbraw/zinc/37/92/08/592379208.db2.gz GZKADBLTLZMTQU-CYBMUJFWSA-N 1 0 238.375 3.994 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000225238128 398285466 /nfs/dbraw/zinc/28/54/66/398285466.db2.gz SDUOZUQXCHDFTK-GJZGRUSLSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000225238168 398285315 /nfs/dbraw/zinc/28/53/15/398285315.db2.gz SDUOZUQXCHDFTK-CABCVRRESA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000225238208 398285348 /nfs/dbraw/zinc/28/53/48/398285348.db2.gz SDUOZUQXCHDFTK-LSDHHAIUSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000225238245 398285193 /nfs/dbraw/zinc/28/51/93/398285193.db2.gz SDUOZUQXCHDFTK-HUUCEWRRSA-N 1 0 234.387 3.629 10 30 BHEERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)NC1CCCC1 ZINC000226060115 188358074 /nfs/dbraw/zinc/35/80/74/188358074.db2.gz CPPFAXIYYWWYFS-BMFZPTHFSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)C(C[NH2+][C@@H]1CCCC[C@@H]1C#N)C(C)C ZINC000229548504 372162834 /nfs/dbraw/zinc/16/28/34/372162834.db2.gz HVVUGWCWBRTXQA-UKRRQHHQSA-N 1 0 236.403 3.587 10 30 BHEERO CC(C)C(C[NH2+][C@H]1CCCC[C@@H]1C#N)C(C)C ZINC000229548512 372163255 /nfs/dbraw/zinc/16/32/55/372163255.db2.gz HVVUGWCWBRTXQA-HIFRSBDPSA-N 1 0 236.403 3.587 10 30 BHEERO CC(C)C(C[NH2+][C@@H]1CCCC[C@H]1C#N)C(C)C ZINC000229548519 372163084 /nfs/dbraw/zinc/16/30/84/372163084.db2.gz HVVUGWCWBRTXQA-DZGCQCFKSA-N 1 0 236.403 3.587 10 30 BHEERO CC(C)C(C[NH2+][C@H]1CCCC[C@H]1C#N)C(C)C ZINC000229548527 372163100 /nfs/dbraw/zinc/16/31/00/372163100.db2.gz HVVUGWCWBRTXQA-ZFWWWQNUSA-N 1 0 236.403 3.587 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000229737642 372188124 /nfs/dbraw/zinc/18/81/24/372188124.db2.gz KBZNVTAWWVFMPW-LLVKDONJSA-N 1 0 247.235 3.811 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000229737647 372188233 /nfs/dbraw/zinc/18/82/33/372188233.db2.gz KBZNVTAWWVFMPW-NSHDSACASA-N 1 0 247.235 3.811 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000229738424 372188250 /nfs/dbraw/zinc/18/82/50/372188250.db2.gz ZDRRNEMGOGPKBX-LLVKDONJSA-N 1 0 245.244 3.551 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000229738431 372187916 /nfs/dbraw/zinc/18/79/16/372187916.db2.gz ZDRRNEMGOGPKBX-NSHDSACASA-N 1 0 245.244 3.551 10 30 BHEERO C#CCCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000230617623 641073087 /nfs/dbraw/zinc/07/30/87/641073087.db2.gz CUZKLPCMHVKXPB-MRXNPFEDSA-N 1 0 241.378 3.703 10 30 BHEERO C#CCCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000230617633 641073551 /nfs/dbraw/zinc/07/35/51/641073551.db2.gz CUZKLPCMHVKXPB-INIZCTEOSA-N 1 0 241.378 3.703 10 30 BHEERO CCCCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230642121 635489368 /nfs/dbraw/zinc/48/93/68/635489368.db2.gz KJJNJPPFHVMXDF-LBPRGKRZSA-N 1 0 224.348 3.604 10 30 BHEERO CCCCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000230642130 641075664 /nfs/dbraw/zinc/07/56/64/641075664.db2.gz KJJNJPPFHVMXDF-GFCCVEGCSA-N 1 0 224.348 3.604 10 30 BHEERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000230771613 388830718 /nfs/dbraw/zinc/83/07/18/388830718.db2.gz ZSYVBXYFTOIXOE-XUWVNRHRSA-N 1 0 248.414 3.873 10 30 BHEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]2CCC)cc1 ZINC000231673189 259652850 /nfs/dbraw/zinc/65/28/50/259652850.db2.gz XOXNSNUQMILEBP-GDBMZVCRSA-N 1 0 245.366 3.530 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(C)cc1Cl ZINC000232451747 352674205 /nfs/dbraw/zinc/67/42/05/352674205.db2.gz KPGZJQQBWOPHQP-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)cc1C ZINC000232451879 352674279 /nfs/dbraw/zinc/67/42/79/352674279.db2.gz YWHFPSJSJQJTPY-GFCCVEGCSA-N 1 0 209.720 3.614 10 30 BHEERO CC#CCC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232457204 398180935 /nfs/dbraw/zinc/18/09/35/398180935.db2.gz JZDSOZPNFUWNTI-QMMMGPOBSA-N 1 0 248.178 3.858 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(C)cc1Cl ZINC000232459107 352679125 /nfs/dbraw/zinc/67/91/25/352679125.db2.gz KPGZJQQBWOPHQP-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1ccc(Cl)cc1C ZINC000232459158 352679091 /nfs/dbraw/zinc/67/90/91/352679091.db2.gz YWHFPSJSJQJTPY-LBPRGKRZSA-N 1 0 209.720 3.614 10 30 BHEERO CC#CCC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232478408 352742866 /nfs/dbraw/zinc/74/28/66/352742866.db2.gz JZDSOZPNFUWNTI-MRVPVSSYSA-N 1 0 248.178 3.858 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232556936 353128372 /nfs/dbraw/zinc/12/83/72/353128372.db2.gz FXFRGWJWCAYGIR-SSDOTTSWSA-N 1 0 222.140 3.631 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232564408 353133154 /nfs/dbraw/zinc/13/31/54/353133154.db2.gz FXFRGWJWCAYGIR-ZETCQYMHSA-N 1 0 222.140 3.631 10 30 BHEERO Cc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)o1 ZINC000235192897 386142414 /nfs/dbraw/zinc/14/24/14/386142414.db2.gz KQPJSYDVLKKUPD-CYBMUJFWSA-N 1 0 248.370 3.959 10 30 BHEERO Cc1ccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)o1 ZINC000235506673 259674453 /nfs/dbraw/zinc/67/44/53/259674453.db2.gz