smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854862 398328894 /nfs/dbraw/zinc/32/88/94/398328894.db2.gz BVKHEYIEIBVHII-NEPJUHHUSA-N 1 3 248.326 1.775 40 0 BDABHO [NH3+]CC1=CCN(Cc2ccccc2)CC1 ZINC000038523919 181364430 /nfs/dbraw/zinc/36/44/30/181364430.db2.gz MXOAGBOBRDXXEO-UHFFFAOYSA-N 1 3 202.301 1.777 40 0 BDABHO [NH3+]CCC1CCN(Cc2cccnc2)CC1 ZINC000015423987 181371595 /nfs/dbraw/zinc/37/15/95/181371595.db2.gz LCZDZHSURGNZGW-UHFFFAOYSA-N 1 3 219.332 1.642 40 0 BDABHO CN(C)C[C@@H]1CCCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593635 384016935 /nfs/dbraw/zinc/01/69/35/384016935.db2.gz IFVFPEMDOGILFX-STQMWFEESA-N 1 3 240.391 1.875 40 0 BDABHO CN(Cc1ccccc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000079414117 384135599 /nfs/dbraw/zinc/13/55/99/384135599.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 1 3 248.370 1.433 40 0 BDABHO CN(Cc1ccccc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079414117 384135606 /nfs/dbraw/zinc/13/56/06/384135606.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 1 3 248.370 1.433 40 0 BDABHO C[C@@H]1CCCCN1Cc1c(C[NH3+])cnn1C ZINC000408716832 384703936 /nfs/dbraw/zinc/70/39/36/384703936.db2.gz RLHFOWMKVDSTPV-SNVBAGLBSA-N 1 3 222.336 1.253 40 0 BDABHO N[C@@H]1C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000216407622 385055465 /nfs/dbraw/zinc/05/54/65/385055465.db2.gz HRHOQWHMSDKGIB-KGLIPLIRSA-N 1 3 216.328 2.000 40 0 BDABHO N[C@@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216407622 385055471 /nfs/dbraw/zinc/05/54/71/385055471.db2.gz HRHOQWHMSDKGIB-KGLIPLIRSA-N 1 3 216.328 2.000 40 0 BDABHO C[C@@H]([NH3+])CN(CCN(C)C)Cc1ccccc1 ZINC000096523925 385271705 /nfs/dbraw/zinc/27/17/05/385271705.db2.gz KFHPBHBZPAETEQ-CYBMUJFWSA-N 1 3 235.375 1.397 40 0 BDABHO CCN1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043601163 388612717 /nfs/dbraw/zinc/61/27/17/388612717.db2.gz QHAFTBYARMJUPG-AWEZNQCLSA-N 1 3 239.407 1.404 40 0 BDABHO C[NH2+]CCN(CCN(C)C)Cc1ccccc1 ZINC000096523955 173354191 /nfs/dbraw/zinc/35/41/91/173354191.db2.gz SGKVTTNVKHRBGI-UHFFFAOYSA-N 1 3 235.375 1.270 40 0 BDABHO COCCN(CCCC[NH3+])Cc1cccs1 ZINC000096523764 174290589 /nfs/dbraw/zinc/29/05/89/174290589.db2.gz CCRYFFCVDYHNPI-UHFFFAOYSA-N 1 3 242.388 1.935 40 0 BDABHO COc1ccc(CC2([NH3+])CCNCC2)cc1 ZINC000098213859 175088175 /nfs/dbraw/zinc/08/81/75/175088175.db2.gz YPXQKTRWWGCNAY-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO COc1ccc(CC2(N)CC[NH2+]CC2)cc1 ZINC000098213859 175088176 /nfs/dbraw/zinc/08/81/76/175088176.db2.gz YPXQKTRWWGCNAY-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO c1cnc(N2CC[NH2+]CC2)c([C@@H]2CCCCN2)c1 ZINC000072216354 259318497 /nfs/dbraw/zinc/31/84/97/259318497.db2.gz IDILNSPOVPHMCZ-ZDUSSCGKSA-N 1 3 246.358 1.306 40 0 BDABHO c1cc(N2CCNCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072216295 259318099 /nfs/dbraw/zinc/31/80/99/259318099.db2.gz PBXGSBWLQKLVMC-CYBMUJFWSA-N 1 3 246.358 1.306 40 0 BDABHO CC[NH+](CC)CC[C@@H](CN(C)C)C(C)=O ZINC000005572982 342766304 /nfs/dbraw/zinc/76/63/04/342766304.db2.gz DBLBQOUFFYCZBL-LBPRGKRZSA-N 1 3 214.353 1.485 40 0 BDABHO C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C)C1 ZINC000252486988 259325964 /nfs/dbraw/zinc/32/59/64/259325964.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 1 3 226.364 1.173 40 0 BDABHO C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCCN2C)C1 ZINC000252486988 259325965 /nfs/dbraw/zinc/32/59/65/259325965.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 1 3 226.364 1.173 40 0 BDABHO [NH3+]CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702337 181399187 /nfs/dbraw/zinc/39/91/87/181399187.db2.gz VPLOUQLMYCNBOS-CYBMUJFWSA-N 1 3 220.316 1.236 40 0 BDABHO CN1C[C@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607259 259541010 /nfs/dbraw/zinc/54/10/10/259541010.db2.gz VFJQQDKNVMXPLG-CMPLNLGQSA-N 1 3 208.280 1.430 40 0 BDABHO CCCN1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000020073824 169203262 /nfs/dbraw/zinc/20/32/62/169203262.db2.gz CJNBIPLPZOPQGP-UHFFFAOYSA-N 1 3 239.407 1.676 40 0 BDABHO CN(CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054417038 383842980 /nfs/dbraw/zinc/84/29/80/383842980.db2.gz MZQKEWUMXPKZHI-HNNXBMFYSA-N 1 3 247.386 1.542 40 0 BDABHO CCN1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486509 384892417 /nfs/dbraw/zinc/89/24/17/384892417.db2.gz KKBBBUBRGOOPKF-MWLCHTKSSA-N 1 3 234.347 1.903 40 0 BDABHO [NH3+]C[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000107745730 384997521 /nfs/dbraw/zinc/99/75/21/384997521.db2.gz RHPXRZWAHORCFY-RTCCRHLQSA-N 1 3 208.330 1.385 40 0 BDABHO [NH3+]C[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000107745744 384998554 /nfs/dbraw/zinc/99/85/54/384998554.db2.gz CFGGBMREHKLJTB-CLLJXQQHSA-N 1 3 220.291 1.462 40 0 BDABHO C[C@@H](NCC1CC[NH2+]CC1)c1cnccn1 ZINC000072203966 385058626 /nfs/dbraw/zinc/05/86/26/385058626.db2.gz HIEXWEJLWGKLEO-SNVBAGLBSA-N 1 3 220.320 1.127 40 0 BDABHO CC[NH+](CC)[C@H](c1ccccc1)[C@H](CN)CO ZINC000072210339 385066694 /nfs/dbraw/zinc/06/66/94/385066694.db2.gz FYOOYRIPBTWIDE-ZIAGYGMSSA-N 1 3 236.359 1.637 40 0 BDABHO CCN(CC)[C@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210339 385066705 /nfs/dbraw/zinc/06/67/05/385066705.db2.gz FYOOYRIPBTWIDE-ZIAGYGMSSA-N 1 3 236.359 1.637 40 0 BDABHO COc1ccc([C@H]2CN(C)C[C@@H]2C[NH3+])cc1 ZINC000216409195 385140817 /nfs/dbraw/zinc/14/08/17/385140817.db2.gz HKMUZIJDOFHNOP-WCQYABFASA-N 1 3 220.316 1.299 40 0 BDABHO CCN(CCCC[NH3+])Cc1cn(CC)nc1C ZINC000096523768 385267828 /nfs/dbraw/zinc/26/78/28/385267828.db2.gz SXPVZWBGFHIWHG-UHFFFAOYSA-N 1 3 238.379 1.772 40 0 BDABHO [NH3+][C@H]1CCC[C@H]1NCCc1cccs1 ZINC000218874671 386424164 /nfs/dbraw/zinc/42/41/64/386424164.db2.gz WJGVXTQYDKCYTE-WDEREUQCSA-N 1 3 210.346 1.760 40 0 BDABHO Cc1ccc([C@H]2CN(C)C[C@H]2C[NH3+])cc1 ZINC000242687741 388400525 /nfs/dbraw/zinc/40/05/25/388400525.db2.gz UTTGTIYNDWGBEC-CHWSQXEVSA-N 1 3 204.317 1.599 40 0 BDABHO CC[NH+](CC)CCCNC[C@H](C)C(=O)OC ZINC000035133631 343286114 /nfs/dbraw/zinc/28/61/14/343286114.db2.gz BVRODSRQGJBALS-NSHDSACASA-N 