KQPJSYDVLKKUPD-ZDUSSCGKSA-N 1 0 248.370 3.959 10 30 BHEERO C[C@H]1C[C@H](CC[NH+]2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000246296212 388628675 /nfs/dbraw/zinc/62/86/75/388628675.db2.gz UZEIHDLMTGYASU-FOLVSLTJSA-N 1 0 248.414 3.684 10 30 BHEERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000247007885 388657366 /nfs/dbraw/zinc/65/73/66/388657366.db2.gz MAMVGOUCOKJLOM-ILXRZTDVSA-N 1 0 236.403 3.731 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248782445 388694143 /nfs/dbraw/zinc/69/41/43/388694143.db2.gz IBOBNKCFVJVMET-RRFJBIMHSA-N 1 0 242.366 3.728 10 30 BHEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248782450 325621570 /nfs/dbraw/zinc/62/15/70/325621570.db2.gz IBOBNKCFVJVMET-ZNMIVQPWSA-N 1 0 242.366 3.728 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250795193 635496205 /nfs/dbraw/zinc/49/62/05/635496205.db2.gz AINGLAPZOWZOEG-CWVYHPPDSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250795198 635496493 /nfs/dbraw/zinc/49/64/93/635496493.db2.gz AINGLAPZOWZOEG-GVRJEKJASA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250795204 635496237 /nfs/dbraw/zinc/49/62/37/635496237.db2.gz AINGLAPZOWZOEG-LJIZCISZSA-N 1 0 246.398 3.627 10 30 BHEERO CCCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000250795945 635701378 /nfs/dbraw/zinc/70/13/78/635701378.db2.gz ASVDXDBVFZZBTB-IHRRRGAJSA-N 1 0 227.392 3.502 10 30 BHEERO CCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000250795948 635701480 /nfs/dbraw/zinc/70/14/80/635701480.db2.gz ASVDXDBVFZZBTB-MELADBBJSA-N 1 0 227.392 3.502 10 30 BHEERO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000250830502 644781820 /nfs/dbraw/zinc/78/18/20/644781820.db2.gz QVBRWGCJVVTQQT-IHRRRGAJSA-N 1 0 222.376 3.627 10 30 BHEERO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000250830504 644782464 /nfs/dbraw/zinc/78/24/64/644782464.db2.gz QVBRWGCJVVTQQT-MELADBBJSA-N 1 0 222.376 3.627 10 30 BHEERO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000250833974 644781817 /nfs/dbraw/zinc/78/18/17/644781817.db2.gz SSFQTFNGIOXWPG-IHRRRGAJSA-N 1 0 222.376 3.627 10 30 BHEERO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000250833976 644782807 /nfs/dbraw/zinc/78/28/07/644782807.db2.gz SSFQTFNGIOXWPG-MELADBBJSA-N 1 0 222.376 3.627 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000251068487 535935026 /nfs/dbraw/zinc/93/50/26/535935026.db2.gz JFPTVNYNMQFHIY-AEGPPILISA-N 1 0 246.329 3.559 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000251068490 535946557 /nfs/dbraw/zinc/94/65/57/535946557.db2.gz JFPTVNYNMQFHIY-QEJZJMRPSA-N 1 0 246.329 3.559 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000251171914 369707526 /nfs/dbraw/zinc/70/75/26/369707526.db2.gz OWAYPJPIPCRNMW-IHRRRGAJSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000251171916 369707583 /nfs/dbraw/zinc/70/75/83/369707583.db2.gz OWAYPJPIPCRNMW-MELADBBJSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000251172892 369707602 /nfs/dbraw/zinc/70/76/02/369707602.db2.gz PGVSPDFILJVBDL-IHRRRGAJSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000251172896 369707470 /nfs/dbraw/zinc/70/74/70/369707470.db2.gz PGVSPDFILJVBDL-MELADBBJSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000251173784 369707441 /nfs/dbraw/zinc/70/74/41/369707441.db2.gz CBLPPSLWARTNJB-HRCADAONSA-N 1 0 242.366 3.810 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000251173788 369707592 /nfs/dbraw/zinc/70/75/92/369707592.db2.gz CBLPPSLWARTNJB-JYJNAYRXSA-N 1 0 242.366 3.810 10 30 BHEERO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251198900 343654753 /nfs/dbraw/zinc/65/47/53/343654753.db2.gz UXVGNXLCNDIBKW-IHRRRGAJSA-N 1 0 234.387 3.627 10 30 BHEERO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251198905 343654687 /nfs/dbraw/zinc/65/46/87/343654687.db2.gz UXVGNXLCNDIBKW-MJBXVCDLSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000251557710 369857221 /nfs/dbraw/zinc/85/72/21/369857221.db2.gz BJDCABLSJSOIBJ-CBBWQLFWSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000251557722 369856937 /nfs/dbraw/zinc/85/69/37/369856937.db2.gz BJDCABLSJSOIBJ-KBXIAJHMSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000251557732 369857268 /nfs/dbraw/zinc/85/72/68/369857268.db2.gz BJDCABLSJSOIBJ-QPSCCSFWSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000251702258 369903245 /nfs/dbraw/zinc/90/32/45/369903245.db2.gz IZVWDZTTWBQDDH-CBBWQLFWSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000251702261 369903465 /nfs/dbraw/zinc/90/34/65/369903465.db2.gz IZVWDZTTWBQDDH-KBXIAJHMSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000251702264 369903526 /nfs/dbraw/zinc/90/35/26/369903526.db2.gz IZVWDZTTWBQDDH-QPSCCSFWSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000252135880 345453971 /nfs/dbraw/zinc/45/39/71/345453971.db2.gz LMBFNDIDCHROIJ-CBBWQLFWSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000252135881 345454119 /nfs/dbraw/zinc/45/41/19/345454119.db2.gz LMBFNDIDCHROIJ-KBXIAJHMSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000252135882 345453933 /nfs/dbraw/zinc/45/39/33/345453933.db2.gz LMBFNDIDCHROIJ-QPSCCSFWSA-N 1 0 234.387 3.627 10 30 BHEERO C[N+](C)(C)c1ccc(N=Cc2ccccc2)cc1 ZINC000254456621 717170638 /nfs/dbraw/zinc/17/06/38/717170638.db2.gz AOIIREPACFBZDN-UHFFFAOYSA-N 1 0 239.342 3.634 10 30 BHEERO CCc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000278904733 133554021 /nfs/dbraw/zinc/55/40/21/133554021.db2.gz JCELNIJWHZVBSL-CHWSQXEVSA-N 1 0 230.355 3.592 10 30 BHEERO CCc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000278904737 351789495 /nfs/dbraw/zinc/78/94/95/351789495.db2.gz JCELNIJWHZVBSL-OLZOCXBDSA-N 1 0 230.355 3.592 10 30 BHEERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000278904739 133553962 /nfs/dbraw/zinc/55/39/62/133553962.db2.gz JCELNIJWHZVBSL-QWHCGFSZSA-N 1 0 230.355 3.592 10 30 BHEERO CCc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000278904742 351789065 /nfs/dbraw/zinc/78/90/65/351789065.db2.gz JCELNIJWHZVBSL-STQMWFEESA-N 1 0 230.355 3.592 10 30 BHEERO C=C(C)CC([NH3+])(c1ccccc1)c1ccccc1 ZINC000299805179 384484090 /nfs/dbraw/zinc/48/40/90/384484090.db2.gz BEZZAENNSPBSMC-UHFFFAOYSA-N 1 0 237.346 3.855 10 30 BHEERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000300311667 387932302 /nfs/dbraw/zinc/93/23/02/387932302.db2.gz ZSYVBXYFTOIXOE-FZKCQIBNSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000300311668 387933054 /nfs/dbraw/zinc/93/30/54/387933054.db2.gz ZSYVBXYFTOIXOE-VGWMRTNUSA-N 1 0 248.414 3.873 10 30 BHEERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000300311669 387933313 /nfs/dbraw/zinc/93/33/13/387933313.db2.gz ZSYVBXYFTOIXOE-YHUYYLMFSA-N 1 0 248.414 3.873 10 30 BHEERO C#CCCCCNc1cc[nH+]c2c(C)cccc12 ZINC000301656295 136265253 /nfs/dbraw/zinc/26/52/53/136265253.db2.gz HUAQNGPGDGWFDT-UHFFFAOYSA-N 1 0 238.334 3.759 10 30 BHEERO C=C(C)CN(C)c1cc[nH+]c2c(C)cccc12 ZINC000302057068 134157237 /nfs/dbraw/zinc/15/72/37/134157237.db2.gz QTTYRGJGEDYBDT-UHFFFAOYSA-N 1 0 226.323 3.556 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000302620727 371583926 /nfs/dbraw/zinc/58/39/26/371583926.db2.gz PWWSGKGNEQCEKK-LLVKDONJSA-N 1 0 245.244 3.551 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000302620728 356621808 /nfs/dbraw/zinc/62/18/08/356621808.db2.gz PWWSGKGNEQCEKK-NSHDSACASA-N 1 0 245.244 3.551 10 30 BHEERO CC[N@H+](CCCCCC#N)Cc1ccccc1 ZINC000306600803 353029203 /nfs/dbraw/zinc/02/92/03/353029203.db2.gz ABLCTKHDLKGVFV-UHFFFAOYSA-N 1 0 230.355 3.592 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1c(C)cccc1Cl ZINC000306743149 350932764 /nfs/dbraw/zinc/93/27/64/350932764.db2.gz WSDGUDKWQAGHAV-LLVKDONJSA-N 1 0 209.720 3.614 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1c(C)cccc1Cl ZINC000306788120 351038365 /nfs/dbraw/zinc/03/83/65/351038365.db2.gz WSDGUDKWQAGHAV-NSHDSACASA-N 1 0 209.720 3.614 10 30 BHEERO CC[C@@H](C)[N@H+](C/C=C/CS)Cc1ccccc1 ZINC000307081297 351469814 /nfs/dbraw/zinc/46/98/14/351469814.db2.gz OZCAUOPQQFHOGX-HSBSLETESA-N 1 0 249.423 3.773 10 30 BHEERO CC[C@H](C)[N@H+](C/C=C/CS)Cc1ccccc1 ZINC000307081298 351469416 /nfs/dbraw/zinc/46/94/16/351469416.db2.gz OZCAUOPQQFHOGX-NPQIQWPPSA-N 1 0 249.423 3.773 10 30 BHEERO C=CCCCCC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000308931127 631745952 /nfs/dbraw/zinc/74/59/52/631745952.db2.gz FHRHUJCZHGNAKI-CHWSQXEVSA-N 1 0 209.377 3.900 10 30 BHEERO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000308931129 631745265 /nfs/dbraw/zinc/74/52/65/631745265.db2.gz FHRHUJCZHGNAKI-OLZOCXBDSA-N 1 0 209.377 3.900 10 30 BHEERO C=CCCCCC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000308931131 631746250 /nfs/dbraw/zinc/74/62/50/631746250.db2.gz FHRHUJCZHGNAKI-QWHCGFSZSA-N 1 0 209.377 3.900 10 30 BHEERO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000308931132 631746659 /nfs/dbraw/zinc/74/66/59/631746659.db2.gz FHRHUJCZHGNAKI-STQMWFEESA-N 1 0 209.377 3.900 10 30 BHEERO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309751284 491155605 /nfs/dbraw/zinc/15/56/05/491155605.db2.gz GSXLSBHWDRTQBH-NEPJUHHUSA-N 1 0 235.758 3.793 10 30 BHEERO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309751286 491155558 /nfs/dbraw/zinc/15/55/58/491155558.db2.gz GSXLSBHWDRTQBH-RYUDHWBXSA-N 1 0 235.758 3.793 10 30 BHEERO C=CCCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000309813700 633769917 /nfs/dbraw/zinc/76/99/17/633769917.db2.gz ZVQQAXSNBFEEFC-AWEZNQCLSA-N 1 0 217.356 3.564 10 30 BHEERO C=CCCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000309813702 633771988 /nfs/dbraw/zinc/77/19/88/633771988.db2.gz ZVQQAXSNBFEEFC-CQSZACIVSA-N 1 0 217.356 3.564 10 30 BHEERO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000309825551 491157336 /nfs/dbraw/zinc/15/73/36/491157336.db2.gz XHZQMNSWXWLRHD-NEPJUHHUSA-N 1 0 235.758 3.793 10 30 BHEERO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000309825552 491157286 /nfs/dbraw/zinc/15/72/86/491157286.db2.gz