1 3 230.352 1.117 40 0 BDABHO CCN(CC)CCC[NH2+]C[C@H](C)C(=O)OC ZINC000035133631 343286117 /nfs/dbraw/zinc/28/61/17/343286117.db2.gz BVRODSRQGJBALS-NSHDSACASA-N 1 3 230.352 1.117 40 0 BDABHO Cc1cc(C)cc(NC(=N)NC(N)=[NH2+])c1 ZINC000025724500 187320097 /nfs/dbraw/zinc/32/00/97/187320097.db2.gz CPKDPKIXTPQUFG-UHFFFAOYSA-N 1 3 205.265 1.133 40 0 BDABHO Cc1cc(C)cc(NC(=[NH2+])NC(=N)N)c1 ZINC000025724500 187320099 /nfs/dbraw/zinc/32/00/99/187320099.db2.gz CPKDPKIXTPQUFG-UHFFFAOYSA-N 1 3 205.265 1.133 40 0 BDABHO CN(C)[C@@H]1CCC[N@H+](CC2(C)COC2)CC1 ZINC000429531330 201112722 /nfs/dbraw/zinc/11/27/22/201112722.db2.gz RIAQFVBCUFZUSM-GFCCVEGCSA-N 1 3 226.364 1.439 40 0 BDABHO CN(C)[C@@H]1CCC[N@@H+](CC2(C)COC2)CC1 ZINC000429531330 201112725 /nfs/dbraw/zinc/11/27/25/201112725.db2.gz RIAQFVBCUFZUSM-GFCCVEGCSA-N 1 3 226.364 1.439 40 0 BDABHO C[NH+](C)[C@@H]1CCCN(CC2(C)COC2)CC1 ZINC000429531330 201112728 /nfs/dbraw/zinc/11/27/28/201112728.db2.gz RIAQFVBCUFZUSM-GFCCVEGCSA-N 1 3 226.364 1.439 40 0 BDABHO CC(C)N(C(=O)CN)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407001 384138179 /nfs/dbraw/zinc/13/81/79/384138179.db2.gz REBNPYJAAIJZKA-VXGBXAGGSA-N 1 3 241.379 1.055 40 0 BDABHO N[C@H]1C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000076645998 384233512 /nfs/dbraw/zinc/23/35/12/384233512.db2.gz HRHOQWHMSDKGIB-KBPBESRZSA-N 1 3 216.328 2.000 40 0 BDABHO N[C@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000076645998 384233514 /nfs/dbraw/zinc/23/35/14/384233514.db2.gz HRHOQWHMSDKGIB-KBPBESRZSA-N 1 3 216.328 2.000 40 0 BDABHO c1cncc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000082546185 384308007 /nfs/dbraw/zinc/30/80/07/384308007.db2.gz YWWQUBWDNCVHST-UHFFFAOYSA-N 1 3 231.343 1.657 40 0 BDABHO Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)c(C)c1 ZINC000000203660 384380376 /nfs/dbraw/zinc/38/03/76/384380376.db2.gz PMRCTNJGDMXAPA-UHFFFAOYSA-N 1 3 245.330 1.489 40 0 BDABHO CN1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216328 385094837 /nfs/dbraw/zinc/09/48/37/385094837.db2.gz UHUYXOXQPORYMN-ZDUSSCGKSA-N 1 3 246.358 1.258 40 0 BDABHO c1cc(N2CCNCC2)ncc1C1=[NH+]CCCC1 ZINC000072216293 385095182 /nfs/dbraw/zinc/09/51/82/385095182.db2.gz RUABMBBZXVQYOD-UHFFFAOYSA-N 1 3 244.342 1.464 40 0 BDABHO Cc1nn(C)cc1CN(C)CCCCCC[NH3+] ZINC000096523737 385266955 /nfs/dbraw/zinc/26/69/55/385266955.db2.gz ARPLQCLUNCBOJH-UHFFFAOYSA-N 1 3 238.379 1.679 40 0 BDABHO CCCCN1CCN(C[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000096523967 385270797 /nfs/dbraw/zinc/27/07/97/385270797.db2.gz PKZJXTQSBPXKCW-KBPBESRZSA-N 1 3 241.423 1.778 40 0 BDABHO CC[C@@H](C)[C@@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190181 385821902 /nfs/dbraw/zinc/82/19/02/385821902.db2.gz DDZMFNXEGLFZQJ-OLZOCXBDSA-N 1 3 227.396 1.386 40 0 BDABHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccccc1 ZINC000218870519 386352757 /nfs/dbraw/zinc/35/27/57/386352757.db2.gz PKAFNOZHKZAREC-OLZOCXBDSA-N 1 3 204.317 1.699 40 0 BDABHO COc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218873279 175091828 /nfs/dbraw/zinc/09/18/28/175091828.db2.gz DBCVSLJONOHOAC-ZIAGYGMSSA-N 1 3 234.343 1.707 40 0 BDABHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)OC ZINC000035748328 343303576 /nfs/dbraw/zinc/30/35/76/343303576.db2.gz PNJXAWZCKGXWGB-LLVKDONJSA-N 1 3 230.352 1.260 40 0 BDABHO Cc1ccccc1CN1C[C@@H]2C[C@]2(C[NH3+])C1 ZINC000096509110 343755037 /nfs/dbraw/zinc/75/50/37/343755037.db2.gz JPMMLTFQAWZREU-KBPBESRZSA-N 1 3 216.328 1.776 40 0 BDABHO Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(CN)C1 ZINC000096509110 343755040 /nfs/dbraw/zinc/75/50/40/343755040.db2.gz JPMMLTFQAWZREU-KBPBESRZSA-N 1 3 216.328 1.776 40 0 BDABHO Cc1ccccc1C[N@H+]1C[C@@H]2C[C@]2(CN)C1 ZINC000096509110 343755042 /nfs/dbraw/zinc/75/50/42/343755042.db2.gz JPMMLTFQAWZREU-KBPBESRZSA-N 1 3 216.328 1.776 40 0 BDABHO CC(C)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919040 187357440 /nfs/dbraw/zinc/35/74/40/187357440.db2.gz JUJAOJHPGBFSSZ-CQSZACIVSA-N 1 3 239.407 1.402 40 0 BDABHO [NH3+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC000098213809 181331950 /nfs/dbraw/zinc/33/19/50/181331950.db2.gz GHSVXMVRGVZHAS-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO NC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000098213809 181331952 /nfs/dbraw/zinc/33/19/52/181331952.db2.gz GHSVXMVRGVZHAS-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO [NH3+]CCO[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079390677 181399330 /nfs/dbraw/zinc/39/93/30/181399330.db2.gz WDWMGBAELVWZKR-CQSZACIVSA-N 1 3 234.343 1.626 40 0 BDABHO CCCCN(CC)C[C@H](O)C[NH2+]C1CC1 ZINC000034978515 384009552 /nfs/dbraw/zinc/00/95/52/384009552.db2.gz HFRCFHDXTUFJHP-GFCCVEGCSA-N 1 3 214.353 1.221 40 0 BDABHO CN(Cc1c(C[NH3+])cnn1C)C1CCCCC1 ZINC000408715793 384701433 /nfs/dbraw/zinc/70/14/33/384701433.db2.gz DTMBTWVKGBMXEQ-UHFFFAOYSA-N 1 3 236.363 1.643 40 0 BDABHO C[C@H]1CCCCN1Cc1c(C[NH3+])cnn1C ZINC000408716831 384704936 /nfs/dbraw/zinc/70/49/36/384704936.db2.gz RLHFOWMKVDSTPV-JTQLQIEISA-N 1 3 222.336 1.253 40 0 BDABHO CC(C)COc1cccc(C[NH2+]CCN)c1 ZINC000072226466 385126485 /nfs/dbraw/zinc/12/64/85/385126485.db2.gz RKQHSDZRBRKPBP-UHFFFAOYSA-N 1 3 222.332 1.770 40 0 BDABHO CN1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216268 385093615 /nfs/dbraw/zinc/09/36/15/385093615.db2.gz UJMFGEGRNLZGBF-ZDUSSCGKSA-N 1 3 246.358 1.258 40 0 BDABHO NCc1ccccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000238856168 386536892 /nfs/dbraw/zinc/53/68/92/386536892.db2.gz VEXQRCFMXSEIPC-ZDUSSCGKSA-N 1 3 231.343 1.430 40 0 BDABHO NCc1ccccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000238856168 386536898 /nfs/dbraw/zinc/53/68/98/386536898.db2.gz VEXQRCFMXSEIPC-ZDUSSCGKSA-N 1 3 231.343 1.430 40 0 BDABHO C[C@@H](c1cnccn1)N1CCC(C[NH3+])CC1 ZINC000070026269 176035512 /nfs/dbraw/zinc/03/55/12/176035512.db2.gz LXRCXECBVRJRIV-JTQLQIEISA-N 1 3 220.320 1.208 40 0 BDABHO NC[C@H](CO)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210331 344512036 /nfs/dbraw/zinc/51/20/36/344512036.db2.gz