XHZQMNSWXWLRHD-NWDGAFQWSA-N 1 0 235.758 3.793 10 30 BHEERO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000309825554 491157330 /nfs/dbraw/zinc/15/73/30/491157330.db2.gz XHZQMNSWXWLRHD-RYUDHWBXSA-N 1 0 235.758 3.793 10 30 BHEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000309825556 491059091 /nfs/dbraw/zinc/05/90/91/491059091.db2.gz XHZQMNSWXWLRHD-VXGBXAGGSA-N 1 0 235.758 3.793 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000310425288 344742150 /nfs/dbraw/zinc/74/21/50/344742150.db2.gz PPFALMAXZKHZFS-LLVKDONJSA-N 1 0 245.244 3.551 10 30 BHEERO C=CCC[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000310425289 344741992 /nfs/dbraw/zinc/74/19/92/344741992.db2.gz PPFALMAXZKHZFS-NSHDSACASA-N 1 0 245.244 3.551 10 30 BHEERO CC(C)C1CCC(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000310621276 384901050 /nfs/dbraw/zinc/90/10/50/384901050.db2.gz HIAICQMETDKFGP-CKUJCDMFSA-N 1 0 248.414 3.731 10 30 BHEERO CC(C)C1CCC(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000310621277 384902804 /nfs/dbraw/zinc/90/28/04/384902804.db2.gz HIAICQMETDKFGP-FJBKBRRZSA-N 1 0 248.414 3.731 10 30 BHEERO CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000310621278 384902735 /nfs/dbraw/zinc/90/27/35/384902735.db2.gz HIAICQMETDKFGP-QDIHITRGSA-N 1 0 248.414 3.731 10 30 BHEERO CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000310621279 384901366 /nfs/dbraw/zinc/90/13/66/384901366.db2.gz HIAICQMETDKFGP-SSHXOBKSSA-N 1 0 248.414 3.731 10 30 BHEERO C=CCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000310909503 388837900 /nfs/dbraw/zinc/83/79/00/388837900.db2.gz OQVQIKZMFBPKFA-GFCCVEGCSA-N 1 0 248.326 3.602 10 30 BHEERO C=CCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000310909504 388837559 /nfs/dbraw/zinc/83/75/59/388837559.db2.gz OQVQIKZMFBPKFA-LBPRGKRZSA-N 1 0 248.326 3.602 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000313043177 385238125 /nfs/dbraw/zinc/23/81/25/385238125.db2.gz RNYXBYKDSPVART-KKUMJFAQSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313043179 385237246 /nfs/dbraw/zinc/23/72/46/385237246.db2.gz RNYXBYKDSPVART-RRFJBIMHSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313043181 385238689 /nfs/dbraw/zinc/23/86/89/385238689.db2.gz RNYXBYKDSPVART-SOUVJXGZSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000313043183 385237791 /nfs/dbraw/zinc/23/77/91/385237791.db2.gz RNYXBYKDSPVART-ZNMIVQPWSA-N 1 0 246.398 3.771 10 30 BHEERO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000313379964 398212050 /nfs/dbraw/zinc/21/20/50/398212050.db2.gz CAANPTNPIGZGDK-ILXRZTDVSA-N 1 0 234.387 3.627 10 30 BHEERO CCC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000313379967 398212629 /nfs/dbraw/zinc/21/26/29/398212629.db2.gz CAANPTNPIGZGDK-KKUMJFAQSA-N 1 0 234.387 3.627 10 30 BHEERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000313379969 398212430 /nfs/dbraw/zinc/21/24/30/398212430.db2.gz CAANPTNPIGZGDK-QLFBSQMISA-N 1 0 234.387 3.627 10 30 BHEERO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000313379973 398212403 /nfs/dbraw/zinc/21/24/03/398212403.db2.gz CAANPTNPIGZGDK-SOUVJXGZSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000336768925 353285784 /nfs/dbraw/zinc/28/57/84/353285784.db2.gz VCGZRUMLSOFXHV-BDAKNGLRSA-N 1 0 242.775 3.744 10 30 BHEERO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(Cl)s1 ZINC000336768928 353285754 /nfs/dbraw/zinc/28/57/54/353285754.db2.gz VCGZRUMLSOFXHV-DTWKUNHWSA-N 1 0 242.775 3.744 10 30 BHEERO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000336768929 353285638 /nfs/dbraw/zinc/28/56/38/353285638.db2.gz VCGZRUMLSOFXHV-IUCAKERBSA-N 1 0 242.775 3.744 10 30 BHEERO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000336768931 353285477 /nfs/dbraw/zinc/28/54/77/353285477.db2.gz VCGZRUMLSOFXHV-RKDXNWHRSA-N 1 0 242.775 3.744 10 30 BHEERO C=CCCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000336791734 200842749 /nfs/dbraw/zinc/84/27/49/200842749.db2.gz OTGJNHUEGMWQBP-GFCCVEGCSA-N 1 0 249.402 3.527 10 30 BHEERO C=CCCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000336791735 387128882 /nfs/dbraw/zinc/12/88/82/387128882.db2.gz OTGJNHUEGMWQBP-LBPRGKRZSA-N 1 0 249.402 3.527 10 30 BHEERO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1CCC)C1CC1 ZINC000378753100 356979283 /nfs/dbraw/zinc/97/92/83/356979283.db2.gz WDZBQUIVWZLWNC-HZSPNIEDSA-N 1 0 207.361 3.509 10 30 BHEERO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]1CCC)C1CC1 ZINC000378753101 346827285 /nfs/dbraw/zinc/82/72/85/346827285.db2.gz WDZBQUIVWZLWNC-MGPQQGTHSA-N 1 0 207.361 3.509 10 30 BHEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000380132520 538985974 /nfs/dbraw/zinc/98/59/74/538985974.db2.gz TWDYTJHANYYBDB-NXEZZACHSA-N 1 0 241.787 3.854 10 30 BHEERO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000380132521 538985879 /nfs/dbraw/zinc/98/58/79/538985879.db2.gz TWDYTJHANYYBDB-VHSXEESVSA-N 1 0 241.787 3.854 10 30 BHEERO C=CCC[C@H]([NH2+][C@H]1C[C@@H]1CCC)C1CC1 ZINC000380205686 346809765 /nfs/dbraw/zinc/80/97/65/346809765.db2.gz WDZBQUIVWZLWNC-IHRRRGAJSA-N 1 0 207.361 3.509 10 30 BHEERO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]1CCC)C1CC1 ZINC000380205693 346811012 /nfs/dbraw/zinc/81/10/12/346811012.db2.gz WDZBQUIVWZLWNC-MELADBBJSA-N 1 0 207.361 3.509 10 30 BHEERO C=CCC[C@H]([NH2+][C@H]1C[C@H]1CCC)C1CC1 ZINC000380205696 346811068 /nfs/dbraw/zinc/81/10/68/346811068.db2.gz WDZBQUIVWZLWNC-RDBSUJKOSA-N 1 0 207.361 3.509 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000380909539 367322186 /nfs/dbraw/zinc/32/21/86/367322186.db2.gz UAJMHFMAMFTLQL-KKUMJFAQSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380909541 367322366 /nfs/dbraw/zinc/32/23/66/367322366.db2.gz UAJMHFMAMFTLQL-RRFJBIMHSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380909543 367321582 /nfs/dbraw/zinc/32/15/82/367321582.db2.gz UAJMHFMAMFTLQL-SOUVJXGZSA-N 1 0 246.398 3.771 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000380909544 367322476 /nfs/dbraw/zinc/32/24/76/367322476.db2.gz UAJMHFMAMFTLQL-ZNMIVQPWSA-N 1 0 246.398 3.771 10 30 BHEERO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000381283499 367374678 /nfs/dbraw/zinc/37/46/78/367374678.db2.gz YXAOOEUZTJRFIB-WDEREUQCSA-N 1 0 235.293 3.663 10 30 BHEERO CC[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000381746698 367453996 /nfs/dbraw/zinc/45/39/96/367453996.db2.gz QFCFSGSNCWVALG-GFCCVEGCSA-N 1 0 224.392 3.731 10 30 BHEERO CC[C@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000381746711 367454507 /nfs/dbraw/zinc/45/45/07/367454507.db2.gz QFCFSGSNCWVALG-LBPRGKRZSA-N 1 0 224.392 3.731 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000382786187 351051402 /nfs/dbraw/zinc/05/14/02/351051402.db2.gz YKBLXYAKPWWRJR-ILXRZTDVSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000382786195 351051222 /nfs/dbraw/zinc/05/12/22/351051222.db2.gz YKBLXYAKPWWRJR-KKUMJFAQSA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000382786198 351051435 /nfs/dbraw/zinc/05/14/35/351051435.db2.gz YKBLXYAKPWWRJR-QLFBSQMISA-N 1 0 234.387 3.627 10 30 BHEERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000382786202 351051071 /nfs/dbraw/zinc/05/10/71/351051071.db2.gz YKBLXYAKPWWRJR-SOUVJXGZSA-N 1 0 234.387 3.627 10 30 BHEERO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000390340382 347327601 /nfs/dbraw/zinc/32/76/01/347327601.db2.gz MRAASPOEBJXIDE-WDEREUQCSA-N 1 0 235.293 3.663 10 30 BHEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393160814 410301269 /nfs/dbraw/zinc/30/12/69/410301269.db2.gz VZQGFTCWDCFPNF-IGQOVBAYSA-N 1 0 207.361 3.509 10 30 BHEERO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000393940348 357321015 /nfs/dbraw/zinc/32/10/15/357321015.db2.gz HJIDEWKGIAKDMF-CHWSQXEVSA-N 1 0 227.367 3.707 10 30 BHEERO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000393940352 357321060 /nfs/dbraw/zinc/32/10/60/357321060.db2.gz HJIDEWKGIAKDMF-OLZOCXBDSA-N 1 0 227.367 3.707 10 30 BHEERO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000393940356 357321355 /nfs/dbraw/zinc/32/13/55/357321355.db2.gz HJIDEWKGIAKDMF-QWHCGFSZSA-N 1 0 227.367 3.707 10 30 BHEERO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000393940361 357321314 /nfs/dbraw/zinc/32/13/14/357321314.db2.gz HJIDEWKGIAKDMF-STQMWFEESA-N 1 0 227.367 3.707 10 30 BHEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000394647779 348661200 /nfs/dbraw/zinc/66/12/00/348661200.db2.gz XTGYDKLAVHOEKA-CABCVRRESA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000394647781 342813179 /nfs/dbraw/zinc/81/31/79/342813179.db2.gz XTGYDKLAVHOEKA-GJZGRUSLSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000394647783 348661060 /nfs/dbraw/zinc/66/10/60/348661060.db2.gz XTGYDKLAVHOEKA-HUUCEWRRSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000394647786 342813230 /nfs/dbraw/zinc/81/32/30/342813230.db2.gz XTGYDKLAVHOEKA-LSDHHAIUSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000395141669 344100917 /nfs/dbraw/zinc/10/09/17/344100917.db2.gz CUANNSBTMBFYKC-CABCVRRESA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000395141671 344100808 /nfs/dbraw/zinc/10/08/08/344100808.db2.gz CUANNSBTMBFYKC-GJZGRUSLSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395141672 344100773 /nfs/dbraw/zinc/10/07/73/344100773.db2.gz CUANNSBTMBFYKC-HUUCEWRRSA-N 1 0 234.387 3.629 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395141673 344100896 /nfs/dbraw/zinc/10/08/96/344100896.db2.gz CUANNSBTMBFYKC-LSDHHAIUSA-N 1 0 234.387 3.629 10 30 BHEERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000395220025 344126716 /nfs/dbraw/zinc/12/67/16/344126716.db2.gz LQGIZAQHHXIVEO-HZSPNIEDSA-N 1 0 236.403 3.873 10 30 BHEERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000395220027 344126874 /nfs/dbraw/zinc/12/68/74/344126874.db2.gz LQGIZAQHHXIVEO-MCIONIFRSA-N 1 0 236.403 3.873 10 30 BHEERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000395220866 344126492 /nfs/dbraw/zinc/12/64/92/344126492.db2.gz LQGIZAQHHXIVEO-MGPQQGTHSA-N 1 0 236.403 3.873 10 30 BHEERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000395220870 344126910 /nfs/dbraw/zinc/12/69/10/344126910.db2.gz LQGIZAQHHXIVEO-RDBSUJKOSA-N 1 0 236.403 3.873 10 30 BHEERO N#CCC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000397174720 350116210 /nfs/dbraw/zinc/11/62/10/350116210.db2.gz GBTSTIDBLJLZJC-HNNXBMFYSA-N 1 0 232.371 3.501 10 30 BHEERO N#CCC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000397174725 350115939 /nfs/dbraw/zinc/11/59/39/350115939.db2.gz GBTSTIDBLJLZJC-OAHLLOKOSA-N 1 0 232.371 3.501 10 30 BHEERO Cc1scc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1C ZINC000399838245 357071780 /nfs/dbraw/zinc/07/17/80/357071780.db2.gz GNHXFXLNPTUCBP-GXTWGEPZSA-N 1 0 248.395 3.537 10 30 BHEERO Cc1scc(C[NH2+][C@H]2CCCC[C@H]2C#N)c1C ZINC000399838246 357071693 /nfs/dbraw/zinc/07/16/93/357071693.db2.gz GNHXFXLNPTUCBP-JSGCOSHPSA-N 1 0 248.395 3.537 10 30 BHEERO Cc1scc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1C ZINC000399838247 357071713 /nfs/dbraw/zinc/07/17/13/357071713.db2.gz GNHXFXLNPTUCBP-OCCSQVGLSA-N 1 0 248.395 3.537 10 30 BHEERO Cc1scc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1C ZINC000399838248 357071671 /nfs/dbraw/zinc/07/16/71/357071671.db2.gz GNHXFXLNPTUCBP-TZMCWYRMSA-N 1 0 248.395 3.537 10 30 BHEERO N=Nc1ccc(N=C2C=CC(=[NH2+])C=C2)cc1 ZINC000409419469 136222271 /nfs/dbraw/zinc/22/22/71/136222271.db2.gz HFYMHHGFNXKMRG-UHFFFAOYSA-N 1 0 210.240 3.567 10 30 BHEERO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000411438116 191185564 /nfs/dbraw/zinc/18/55/64/191185564.db2.gz MKHBRXDISLFIBP-MNOVXSKESA-N 1 0 236.746 3.683 10 30 BHEERO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000411438118 191185930 /nfs/dbraw/zinc/18/59/30/191185930.db2.gz MKHBRXDISLFIBP-QWRGUYRKSA-N 1 0 236.746 3.683 10 30 BHEERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430745749 387647093 /nfs/dbraw/zinc/64/70/93/387647093.db2.gz ZQYWQBDFXIAVIP-ILXRZTDVSA-N 1 0 248.414 3.731 10 30 BHEERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430745751 387647360 /nfs/dbraw/zinc/64/73/60/387647360.db2.gz ZQYWQBDFXIAVIP-QLFBSQMISA-N 1 0 248.414 3.731 10 30 BHEERO C=C(C)C[C@@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575439806 387125159 /nfs/dbraw/zinc/12/51/59/387125159.db2.gz XUJSELNXMLPDAM-CQSZACIVSA-N 1 0 203.329 3.776 10 30 BHEERO C=C(C)C[C@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575439905 387126002 /nfs/dbraw/zinc/12/60/02/387126002.db2.gz XUJSELNXMLPDAM-AWEZNQCLSA-N 1 0 203.329 3.776 10 30 BHEERO C=CCC[C@@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575439929 387125201 /nfs/dbraw/zinc/12/52/01/387125201.db2.gz ZBCDEFLTHYOHBK-CQSZACIVSA-N 1 0 203.329 3.776 10 30 BHEERO C=CCC[C@H]([NH3+])c1cccc(C(C)C)c1 ZINC000575440020 387127769 /nfs/dbraw/zinc/12/77/69/387127769.db2.gz ZBCDEFLTHYOHBK-AWEZNQCLSA-N 1 0 203.329 3.776 10 30 BHEERO C=C(C)[C@H]([NH3+])c1cc2cscc2s1 ZINC000575491814 387276741 /nfs/dbraw/zinc/27/67/41/387276741.db2.gz LIJXQSYMUMYDML-JTQLQIEISA-N 1 0 209.339 3.539 10 30 BHEERO C=C(C)[C@@H]([NH3+])c1cc2cscc2s1 ZINC000575491819 387276548 /nfs/dbraw/zinc/27/65/48/387276548.db2.gz LIJXQSYMUMYDML-SNVBAGLBSA-N 1 0 209.339 3.539 10 30 BHEERO C=C(Cl)CC1([NH3+])CCCCCCC1 ZINC000575542474 387590986 /nfs/dbraw/zinc/59/09/86/387590986.db2.gz UJXRPGVCKFRSNG-UHFFFAOYSA-N 1 0 201.741 3.571 10 30 BHEERO C=CC[C@@H](Cc1ccccc1)[NH+]=C(C)C ZINC000584594902 358252118 /nfs/dbraw/zinc/25/21/18/358252118.db2.gz HQTYMNDSNDNXEO-AWEZNQCLSA-N 1 0 201.313 3.655 10 30 BHEERO C=CC[C@H](Cc1ccccc1)[NH+]=C(C)C ZINC000584594906 358251920 /nfs/dbraw/zinc/25/19/20/358251920.db2.gz HQTYMNDSNDNXEO-CQSZACIVSA-N 1 0 201.313 3.655 10 30 BHEERO SCC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000584601746 358259403 /nfs/dbraw/zinc/25/94/03/358259403.db2.gz NKYRLUXOAQHHNU-UHFFFAOYSA-N 1 0 241.444 3.645 10 30 BHEERO CCCCCCCCCC[N@H+](C)CCN(C)C ZINC000584614452 358278729 /nfs/dbraw/zinc/27/87/29/358278729.db2.gz OILYQGQAHOKYHM-UHFFFAOYSA-N 1 0 242.451 3.621 10 30 BHEERO CCCCC1=C(CCCC[NH2+]C)CCCC1=O ZINC000584624657 358293112 /nfs/dbraw/zinc/29/31/12/358293112.db2.gz CJSXZCKKLWIOQK-UHFFFAOYSA-N 1 0 237.387 3.616 10 30 BHEERO C=CC[N@H+]1CC[C@@]2(C1)CCC[C@@H](C(F)(F)F)C2 ZINC000584625004 358293897 /nfs/dbraw/zinc/29/38/97/358293897.db2.gz ZKLOFJSRUNCYEZ-NEPJUHHUSA-N 1 0 247.304 3.617 10 30 BHEERO C=CC[N@H+]1CC[C@]2(C1)CCC[C@H](C(F)(F)F)C2 ZINC000584625005 358293869 /nfs/dbraw/zinc/29/38/69/358293869.db2.gz ZKLOFJSRUNCYEZ-NWDGAFQWSA-N 1 0 247.304 3.617 10 30 BHEERO C=CC[N@H+]1CC[C@@]2(C1)CCC[C@H](C(F)(F)F)C2 ZINC000584625006 358293887 /nfs/dbraw/zinc/29/38/87/358293887.db2.gz ZKLOFJSRUNCYEZ-RYUDHWBXSA-N 1 0 247.304 3.617 10 30 BHEERO C=CC[N@H+]1CC[C@]2(C1)CCC[C@@H](C(F)(F)F)C2 ZINC000584625007 358293755 /nfs/dbraw/zinc/29/37/55/358293755.db2.gz ZKLOFJSRUNCYEZ-VXGBXAGGSA-N 1 0 247.304 3.617 10 30 BHEERO CCCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000584636458 358321185 /nfs/dbraw/zinc/32/11/85/358321185.db2.gz JATLJONHAAPXLU-UHFFFAOYSA-N 1 0 242.366 3.592 10 30 BHEERO CC[NH+]=C1Nc2ccccc2-c2ccccc2N1 ZINC000584639089 358324676 /nfs/dbraw/zinc/32/46/76/358324676.db2.gz ZQPHYIZZCRGKJU-UHFFFAOYSA-N 1 0 237.306 3.567 10 30 BHEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000597081451 348658089 /nfs/dbraw/zinc/65/80/89/348658089.db2.gz ACHUOBIOTNICHU-BHDPWAOGSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000597081452 348658040 /nfs/dbraw/zinc/65/80/40/348658040.db2.gz ACHUOBIOTNICHU-GRAKBVBRSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000597081453 348657921 /nfs/dbraw/zinc/65/79/21/348657921.db2.gz ACHUOBIOTNICHU-GYTBAZASSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000597081454 348657887 /nfs/dbraw/zinc/65/78/87/348657887.db2.gz ACHUOBIOTNICHU-KNIAUWFNSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000597198303 348674571 /nfs/dbraw/zinc/67/45/71/348674571.db2.gz NCBAXBBPMYRZRX-FZKCQIBNSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000597198304 348674495 /nfs/dbraw/zinc/67/44/95/348674495.db2.gz NCBAXBBPMYRZRX-VGWMRTNUSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000597198305 348674691 /nfs/dbraw/zinc/67/46/91/348674691.db2.gz NCBAXBBPMYRZRX-XUWVNRHRSA-N 1 0 246.398 3.627 10 30 BHEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000597198306 348674731 /nfs/dbraw/zinc/67/47/31/348674731.db2.gz NCBAXBBPMYRZRX-YHUYYLMFSA-N 1 0 246.398 3.627 10 30 BHEERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597200017 487916584 /nfs/dbraw/zinc/91/65/84/487916584.db2.gz XQSBINUMPSZVNL-BPLDGKMQSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597200018 487916866 /nfs/dbraw/zinc/91/68/66/487916866.db2.gz XQSBINUMPSZVNL-SNPRPXQTSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597200019 487917033 /nfs/dbraw/zinc/91/70/33/487917033.db2.gz XQSBINUMPSZVNL-VHDGCEQUSA-N 1 0 234.387 3.627 10 30 BHEERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597200020 487916362 /nfs/dbraw/zinc/91/63/62/487916362.db2.gz XQSBINUMPSZVNL-YUELXQCFSA-N 1 0 234.387 3.627 10 30 BHEERO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1F ZINC000616581303 343514805 /nfs/dbraw/zinc/51/48/05/343514805.db2.gz MVFIGYSTEPWVRQ-CHWSQXEVSA-N 1 0 215.356 3.827 10 30 BHEERO CCCCCCC[NH2+]CC1(F)CCCC1 ZINC000616581501 349264641 /nfs/dbraw/zinc/26/46/41/349264641.db2.gz WAAABGCOJNJNAI-UHFFFAOYSA-N 1 0 215.356 3.829 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616603128 350788766 /nfs/dbraw/zinc/78/87/66/350788766.db2.gz BJQZKFJEYWRNNL-HNNXBMFYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616605316 350794299 /nfs/dbraw/zinc/79/42/99/350794299.db2.gz YLCYVBHUCCGOJO-INIZCTEOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616605318 350794349 /nfs/dbraw/zinc/79/43/49/350794349.db2.gz YMLBIJGJHSFPPA-INIZCTEOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616605896 350795729 /nfs/dbraw/zinc/79/57/29/350795729.db2.gz YLCYVBHUCCGOJO-MRXNPFEDSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000616609806 350805508 /nfs/dbraw/zinc/80/55/08/350805508.db2.gz ABZQPJPBQVAARV-AWEZNQCLSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616614080 350827258 /nfs/dbraw/zinc/82/72/58/350827258.db2.gz HYZYAXJHCQPEOI-OAHLLOKOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616614270 350830341 /nfs/dbraw/zinc/83/03/41/350830341.db2.gz NUVGBQPXYXOIHY-OAHLLOKOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616615497 369103147 /nfs/dbraw/zinc/10/31/47/369103147.db2.gz NUVGBQPXYXOIHY-HNNXBMFYSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616615775 411390389 /nfs/dbraw/zinc/39/03/89/411390389.db2.gz SAIZNDLLRKNGFM-HNNXBMFYSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616618195 350884229 /nfs/dbraw/zinc/88/42/29/350884229.db2.gz RGQRRSJRTZAAJD-HNNXBMFYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000616618231 350884358 /nfs/dbraw/zinc/88/43/58/350884358.db2.gz TUCQKDUUQHPNTK-HNNXBMFYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC000616618976 350925668 /nfs/dbraw/zinc/92/56/68/350925668.db2.gz BBYYRUZNDWGKOV-UHFFFAOYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[NH+]1CCC(c2ccccc2C#N)CC1 ZINC000616619006 350926203 /nfs/dbraw/zinc/92/62/03/350926203.db2.gz DHYJVGLSFBFUMQ-UHFFFAOYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616619703 350928545 /nfs/dbraw/zinc/92/85/45/350928545.db2.gz ABZQPJPBQVAARV-CQSZACIVSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616620956 350949092 /nfs/dbraw/zinc/94/90/92/350949092.db2.gz IJYIXDGOCHQQPW-INIZCTEOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616621352 351035376 /nfs/dbraw/zinc/03/53/76/351035376.db2.gz RGQRRSJRTZAAJD-OAHLLOKOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616621424 351034587 /nfs/dbraw/zinc/03/45/87/351034587.db2.gz TUCQKDUUQHPNTK-OAHLLOKOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616621684 351084190 /nfs/dbraw/zinc/08/41/90/351084190.db2.gz NRCQVTAEUWYENZ-INIZCTEOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616622067 398207206 /nfs/dbraw/zinc/20/72/06/398207206.db2.gz SMRHTCCIQDLSFC-INIZCTEOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616622846 351087772 /nfs/dbraw/zinc/08/77/72/351087772.db2.gz IJYIXDGOCHQQPW-MRXNPFEDSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616623571 351089193 /nfs/dbraw/zinc/08/91/93/351089193.db2.gz NRCQVTAEUWYENZ-MRXNPFEDSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616623739 351090345 /nfs/dbraw/zinc/09/03/45/351090345.db2.gz SMRHTCCIQDLSFC-MRXNPFEDSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626571 351106088 /nfs/dbraw/zinc/10/60/88/351106088.db2.gz SAIZNDLLRKNGFM-OAHLLOKOSA-N 1 0 242.366 3.884 10 30 BHEERO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616628319 351097685 /nfs/dbraw/zinc/09/76/85/351097685.db2.gz PUSDGWUGFQRXMX-CQSZACIVSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616628833 351099313 /nfs/dbraw/zinc/09/93/13/351099313.db2.gz PUSDGWUGFQRXMX-AWEZNQCLSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616629230 351100218 /nfs/dbraw/zinc/10/02/18/351100218.db2.gz ULGROJVOUKMKRC-OAHLLOKOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616629312 351100047 /nfs/dbraw/zinc/10/00/47/351100047.db2.gz VKSUPEQLLKNPHC-OAHLLOKOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616630039 351101997 /nfs/dbraw/zinc/10/19/97/351101997.db2.gz ULGROJVOUKMKRC-HNNXBMFYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616630078 351101528 /nfs/dbraw/zinc/10/15/28/351101528.db2.gz VKSUPEQLLKNPHC-HNNXBMFYSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616651889 351189314 /nfs/dbraw/zinc/18/93/14/351189314.db2.gz BJQZKFJEYWRNNL-OAHLLOKOSA-N 1 0 242.366 3.536 10 30 BHEERO CC(C)[N@@H+]1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616656486 351203324 /nfs/dbraw/zinc/20/33/24/351203324.db2.gz YMLBIJGJHSFPPA-MRXNPFEDSA-N 1 0 242.366 3.536 10 30 BHEERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000675075192 538508214 /nfs/dbraw/zinc/50/82/14/538508214.db2.gz HQMYVHYHCNICGR-GASCZTMLSA-N 1 0 248.414 3.828 10 30 BHEERO C[C@H]1C[C@H](C)C[NH+](CCCCC2(C#N)CCC2)C1 ZINC000675075196 538508228 /nfs/dbraw/zinc/50/82/28/538508228.db2.gz HQMYVHYHCNICGR-GJZGRUSLSA-N 1 0 248.414 3.828 10 30 BHEERO C[C@@H]1C[C@@H](C)C[NH+](CCCCC2(C#N)CCC2)C1 ZINC000675075198 538508188 /nfs/dbraw/zinc/50/81/88/538508188.db2.gz HQMYVHYHCNICGR-HUUCEWRRSA-N 1 0 248.414 3.828 10 30 BHEERO CC(C)[NH+](CCCCC1(C#N)CCC1)C(C)C ZINC000675075889 538510851 /nfs/dbraw/zinc/51/08/51/538510851.db2.gz WLVZEOXBJGGEQR-UHFFFAOYSA-N 1 0 236.403 3.969 10 30 BHEERO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@H]1C ZINC000675080245 538519500 /nfs/dbraw/zinc/51/95/00/538519500.db2.gz PUMZSMAUAWOIQD-GJZGRUSLSA-N 1 0 248.414 3.971 10 30 BHEERO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1C ZINC000675080246 538519365 /nfs/dbraw/zinc/51/93/65/538519365.db2.gz PUMZSMAUAWOIQD-HUUCEWRRSA-N 1 0 248.414 3.971 10 30 BHEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000675080247 538519277 /nfs/dbraw/zinc/51/92/77/538519277.db2.gz PUMZSMAUAWOIQD-LSDHHAIUSA-N 1 0 248.414 3.971 10 30 BHEERO CC1(C)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000675080826 538520058 /nfs/dbraw/zinc/52/00/58/538520058.db2.gz WLDSLULZVIEENH-UHFFFAOYSA-N 1 0 248.414 3.973 10 30 BHEERO CCCCCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960423 538907533 /nfs/dbraw/zinc/90/75/33/538907533.db2.gz KONNAQCHRBGQER-UHFFFAOYSA-N 1 0 247.382 3.706 10 30 BHEERO CCCCCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000705953685 712138105 /nfs/dbraw/zinc/13/81/05/712138105.db2.gz NCOLCSAZXPJHMP-KBPBESRZSA-N 1 0 222.376 3.629 10 30 BHEERO CCCCCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000705953686 712138449 /nfs/dbraw/zinc/13/84/49/712138449.db2.gz NCOLCSAZXPJHMP-KGLIPLIRSA-N 1 0 222.376 3.629 10 30 BHEERO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000705953687 712138236 /nfs/dbraw/zinc/13/82/36/712138236.db2.gz NCOLCSAZXPJHMP-UONOGXRCSA-N 1 0 222.376 3.629 10 30 BHEERO CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000705953688 712138339 /nfs/dbraw/zinc/13/83/39/712138339.db2.gz NCOLCSAZXPJHMP-ZIAGYGMSSA-N 1 0 222.376 3.629 10 30 BHEERO C=CCCC(C)(C)[NH2+]CCc1ccccc1 ZINC000717909364 712732955 /nfs/dbraw/zinc/73/29/55/712732955.db2.gz QWPVCCKIPGMRNT-UHFFFAOYSA-N 1 0 217.356 3.564 10 30 BHEERO CC1(C)CCCCC[C@H]1[NH2+]CCCCC#N ZINC000718966312 712790397 /nfs/dbraw/zinc/79/03/97/712790397.db2.gz RGTOKLQHROIKMC-CYBMUJFWSA-N 1 0 222.376 3.629 10 30 BHEERO CC1(C)CCCCC[C@@H]1[NH2+]CCCCC#N ZINC000718966315 712790495 /nfs/dbraw/zinc/79/04/95/712790495.db2.gz RGTOKLQHROIKMC-ZDUSSCGKSA-N 1 0 222.376 3.629 10 30 BHEERO C=C(CC)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757153172 582537269 /nfs/dbraw/zinc/53/72/69/582537269.db2.gz NPNBHELHKHMIFL-UHFFFAOYSA-N 1 0 223.747 3.704 10 30 BHEERO