KGTXLTAWHMNUME-HUUCEWRRSA-N 1 3 248.370 1.781 40 0 BDABHO [NH3+]C[C@H](CO)[C@@H](c1ccccc1)N1CCCCC1 ZINC000072210331 344512038 /nfs/dbraw/zinc/51/20/38/344512038.db2.gz KGTXLTAWHMNUME-HUUCEWRRSA-N 1 3 248.370 1.781 40 0 BDABHO CN(C[C@@H]1CCCC[NH2+]1)C1CCN(C)CC1 ZINC000019439098 355334420 /nfs/dbraw/zinc/33/44/20/355334420.db2.gz KOQVTDASENOHDO-LBPRGKRZSA-N 1 3 225.380 1.155 40 0 BDABHO CCN1CCN(CC2CCC(C[NH3+])CC2)CC1 ZINC000093426157 357673013 /nfs/dbraw/zinc/67/30/13/357673013.db2.gz UCYFUUPRSKEMLB-UHFFFAOYSA-N 1 3 239.407 1.389 40 0 BDABHO [NH3+]CC1CCN(Cc2cccnc2)CC1 ZINC000019843462 181365494 /nfs/dbraw/zinc/36/54/94/181365494.db2.gz LTMAFJBAIYNKGJ-UHFFFAOYSA-N 1 3 205.305 1.252 40 0 BDABHO CN1C[C@@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607304 259540974 /nfs/dbraw/zinc/54/09/74/259540974.db2.gz WZBGXWRNEQOOCJ-ZYHUDNBSSA-N 1 3 224.735 1.944 40 0 BDABHO CCCN1CCN(C[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000020073787 169202701 /nfs/dbraw/zinc/20/27/01/169202701.db2.gz RBCWTVMIYMMQII-STQMWFEESA-N 1 3 227.396 1.387 40 0 BDABHO CCCN1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000019257297 169202887 /nfs/dbraw/zinc/20/28/87/169202887.db2.gz OASXFGBPKVGFJK-HNNXBMFYSA-N 1 3 247.386 1.714 40 0 BDABHO CCCN1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000019511010 169203433 /nfs/dbraw/zinc/20/34/33/169203433.db2.gz KIAOEGAODJCSGQ-ZDUSSCGKSA-N 1 3 225.380 1.156 40 0 BDABHO CN1CCCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000034676261 383983200 /nfs/dbraw/zinc/98/32/00/383983200.db2.gz OVAIXYYSKZKZNO-OAHLLOKOSA-N 1 3 247.386 1.194 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407263 384135490 /nfs/dbraw/zinc/13/54/90/384135490.db2.gz KEBPBVLTDLEJFZ-QJPTWQEYSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)N1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000036190207 384181855 /nfs/dbraw/zinc/18/18/55/384181855.db2.gz QFMABRIWXQTFSB-CYBMUJFWSA-N 1 3 225.380 1.155 40 0 BDABHO CC(C)[C@@H]([NH3+])CCN(C)CCc1ccncc1 ZINC000096523803 385266753 /nfs/dbraw/zinc/26/67/53/385266753.db2.gz SJQAOXUODUHFOW-AWEZNQCLSA-N 1 3 235.375 1.929 40 0 BDABHO CC[C@H](C)[C@@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190183 385822164 /nfs/dbraw/zinc/82/21/64/385822164.db2.gz DDZMFNXEGLFZQJ-STQMWFEESA-N 1 3 227.396 1.386 40 0 BDABHO C[NH2+]CCN1CCN(C2CCCCC2)CC1 ZINC000096523953 173354514 /nfs/dbraw/zinc/35/45/14/173354514.db2.gz GOYFPVRIKWIALU-UHFFFAOYSA-N 1 3 225.380 1.156 40 0 BDABHO CC[C@@]1(C)NC(=N)NC(=[NH2+])N1c1ccc(C)cc1 ZINC000003074580 536071049 /nfs/dbraw/zinc/07/10/49/536071049.db2.gz HSZXJTXNPGKAHV-ZDUSSCGKSA-N 1 3 245.330 1.571 40 0 BDABHO CC[C@@H](C)[C@@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083664 259374138 /nfs/dbraw/zinc/37/41/38/259374138.db2.gz VAHUKHUVWIYUCA-KGLIPLIRSA-N 1 3 241.423 1.633 40 0 BDABHO Cc1ccccc1CN1C[C@H]2C[C@@]2(C[NH3+])C1 ZINC000216531120 179277340 /nfs/dbraw/zinc/27/73/40/179277340.db2.gz JPMMLTFQAWZREU-ZIAGYGMSSA-N 1 3 216.328 1.776 40 0 BDABHO Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(CN)C1 ZINC000216531120 179277343 /nfs/dbraw/zinc/27/73/43/179277343.db2.gz JPMMLTFQAWZREU-ZIAGYGMSSA-N 1 3 216.328 1.776 40 0 BDABHO Cc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(CN)C1 ZINC000216531120 179277346 /nfs/dbraw/zinc/27/73/46/179277346.db2.gz JPMMLTFQAWZREU-ZIAGYGMSSA-N 1 3 216.328 1.776 40 0 BDABHO Cc1nn(C)cc1CN(C)CC1CC[NH2+]CC1 ZINC000096523716 180372146 /nfs/dbraw/zinc/37/21/46/180372146.db2.gz XSZFMKDGOVOAIX-UHFFFAOYSA-N 1 3 236.363 1.160 40 0 BDABHO CC(C)CN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000055079592 369124413 /nfs/dbraw/zinc/12/44/13/369124413.db2.gz XQKLOHLFZXGFHG-AWEZNQCLSA-N 1 3 239.407 1.260 40 0 BDABHO CN(CC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054417029 383842506 /nfs/dbraw/zinc/84/25/06/383842506.db2.gz WWURKPADSHUWHP-CQSZACIVSA-N 1 3 233.359 1.151 40 0 BDABHO CN(C)C[C@H]1CCCCC[C@@H](C[NH+](C)C)C1=O ZINC000001670770 383921514 /nfs/dbraw/zinc/92/15/14/383921514.db2.gz IFVFPEMDOGILFX-BETUJISGSA-N 1 3 240.391 1.875 40 0 BDABHO CN(C)C[C@@H]1CCCCC[C@H](C[NH+](C)C)C1=O ZINC000001670770 383921519 /nfs/dbraw/zinc/92/15/19/383921519.db2.gz IFVFPEMDOGILFX-BETUJISGSA-N 1 3 240.391 1.875 40 0 BDABHO C[C@H](NCCN(C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000019365137 384516447 /nfs/dbraw/zinc/51/64/47/384516447.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 1 3 239.407 1.401 40 0 BDABHO C[C@H](NCCN(C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000019365137 384516450 /nfs/dbraw/zinc/51/64/50/384516450.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 1 3 239.407 1.401 40 0 BDABHO C[C@H]([NH3+])CN1CCN(C2CCCCC2)CC1 ZINC000096523920 385271669 /nfs/dbraw/zinc/27/16/69/385271669.db2.gz IBJRJHHMBZHDJN-LBPRGKRZSA-N 1 3 225.380 1.284 40 0 BDABHO CCCCN1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000096524007 385271914 /nfs/dbraw/zinc/27/19/14/385271914.db2.gz HRLYLANALXBHPU-AWEZNQCLSA-N 1 3 239.407 1.546 40 0 BDABHO C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000095097501 385434565 /nfs/dbraw/zinc/43/45/65/385434565.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 3 226.364 1.173 40 0 BDABHO C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000095097501 385434568 /nfs/dbraw/zinc/43/45/68/385434568.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 3 226.364 1.173 40 0 BDABHO CN1CCC([N@@H+]2CCN[C@H]3CCCC[C@H]32)CC1 ZINC000218835290 386157390 /nfs/dbraw/zinc/15/73/90/386157390.db2.gz WEDOSQOFDUQFFJ-UONOGXRCSA-N 1 3 237.391 1.297 40 0 BDABHO CN1CCC([N@H+]2CCN[C@H]3CCCC[C@H]32)CC1 ZINC000218835290 386157397 /nfs/dbraw/zinc/15/73/97/386157397.db2.gz WEDOSQOFDUQFFJ-UONOGXRCSA-N 1 3 237.391 1.297 40 0 BDABHO [NH3+]C[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]21 ZINC000247634475 386726632 /nfs/dbraw/zinc/72/66/32/386726632.db2.gz DADZZUVKEHQCEL-XYYAHUGASA-N 1 3 236.746 1.977 40 0 BDABHO NCc1ccccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020352340 132331501 /nfs/dbraw/zinc/33/15/01/132331501.db2.gz VEXQRCFMXSEIPC-CYBMUJFWSA-N 1 3 231.343 1.430 40 0 BDABHO NCc1ccccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000020352340 132331502 /nfs/dbraw/zinc/33/15/02/132331502.db2.gz VEXQRCFMXSEIPC-CYBMUJFWSA-N 1 3 231.343 1.430 40 0 BDABHO CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000242574985 519632540 /nfs/dbraw/zinc/63/25/40/519632540.db2.gz NNXHCQLIIHFSJI-SRVKXCTJSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000242574985 519632541 /nfs/dbraw/zinc/63/25/41/519632541.db2.gz NNXHCQLIIHFSJI-SRVKXCTJSA-N 1 3 241.379 1.101 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247973616 520037401 /nfs/dbraw/zinc/03/74/01/520037401.db2.gz ICEKJABMGPCNMV-SRVKXCTJSA-N 1 3 241.379 1.055 40 0 BDABHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccs1 ZINC000218874512 398243813 /nfs/dbraw/zinc/24/38/13/398243813.db2.gz WJGVXTQYDKCYTE-QWRGUYRKSA-N 1 3 210.346 1.760 40 0 BDABHO CCN(CC)CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000218856260 398328847 /nfs/dbraw/zinc/32/88/47/398328847.db2.gz JMXCNWJXZWQWGU-VXGBXAGGSA-N 1 3 213.369 1.188 40 0 BDABHO CCN(CC)CC[NH2+][C@H]1CCCC[C@@H]1N ZINC000218856193 398328958 /nfs/dbraw/zinc/32/89/58/398328958.db2.gz JMXCNWJXZWQWGU-RYUDHWBXSA-N 1 3 213.369 1.188 40 0 BDABHO Cc1ncc2cc(C)nc([C@H]3CCC[NH2+]C3)n21 ZINC000585261109 344372967 /nfs/dbraw/zinc/37/29/67/344372967.db2.gz SELAIUUHCANWSW-NSHDSACASA-N 1 3 230.315 1.813 40 0 BDABHO [NH3+]CC1CCN(Cc2cncs2)CC1 ZINC000072203315 181364993 /nfs/dbraw/zinc/36/49/93/181364993.db2.gz CBHDKWYXMJKQIL-UHFFFAOYSA-N 1 3 211.334 1.314 40 0 BDABHO [NH3+]CCO[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702336 181399417 /nfs/dbraw/zinc/39/94/17/181399417.db2.gz VPLOUQLMYCNBOS-ZDUSSCGKSA-N 1 3 220.316 1.236 40 0 BDABHO CCCN1CC2C[NH+](CCC)CC(C1)C2=O ZINC000034891799 169185456 /nfs/dbraw/zinc/18/54/56/169185456.db2.gz OMFLPCGPRUWPBC-UHFFFAOYSA-N 1 3 224.348 1.239 40 0 BDABHO CCCN1CCN(CCCCCC[NH3+])CC1 ZINC000020073767 169202412 /nfs/dbraw/zinc/20/24/12/169202412.db2.gz IZDRHXHIFNCSOV-UHFFFAOYSA-N 1 3 227.396 1.533 40 0 BDABHO CCCN1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000019511012 169202609 /nfs/dbraw/zinc/20/26/09/169202609.db2.gz KIAOEGAODJCSGQ-CYBMUJFWSA-N 1 3 225.380 1.156 40 0 BDABHO CN(Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414469 384135739 /nfs/dbraw/zinc/13/57/39/384135739.db2.gz NNVVZNJLUYXBRE-HNNXBMFYSA-N 1 3 247.386 1.542 40 0 BDABHO C[C@H](NCC1CC[NH2+]CC1)c1cnccn1 ZINC000072203965 385058948 /nfs/dbraw/zinc/05/89/48/385058948.db2.gz HIEXWEJLWGKLEO-JTQLQIEISA-N 1 3 220.320 1.127 40 0 BDABHO CCCCN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000096523679 385268482 /nfs/dbraw/zinc/26/84/82/385268482.db2.gz ZKUDRLQQFCYOOF-AWEZNQCLSA-N 1 3 239.407 1.404 40 0 BDABHO CCCCN1CCN(C[C@@H]([NH3+])C(C)C)CC1 ZINC000096523756 385269300 /nfs/dbraw/zinc/26/93/00/385269300.db2.gz LZOXQKYHVVESEX-CYBMUJFWSA-N 1 3 227.396 1.387 40 0 BDABHO CC(C)CCN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531579 385282613 /nfs/dbraw/zinc/28/26/13/385282613.db2.gz HKZTXNXVXLPTNM-UHFFFAOYSA-N 1 3 226.364 1.487 40 0 BDABHO CN(CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052174678 387462945 /nfs/dbraw/zinc/46/29/45/387462945.db2.gz XWDWHCIALWSRIC-PBWFPOADSA-N 1 3 238.375 1.628 40 0 BDABHO C[C@@H](NCCN(C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863015 397976531 /nfs/dbraw/zinc/97/65/31/397976531.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 1 3 239.407 1.401 40 0 BDABHO C[C@@H](NCCN(C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863015 397976533 /nfs/dbraw/zinc/97/65/33/397976533.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 1 3 239.407 1.401 40 0 BDABHO CN1C[C@@H](C[NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000082945367 173183940 /nfs/dbraw/zinc/18/39/40/173183940.db2.gz VFJQQDKNVMXPLG-PWSUYJOCSA-N 1 3 208.280 1.430 40 0 BDABHO CC(C)[N@H+](C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079419455 187263574 /nfs/dbraw/zinc/26/35/74/187263574.db2.gz SJWCBRSIHPELSO-TUAOUCFPSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079419455 187263576 /nfs/dbraw/zinc/26/35/76/187263576.db2.gz SJWCBRSIHPELSO-TUAOUCFPSA-N 1 3 241.379 1.101 40 0 BDABHO C1CC1[N@H+]([C@@H]1CCSC1)C1CCNCC1 ZINC000393783356 343810375 /nfs/dbraw/zinc/81/03/75/343810375.db2.gz RMAWCFGSCHOVAQ-GFCCVEGCSA-N 1 3 226.389 1.708 40 0 BDABHO C1CC1[N@@H+]([C@@H]1CCSC1)C1CCNCC1 ZINC000393783356 343810377 /nfs/dbraw/zinc/81/03/77/343810377.db2.gz RMAWCFGSCHOVAQ-GFCCVEGCSA-N 1 3 226.389 1.708 40 0 BDABHO C1CC1N([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783356 343810381 /nfs/dbraw/zinc/81/03/81/343810381.db2.gz RMAWCFGSCHOVAQ-GFCCVEGCSA-N 1 3 226.389 1.708 40 0 BDABHO C1CC1[N@H+]([C@H]1CCSC1)C1CCNCC1 ZINC000393783358 343810515 /nfs/dbraw/zinc/81/05/15/343810515.db2.gz RMAWCFGSCHOVAQ-LBPRGKRZSA-N 1 3 226.389 1.708 40 0 BDABHO C1CC1[N@@H+]([C@H]1CCSC1)C1CCNCC1 ZINC000393783358 343810518 /nfs/dbraw/zinc/81/05/18/343810518.db2.gz RMAWCFGSCHOVAQ-LBPRGKRZSA-N 1 3 226.389 1.708 40 0 BDABHO C1CC1N([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783358 343810520 /nfs/dbraw/zinc/81/05/20/343810520.db2.gz RMAWCFGSCHOVAQ-LBPRGKRZSA-N 1 3 226.389 1.708 40 0 BDABHO C[C@@H]1C[C@@H](C)CN(C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000216250340 259376694 /nfs/dbraw/zinc/37/66/94/259376694.db2.gz SRGZXIQVTVCGOL-WZRBSPASSA-N 1 3 226.364 1.077 40 0 BDABHO CSc1ccc(CNCCC[NH3+])cc1 ZINC000034174041 350257647 /nfs/dbraw/zinc/25/76/47/350257647.db2.gz LZZFLYYLSYNYHO-UHFFFAOYSA-N 1 3 210.346 1.847 40 0 BDABHO [NH3+]CC1(O)CCN(CCc2ccccc2)CC1 ZINC000006096172 181361625 /nfs/dbraw/zinc/36/16/25/181361625.db2.gz OZWUDZJANOCZLG-UHFFFAOYSA-N 1 3 234.343 1.015 40 0 BDABHO CCOC(=O)CC[NH2+]CCCN(CC)CC ZINC000036667889 170208894 /nfs/dbraw/zinc/20/88/94/170208894.db2.gz URQSJKMHXOCTGI-UHFFFAOYSA-N 1 3 230.352 1.261 40 0 BDABHO OCCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264453 383862605 /nfs/dbraw/zinc/86/26/05/383862605.db2.gz OLMHHSBJCGAUHX-CQSZACIVSA-N 1 3 234.343 1.090 40 0 BDABHO OCCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264453 383862608 /nfs/dbraw/zinc/86/26/08/383862608.db2.gz OLMHHSBJCGAUHX-CQSZACIVSA-N 1 3 234.343 1.090 40 0 BDABHO c1ccc([C@H]2C[C@@H]2NC2CC[NH2+]CC2)cc1 ZINC000044675891 384352554 /nfs/dbraw/zinc/35/25/54/384352554.db2.gz BASFYRLYJAZPPL-KGLIPLIRSA-N 1 3 216.328 1.884 40 0 BDABHO c1ccc([C@H]2C[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000044675891 384352558 /nfs/dbraw/zinc/35/25/58/384352558.db2.gz BASFYRLYJAZPPL-KGLIPLIRSA-N 1 3 216.328 1.884 40 0 BDABHO [NH3+][C@H]1CC[C@@H](N2CCN(CC3CC3)CC2)CC1 ZINC000100468706 384327405 /nfs/dbraw/zinc/32/74/05/384327405.db2.gz LBYALFWGJOLWMN-HDJSIYSDSA-N 1 3 237.391 1.284 40 0 BDABHO CC[C@H]([NH3+])c1cnc(N2CCNCC2)cc1C ZINC000072223583 385113059 /nfs/dbraw/zinc/11/30/59/385113059.db2.gz POEYSSLIKSJDJL-LBPRGKRZSA-N 1 3 234.347 1.209 40 0 BDABHO CN1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216267 385093183 /nfs/dbraw/zinc/09/31/83/385093183.db2.gz UJMFGEGRNLZGBF-CYBMUJFWSA-N 1 3 246.358 1.258 40 0 BDABHO C[C@@H]([NH3+])CN1CCN(C2CCCCC2)CC1 ZINC000096523921 385270597 /nfs/dbraw/zinc/27/05/97/385270597.db2.gz IBJRJHHMBZHDJN-GFCCVEGCSA-N 1 3 225.380 1.284 40 0 BDABHO CN1CCC[C@@H]1c1n[nH]c2c1[C@H]([NH3+])CCC2 ZINC000242750663 388400409 /nfs/dbraw/zinc/40/04/09/388400409.db2.gz ZVFZUUAVIAYGQA-PSASIEDQSA-N 1 3 220.320 1.513 40 0 BDABHO COc1ccc([C@H]2CN(C)C[C@H]2C[NH3+])cc1 ZINC000242498625 388837725 /nfs/dbraw/zinc/83/77/25/388837725.db2.gz HKMUZIJDOFHNOP-DGCLKSJQSA-N 1 3 220.316 1.299 40 0 BDABHO COCCC[N@@H+]1CCCC12CCNCC2 ZINC000096075272 174228422 /nfs/dbraw/zinc/22/84/22/174228422.db2.gz NMRZGFURIZJGML-UHFFFAOYSA-N 1 3 212.337 1.241 40 0 BDABHO COCCC[N@H+]1CCCC12CCNCC2 ZINC000096075272 174228424 /nfs/dbraw/zinc/22/84/24/174228424.db2.gz NMRZGFURIZJGML-UHFFFAOYSA-N 1 3 212.337 1.241 40 0 BDABHO COc1ccc2nccc(NCC[NH3+])c2c1 ZINC000212127268 175229606 /nfs/dbraw/zinc/22/96/06/175229606.db2.gz HMQLULYXVMUTGH-UHFFFAOYSA-N 1 3 217.272 1.614 40 0 BDABHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895813 177266074 /nfs/dbraw/zinc/26/60/74/177266074.db2.gz GLFBPDDMMVIVQJ-AAEUAGOBSA-N 1 3 204.317 1.713 40 0 BDABHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN ZINC000026895813 177266075 /nfs/dbraw/zinc/26/60/75/177266075.db2.gz GLFBPDDMMVIVQJ-AAEUAGOBSA-N 1 3 204.317 1.713 40 0 BDABHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN ZINC000026895813 177266076 /nfs/dbraw/zinc/26/60/76/177266076.db2.gz GLFBPDDMMVIVQJ-AAEUAGOBSA-N 1 3 204.317 1.713 40 0 BDABHO CCCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918823 259372683 /nfs/dbraw/zinc/37/26/83/259372683.db2.gz JXZNNISLWDGZRL-AWEZNQCLSA-N 1 3 239.407 1.404 40 0 BDABHO CCCN1CCN(C[C@H]([NH3+])CCSC)CC1 ZINC000096523863 169203302 /nfs/dbraw/zinc/20/33/02/169203302.db2.gz CEKYCLWLJSWZOC-GFCCVEGCSA-N 1 3 245.436 1.094 40 0 BDABHO CCCOc1cccc(C[NH2+]CCN)c1 ZINC000038038357 169325545 /nfs/dbraw/zinc/32/55/45/169325545.db2.gz FZIRPZJTMNBMDL-UHFFFAOYSA-N 1 3 208.305 1.524 40 0 BDABHO CC(C)C[C@@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190241 383887199 /nfs/dbraw/zinc/88/71/99/383887199.db2.gz GXZYHHKWFGMKAX-CYBMUJFWSA-N 1 3 227.396 1.386 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407265 384136669 /nfs/dbraw/zinc/13/66/69/384136669.db2.gz KEBPBVLTDLEJFZ-TUAOUCFPSA-N 1 3 241.379 1.055 40 0 BDABHO c1ccc([C@@H]2C[C@@H]2NC2CC[NH2+]CC2)cc1 ZINC000044675890 384352649 /nfs/dbraw/zinc/35/26/49/384352649.db2.gz BASFYRLYJAZPPL-KBPBESRZSA-N 1 3 216.328 1.884 40 0 BDABHO c1ccc([C@@H]2C[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000044675890 384352675 /nfs/dbraw/zinc/35/26/75/384352675.db2.gz BASFYRLYJAZPPL-KBPBESRZSA-N 1 3 216.328 1.884 40 0 BDABHO CC[C@H]([NH3+])c1ccc(N2CCNCC2)nc1C ZINC000072224628 385119628 /nfs/dbraw/zinc/11/96/28/385119628.db2.gz RNXWVOVYMGXBOW-LBPRGKRZSA-N 1 3 234.347 1.209 40 0 BDABHO Cn1cccc1CN1CCC(C[NH3+])CC1 ZINC000096523644 385315499 /nfs/dbraw/zinc/31/54/99/385315499.db2.gz IBOCAHWVKAMRJS-UHFFFAOYSA-N 1 3 207.321 1.196 40 0 BDABHO CC(C)[C@H]([NH3+])CCN1CCN(C(C)C)CC1 ZINC000096523818 385267230 /nfs/dbraw/zinc/26/72/30/385267230.db2.gz YIHHDFBTZZWOPI-CYBMUJFWSA-N 1 3 227.396 1.386 40 0 BDABHO CCCCN1CCN(C[C@H]([NH3+])CCC)CC1 ZINC000096523991 387039812 /nfs/dbraw/zinc/03/98/12/387039812.db2.gz NHWPRPOVLFBUEC-CYBMUJFWSA-N 1 3 227.396 1.532 40 0 BDABHO Cc1ccc(N2CCN(CCCC[NH3+])CC2)cc1 ZINC000082553797 132415240 /nfs/dbraw/zinc/41/52/40/132415240.db2.gz NBIYVLQYFOXZON-UHFFFAOYSA-N 1 3 247.386 1.856 40 0 BDABHO CCn1nccc1CN1CCC(C[NH3+])CC1 ZINC000096523641 172267429 /nfs/dbraw/zinc/26/74/29/172267429.db2.gz IFOJIAZMMGXIKT-UHFFFAOYSA-N 1 3 222.336 1.074 40 0 BDABHO Cc1ncc2cc([C@@]3(C)CCC[NH2+]C3)nc(C)n21 ZINC000585261106 344372746 /nfs/dbraw/zinc/37/27/46/344372746.db2.gz OJZKNEAISXNYAK-AWEZNQCLSA-N 1 3 244.342 1.987 40 0 BDABHO Cc1ncc2cc(C3CC[NH2+]CC3)nc(C)n21 ZINC000205690224 348576066 /nfs/dbraw/zinc/57/60/66/348576066.db2.gz CWBFLVIXKIGASI-UHFFFAOYSA-N 1 3 230.315 1.813 40 0 BDABHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)co1 ZINC000306141109 183339331 /nfs/dbraw/zinc/33/93/31/183339331.db2.gz VLMDHZKOOMEMKY-UHFFFAOYSA-N 1 3 220.316 1.855 40 0 BDABHO C[C@H](NCC1CC[NH2+]CC1)c1nccs1 ZINC000070733412 383961632 /nfs/dbraw/zinc/96/16/32/383961632.db2.gz XCTVDPVUAJGJNR-VIFPVBQESA-N 1 3 225.361 1.793 40 0 BDABHO CC(C)N(C(=O)CN)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406995 384138201 /nfs/dbraw/zinc/13/82/01/384138201.db2.gz REBNPYJAAIJZKA-NWDGAFQWSA-N 1 3 241.379 1.055 40 0 BDABHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000218871659 386363630 /nfs/dbraw/zinc/36/36/30/386363630.db2.gz SLQCEYKQQSWTIW-CHWSQXEVSA-N 1 3 204.317 1.964 40 0 BDABHO CCOC(=O)CCNCC(C)(C)C[NH+](C)C ZINC000036667548 170209680 /nfs/dbraw/zinc/20/96/80/170209680.db2.gz PLRDJDPNRPVMMU-UHFFFAOYSA-N 1 3 230.352 1.117 40 0 BDABHO C[NH2+]C[C@@H]1C[C@H]1CN1Cc2ccccc2C1 ZINC000096509363 173372457 /nfs/dbraw/zinc/37/24/57/173372457.db2.gz CHBIEADHJMWUNG-KBPBESRZSA-N 1 3 216.328 1.858 40 0 BDABHO CC[NH+](CC)CCCNC[C@@H](C)C(=O)OC ZINC000035133630 343286345 /nfs/dbraw/zinc/28/63/45/343286345.db2.gz BVRODSRQGJBALS-LLVKDONJSA-N 1 3 230.352 1.117 40 0 BDABHO CCN(CC)CCC[NH2+]C[C@@H](C)C(=O)OC ZINC000035133630 343286347 /nfs/dbraw/zinc/28/63/47/343286347.db2.gz BVRODSRQGJBALS-LLVKDONJSA-N 1 3 230.352 1.117 40 0 BDABHO CC(C)CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055079590 369125123 /nfs/dbraw/zinc/12/51/23/369125123.db2.gz XQKLOHLFZXGFHG-CQSZACIVSA-N 1 3 239.407 1.260 40 0 BDABHO CN(CC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000054417030 383843097 /nfs/dbraw/zinc/84/30/97/383843097.db2.gz WWURKPADSHUWHP-AWEZNQCLSA-N 1 3 233.359 1.151 40 0 BDABHO CN(Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414464 384137658 /nfs/dbraw/zinc/13/76/58/384137658.db2.gz BXEJCZSUHCDQCG-AWEZNQCLSA-N 1 3 233.359 1.151 40 0 BDABHO CC(C)[C@H]([NH3+])CCN(C)CCc1ccncc1 ZINC000096523802 385267389 /nfs/dbraw/zinc/26/73/89/385267389.db2.gz SJQAOXUODUHFOW-CQSZACIVSA-N 1 3 235.375 1.929 40 0 BDABHO CCN(CCCC[NH3+])Cc1cnn(CC)c1 ZINC000096523772 385269015 /nfs/dbraw/zinc/26/90/15/385269015.db2.gz ONOPYPVYNWLEFZ-UHFFFAOYSA-N 1 3 224.352 1.464 40 0 BDABHO C1CCC(N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC000096531556 385283290 /nfs/dbraw/zinc/28/32/90/385283290.db2.gz QSVNKQSBOUJIIR-UHFFFAOYSA-N 1 3 224.348 1.383 40 0 BDABHO CCCCN1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000096524008 387040073 /nfs/dbraw/zinc/04/00/73/387040073.db2.gz HRLYLANALXBHPU-CQSZACIVSA-N 1 3 239.407 1.546 40 0 BDABHO [NH3+]CCCCCN1CCN(c2ccccn2)CC1 ZINC000037039536 132343386 /nfs/dbraw/zinc/34/33/86/132343386.db2.gz ZYONFKSLUZUVIO-UHFFFAOYSA-N 1 3 248.374 1.333 40 0 BDABHO CCn1ncc(CN(C)CCCCC[NH3+])c1C ZINC000096523837 172255102 /nfs/dbraw/zinc/25/51/02/172255102.db2.gz IKNBTONUUOQQOR-UHFFFAOYSA-N 1 3 238.379 1.772 40 0 BDABHO CN(C)CCN(CCC[NH3+])Cc1ccccc1 ZINC000096523791 172454831 /nfs/dbraw/zinc/45/48/31/172454831.db2.gz KPCNNOKUIQMAKN-UHFFFAOYSA-N 1 3 235.375 1.399 40 0 BDABHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055341 176306477 /nfs/dbraw/zinc/30/64/77/176306477.db2.gz VTJULCNKQLRXFZ-PWSUYJOCSA-N 1 3 217.316 1.690 40 0 BDABHO CC[NH+](CC)[C@@H](c1ccccc1)[C@H](CN)CO ZINC000072210338 259316679 /nfs/dbraw/zinc/31/66/79/259316679.db2.gz FYOOYRIPBTWIDE-KGLIPLIRSA-N 1 3 236.359 1.637 40 0 BDABHO CCN(CC)[C@@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210338 259316681 /nfs/dbraw/zinc/31/66/81/259316681.db2.gz FYOOYRIPBTWIDE-KGLIPLIRSA-N 1 3 236.359 1.637 40 0 BDABHO CC[NH+](CC)CC[C@H](CN(C)C)C(C)=O ZINC000001717663 342710949 /nfs/dbraw/zinc/71/09/49/342710949.db2.gz DBLBQOUFFYCZBL-GFCCVEGCSA-N 1 3 214.353 1.485 40 0 BDABHO N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218855083 398328833 /nfs/dbraw/zinc/32/88/33/398328833.db2.gz BVKHEYIEIBVHII-NWDGAFQWSA-N 1 3 248.326 1.775 40 0 BDABHO CCN(CC)CC[NH2+][C@H]1CCCC[C@H]1N ZINC000218856318 398328875 /nfs/dbraw/zinc/32/88/75/398328875.db2.gz JMXCNWJXZWQWGU-NEPJUHHUSA-N 1 3 213.369 1.188 40 0 BDABHO [NH3+]CC1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000044512212 181365409 /nfs/dbraw/zinc/36/54/09/181365409.db2.gz RQGVRRHKOHENRE-UHFFFAOYSA-N 1 3 248.326 1.586 40 0 BDABHO CCCN1CCN(C[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000020073785 169202347 /nfs/dbraw/zinc/20/23/47/169202347.db2.gz RBCWTVMIYMMQII-QWHCGFSZSA-N 1 3 227.396 1.387 40 0 BDABHO CN(CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054417037 383841105 /nfs/dbraw/zinc/84/11/05/383841105.db2.gz MZQKEWUMXPKZHI-OAHLLOKOSA-N 1 3 247.386 1.542 40 0 BDABHO CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000079419441 384141565 /nfs/dbraw/zinc/14/15/65/384141565.db2.gz KAQCAABGQLDDHF-NWDGAFQWSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)N ZINC000079419441 384141571 /nfs/dbraw/zinc/14/15/71/384141571.db2.gz KAQCAABGQLDDHF-NWDGAFQWSA-N 1 3 241.379 1.055 40 0 BDABHO CN1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591702 384195421 /nfs/dbraw/zinc/19/54/21/384195421.db2.gz IOOZHVUUMQVJIO-CYBMUJFWSA-N 1 3 225.380 1.014 40 0 BDABHO Cc1ccc([C@H]2CN(C)C[C@@H]2C[NH3+])cc1 ZINC000082929027 384605132 /nfs/dbraw/zinc/60/51/32/384605132.db2.gz UTTGTIYNDWGBEC-QWHCGFSZSA-N 1 3 204.317 1.599 40 0 BDABHO CC[C@@H]([NH3+])c1cnc(N2CCNCC2)c(C)c1 ZINC000072222542 385109316 /nfs/dbraw/zinc/10/93/16/385109316.db2.gz GSNDNEGNUUQFKB-GFCCVEGCSA-N 1 3 234.347 1.209 40 0 BDABHO CCCCN1CCN(C[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000096523968 385272441 /nfs/dbraw/zinc/27/24/41/385272441.db2.gz PKZJXTQSBPXKCW-UONOGXRCSA-N 1 3 241.423 1.778 40 0 BDABHO CN1CCSCC[NH+](C)CCSCC1 ZINC000068604746 173109767 /nfs/dbraw/zinc/10/97/67/173109767.db2.gz WRBSEYSASLSSRW-UHFFFAOYSA-N 1 3 234.434 1.330 40 0 BDABHO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000218872137 175112091 /nfs/dbraw/zinc/11/20/91/175112091.db2.gz QSSMZORTYZYQMX-STQMWFEESA-N 1 3 220.316 1.665 40 0 BDABHO C[C@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)C ZINC000013804880 177239363 /nfs/dbraw/zinc/23/93/63/177239363.db2.gz ZFMHJCHHDNGZAM-AVGNSLFASA-N 1 3 227.396 1.256 40 0 BDABHO CC(C)N(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247953433 519554814 /nfs/dbraw/zinc/55/48/14/519554814.db2.gz CNKYAUDRFAQNBC-HAQNSBGRSA-N 1 3 241.379 1.055 40 0 BDABHO N[C@@H]1CC[C@H]([NH3+])c2cc(Br)cnc21 ZINC000575624314 398280925 /nfs/dbraw/zinc/28/09/25/398280925.db2.gz ZQLIGHCJOSFUBS-JGVFFNPUSA-N 1 3 242.120 1.638 40 0 BDABHO Cc1ncc2cc(C)nc([C@@H]3CCC[NH2+]C3)n21 ZINC000585261108 344372911 /nfs/dbraw/zinc/37/29/11/344372911.db2.gz SELAIUUHCANWSW-LLVKDONJSA-N 1 3 230.315 1.813 40 0 BDABHO Cc1nn(C)c(C)c1CN(C)CCCCC[NH3+] ZINC000096523840 180335718 /nfs/dbraw/zinc/33/57/18/180335718.db2.gz RQFWNYHZBRRVDI-UHFFFAOYSA-N 1 3 238.379 1.598 40 0 BDABHO NC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000096029495 181332520 /nfs/dbraw/zinc/33/25/20/181332520.db2.gz GUCKMZPWPKQVQW-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO [NH3+]C1(Cc2cccc(F)c2)CCNCC1 ZINC000096029495 181332523 /nfs/dbraw/zinc/33/25/23/181332523.db2.gz GUCKMZPWPKQVQW-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO c1ccc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088300997 183393575 /nfs/dbraw/zinc/39/35/75/183393575.db2.gz PBYNZHYSVIFBBA-OKILXGFUSA-N 1 3 216.328 1.380 40 0 BDABHO CCN(CC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393573 384133716 /nfs/dbraw/zinc/13/37/16/384133716.db2.gz NXPHMJZNKNRPJY-OAHLLOKOSA-N 1 3 247.386 1.542 40 0 BDABHO CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079419462 384143931 /nfs/dbraw/zinc/14/39/31/384143931.db2.gz SJWCBRSIHPELSO-QJPTWQEYSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079419462 384143934 /nfs/dbraw/zinc/14/39/34/384143934.db2.gz SJWCBRSIHPELSO-QJPTWQEYSA-N 1 3 241.379 1.101 40 0 BDABHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000218871524 386365690 /nfs/dbraw/zinc/36/56/90/386365690.db2.gz SLQCEYKQQSWTIW-QWHCGFSZSA-N 1 3 204.317 1.964 40 0 BDABHO CCN1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486467 388653325 /nfs/dbraw/zinc/65/33/25/388653325.db2.gz KKBBBUBRGOOPKF-KOLCDFICSA-N 1 3 234.347 1.903 40 0 BDABHO CN1CCC([N@@H+]2CCN[C@H]3CCCC[C@@H]32)CC1 ZINC000225713726 388840209 /nfs/dbraw/zinc/84/02/09/388840209.db2.gz WEDOSQOFDUQFFJ-KBPBESRZSA-N 1 3 237.391 1.297 40 0 BDABHO CN1CCC([N@H+]2CCN[C@H]3CCCC[C@@H]32)CC1 ZINC000225713726 388840212 /nfs/dbraw/zinc/84/02/12/388840212.db2.gz WEDOSQOFDUQFFJ-KBPBESRZSA-N 1 3 237.391 1.297 40 0 BDABHO CCOc1ccc(CNCCC[NH3+])cc1 ZINC000037713082 323108049 /nfs/dbraw/zinc/10/80/49/323108049.db2.gz RWRFXAFWSRXJRV-UHFFFAOYSA-N 1 3 208.305 1.524 40 0 BDABHO NC[C@@H](CO)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210325 259316396 /nfs/dbraw/zinc/31/63/96/259316396.db2.gz GIZJALXYCUENPH-UONOGXRCSA-N 1 3 234.343 1.391 40 0 BDABHO [NH3+]C[C@@H](CO)[C@@H](c1ccccc1)N1CCCC1 ZINC000072210325 259316398 /nfs/dbraw/zinc/31/63/98/259316398.db2.gz GIZJALXYCUENPH-UONOGXRCSA-N 1 3 234.343 1.391 40 0 BDABHO Cc1cc(N2CCN(C(C)C)CC2)ncc1C[NH3+] ZINC000072223701 259321574 /nfs/dbraw/zinc/32/15/74/259321574.db2.gz PPDPDVBCNFNDMN-UHFFFAOYSA-N 1 3 248.374 1.379 40 0 BDABHO C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C)C1 ZINC000252486989 259326376 /nfs/dbraw/zinc/32/63/76/259326376.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 1 3 226.364 1.173 40 0 BDABHO C[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCCN2C)C1 ZINC000252486989 259326377 /nfs/dbraw/zinc/32/63/77/259326377.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 1 3 226.364 1.173 40 0 BDABHO CCN(CC)CCNCCC[NH+](CC)CC ZINC000019364755 342946964 /nfs/dbraw/zinc/94/69/64/342946964.db2.gz DWNXRNUXWPHOBJ-UHFFFAOYSA-N 1 3 229.412 1.650 40 0 BDABHO Cc1cc(N2CC([NH3+])C2)c2ccccc2n1 ZINC000082593111 345458893 /nfs/dbraw/zinc/45/88/93/345458893.db2.gz RHINVHILZJJAGH-UHFFFAOYSA-N 1 3 213.284 1.691 40 0 BDABHO C[C@H]1C[C@H](C)CN(C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950434 347980167 /nfs/dbraw/zinc/98/01/67/347980167.db2.gz SRGZXIQVTVCGOL-GMXVVIOVSA-N 1 3 226.364 1.077 40 0 BDABHO CC(C)N(C(=O)CN)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407004 384135775 /nfs/dbraw/zinc/13/57/75/384135775.db2.gz REBNPYJAAIJZKA-NEPJUHHUSA-N 1 3 241.379 1.055 40 0 BDABHO CC[C@@H]1CCCCN1Cc1c(C[NH3+])cnn1C ZINC000408716245 384700664 /nfs/dbraw/zinc/70/06/64/384700664.db2.gz KHYKSSPGOLJLJE-GFCCVEGCSA-N 1 3 236.363 1.643 40 0 BDABHO Cn1ncc(C[NH3+])c1CN1CCCCCC1 ZINC000408716803 384703998 /nfs/dbraw/zinc/70/39/98/384703998.db2.gz RAQWGULSDPLCOZ-UHFFFAOYSA-N 1 3 222.336 1.255 40 0 BDABHO Cc1noc(C)c1CCN(C)CCCCC[NH3+] ZINC000096523834 385268938 /nfs/dbraw/zinc/26/89/38/385268938.db2.gz DQQSEPFWQDGFLD-UHFFFAOYSA-N 1 3 239.363 1.895 40 0 BDABHO CSCC[C@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000096523871 385272655 /nfs/dbraw/zinc/27/26/55/385272655.db2.gz NGSZGHRWNUMZGU-LBPRGKRZSA-N 1 3 245.436 1.093 40 0 BDABHO CNCc1ccc(CSCC[NH3+])o1 ZINC000059380076 386397101 /nfs/dbraw/zinc/39/71/01/386397101.db2.gz JRQYKULIUYUIQS-UHFFFAOYSA-N 1 3 200.307 1.191 40 0 in-vitro BDABHO COc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218873219 175092888 /nfs/dbraw/zinc/09/28/88/175092888.db2.gz DBCVSLJONOHOAC-KBPBESRZSA-N 1 3 234.343 1.707 40 0 BDABHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000101711994 488126545 /nfs/dbraw/zinc/12/65/45/488126545.db2.gz VTJULCNKQLRXFZ-CMPLNLGQSA-N 1 3 217.316 1.690 40 0 BDABHO CCCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918825 259372330 /nfs/dbraw/zinc/37/23/30/259372330.db2.gz JXZNNISLWDGZRL-CQSZACIVSA-N 1 3 239.407 1.404 40 0 BDABHO Cc1ncc2cc([C@]3(C)CCC[NH2+]C3)nc(C)n21 ZINC000585261107 344372826 /nfs/dbraw/zinc/37/28/26/344372826.db2.gz OJZKNEAISXNYAK-CQSZACIVSA-N 1 3 244.342 1.987 40 0 BDABHO [NH3+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC000089157527 181332852 /nfs/dbraw/zinc/33/28/52/181332852.db2.gz ZQRFEADBVBFOPB-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO NC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000089157527 181332853 /nfs/dbraw/zinc/33/28/53/181332853.db2.gz ZQRFEADBVBFOPB-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO CC(C)N1CCN(c2ccc([C@@H](C)[NH3+])cn2)CC1 ZINC000072225616 259534042 /nfs/dbraw/zinc/53/40/42/259534042.db2.gz PTNMOBFGCYRMOZ-GFCCVEGCSA-N 1 3 248.374 1.632 40 0 BDABHO [NH3+]C[C@@H]1C[C@@H]1CN1Cc2ccccc2C1 ZINC000096509452 181438883 /nfs/dbraw/zinc/43/88/83/181438883.db2.gz PGUYUNZVZQMLLJ-QWHCGFSZSA-N 1 3 202.301 1.597 40 0 BDABHO CCN(CC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393575 384133287 /nfs/dbraw/zinc/13/32/87/384133287.db2.gz NXPHMJZNKNRPJY-HNNXBMFYSA-N 1 3 247.386 1.542 40 0 BDABHO CC[C@H]1CCCCN1Cc1c(C[NH3+])cnn1C ZINC000408716246 384701764 /nfs/dbraw/zinc/70/17/64/384701764.db2.gz KHYKSSPGOLJLJE-LBPRGKRZSA-N 1 3 236.363 1.643 40 0 BDABHO Cc1ccc2nccc(NCC[NH3+])c2c1 ZINC000107190645 384956098 /nfs/dbraw/zinc/95/60/98/384956098.db2.gz LXUXMEQYOWAXFB-UHFFFAOYSA-N 1 3 201.273 1.914 40 0 BDABHO c1cc(N2CCNCC2)ncc1C1=[NH+]CCC1 ZINC000072216263 385093635 /nfs/dbraw/zinc/09/36/35/385093635.db2.gz SCWIVXYAONSZAL-UHFFFAOYSA-N 1 3 230.315 1.074 40 0 BDABHO CCCCN1CCN(C[C@@H]([NH3+])CCC)CC1 ZINC000096523992 385270725 /nfs/dbraw/zinc/27/07/25/385270725.db2.gz NHWPRPOVLFBUEC-ZDUSSCGKSA-N 1 3 227.396 1.532 40 0 BDABHO C[C@@H]1C[C@H](C)CN(C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950433 385591541 /nfs/dbraw/zinc/59/15/41/385591541.db2.gz SRGZXIQVTVCGOL-NTZNESFSSA-N 1 3 226.364 1.077 40 0 BDABHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873567 386427337 /nfs/dbraw/zinc/42/73/37/386427337.db2.gz FBZYASFAIZMFDP-VXGBXAGGSA-N 1 3 208.280 1.795 40 0 BDABHO CN1CCC[C@H]1c1n[nH]c2c1[C@H]([NH3+])CCC2 ZINC000242750665 388400885 /nfs/dbraw/zinc/40/08/85/388400885.db2.gz ZVFZUUAVIAYGQA-SCZZXKLOSA-N 1 3 220.320 1.513 40 0 BDABHO CCN1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043601164 388612205 /nfs/dbraw/zinc/61/22/05/388612205.db2.gz QHAFTBYARMJUPG-CQSZACIVSA-N 1 3 239.407 1.404 40 0 BDABHO COc1ccccc1CN1CCC(C[NH3+])CC1 ZINC000011889013 175326386 /nfs/dbraw/zinc/32/63/86/175326386.db2.gz MVYZSUHEKZXIRB-UHFFFAOYSA-N 1 3 234.343 1.866 40 0 BDABHO C[C@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)C ZINC000102761562 177239173 /nfs/dbraw/zinc/23/91/73/177239173.db2.gz ZFMHJCHHDNGZAM-RWMBFGLXSA-N 1 3 227.396 1.256 40 0 BDABHO CC[C@H](C)[C@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083661 259374127 /nfs/dbraw/zinc/37/41/27/259374127.db2.gz VAHUKHUVWIYUCA-UONOGXRCSA-N 1 3 241.423 1.633 40 0 BDABHO C1CNCC[NH2+]CCSCCCSC1 ZINC000068604721 188129135 /nfs/dbraw/zinc/12/91/35/188129135.db2.gz OLBGAVSLCWFXMA-UHFFFAOYSA-N 1 3 234.434 1.426 40 0 BDABHO CN(C[C@H]1CCCC[NH2+]1)C1CCN(C)CC1 ZINC000019439100 355334298 /nfs/dbraw/zinc/33/42/98/355334298.db2.gz KOQVTDASENOHDO-GFCCVEGCSA-N 1 3 225.380 1.155 40 0 BDABHO CCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918912 358100545 /nfs/dbraw/zinc/10/05/45/358100545.db2.gz SVNWUWKSUKFMLK-ZDUSSCGKSA-N 1 3 225.380 1.014 40 0 BDABHO CC[C@@H](C)[C@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190176 259520319 /nfs/dbraw/zinc/52/03/19/259520319.db2.gz DDZMFNXEGLFZQJ-CHWSQXEVSA-N 1 3 227.396 1.386 40 0 BDABHO [NH3+]C1(c2ccc(Cl)cc2)CCNCC1 ZINC000098213732 181333999 /nfs/dbraw/zinc/33/39/99/181333999.db2.gz DHUSTCBNCLAOJB-UHFFFAOYSA-N 1 3 210.708 1.877 40 0 BDABHO [NH3+]C1CCC(N2CCN(CC3CC3)CC2)CC1 ZINC000035874766 181341434 /nfs/dbraw/zinc/34/14/34/181341434.db2.gz LBYALFWGJOLWMN-UHFFFAOYSA-N 1 3 237.391 1.284 40 0 BDABHO [NH3+]CCO[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079390675 181399336 /nfs/dbraw/zinc/39/93/36/181399336.db2.gz WDWMGBAELVWZKR-AWEZNQCLSA-N 1 3 234.343 1.626 40 0 BDABHO C[n+]1ccccc1C1=[N+]([O-])c2ccccc2C1=O ZINC000003845023 384028178 /nfs/dbraw/zinc/02/81/78/384028178.db2.gz HBLWZYLLTPADAQ-UHFFFAOYSA-N 1 3 239.254 1.339 40 0 BDABHO C[n+]1ccccc1C1=C([O-])c2ccccc2[N+]1=O ZINC000003845023 384028188 /nfs/dbraw/zinc/02/81/88/384028188.db2.gz HBLWZYLLTPADAQ-UHFFFAOYSA-N 1 3 239.254 1.339 40 0 BDABHO CC(C)N(C(=O)CN)C1CCC([NH+](C)C)CC1 ZINC000079406991 384136112 /nfs/dbraw/zinc/13/61/12/384136112.db2.gz CNKYAUDRFAQNBC-UHFFFAOYSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)N(C(=O)CN)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407000 384136767 /nfs/dbraw/zinc/13/67/67/384136767.db2.gz REBNPYJAAIJZKA-RYUDHWBXSA-N 1 3 241.379 1.055 40 0 BDABHO N[C@@H]1C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000216407572 385056222 /nfs/dbraw/zinc/05/62/22/385056222.db2.gz HRHOQWHMSDKGIB-ZIAGYGMSSA-N 1 3 216.328 2.000 40 0 BDABHO N[C@@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216407572 385056227 /nfs/dbraw/zinc/05/62/27/385056227.db2.gz HRHOQWHMSDKGIB-ZIAGYGMSSA-N 1 3 216.328 2.000 40 0 BDABHO CCCCN1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523823 385267025 /nfs/dbraw/zinc/26/70/25/385267025.db2.gz BZVAWLABGDCPDD-CQSZACIVSA-N 1 3 241.423 1.778 40 0 BDABHO Cc1noc(C)c1CCN1CCC(C[NH3+])CC1 ZINC000096523636 385269651 /nfs/dbraw/zinc/26/96/51/385269651.db2.gz PEZONNXQJQVHAQ-UHFFFAOYSA-N 1 3 237.347 1.505 40 0 BDABHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccccc1 ZINC000218870548 386351505 /nfs/dbraw/zinc/35/15/05/386351505.db2.gz PKAFNOZHKZAREC-STQMWFEESA-N 1 3 204.317 1.699 40 0 BDABHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000218871593 386364692 /nfs/dbraw/zinc/36/46/92/386364692.db2.gz SLQCEYKQQSWTIW-STQMWFEESA-N 1 3 204.317 1.964 40 0 BDABHO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000218871705 386364797 /nfs/dbraw/zinc/36/47/97/386364797.db2.gz SLQCEYKQQSWTIW-OLZOCXBDSA-N 1 3 204.317 1.964 40 0 BDABHO CN1CCCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000020217784 388590889 /nfs/dbraw/zinc/59/08/89/388590889.db2.gz OVAIXYYSKZKZNO-HNNXBMFYSA-N 1 3 247.386 1.194 40 0 BDABHO CN1C[C@@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607229 388838894 /nfs/dbraw/zinc/83/88/94/388838894.db2.gz VFJQQDKNVMXPLG-ZYHUDNBSSA-N 1 3 208.280 1.430 40 0 BDABHO CCCCN1CCN(CCCCC[NH3+])CC1 ZINC000037049292 397968670 /nfs/dbraw/zinc/96/86/70/397968670.db2.gz WATXRGZRDXVOFC-UHFFFAOYSA-N 1 3 227.396 1.533 40 0 BDABHO [NH3+][C@H]1CC[C@@H](NCc2ccccn2)CC1 ZINC000238689448 398114173 /nfs/dbraw/zinc/11/41/73/398114173.db2.gz REYVYFAQYPZIPF-XYPYZODXSA-N 1 3 205.305 1.441 40 0 BDABHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CNCC[C@@H]21 ZINC000306129264 167035944 /nfs/dbraw/zinc/03/59/44/167035944.db2.gz HYYRVRYJCPRSEQ-RDBSUJKOSA-N 1 3 248.374 1.344 40 0 BDABHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CNCC[C@@H]21 ZINC000306129264 167035945 /nfs/dbraw/zinc/03/59/45/167035945.db2.gz HYYRVRYJCPRSEQ-RDBSUJKOSA-N 1 3 248.374 1.344 40 0 BDABHO CC(C)N1[C@H](Cn2cccn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306129264 167035948 /nfs/dbraw/zinc/03/59/48/167035948.db2.gz HYYRVRYJCPRSEQ-RDBSUJKOSA-N 1 3 248.374 1.344 40 0 BDABHO CC1CCC(O)(CN2CCC([NH3+])CC2)CC1 ZINC000096511432 168167464 /nfs/dbraw/zinc/16/74/64/168167464.db2.gz MFDKOXPQOIJQGD-UHFFFAOYSA-N 1 3 226.364 1.351 40 0 BDABHO CCn1cc(CN(C)CCCC[NH3+])c(C)n1 ZINC000096523776 172160685 /nfs/dbraw/zinc/16/06/85/172160685.db2.gz LIPAHDLUADJXPD-UHFFFAOYSA-N 1 3 224.352 1.382 40 0 BDABHO COc1ccc(CCC[N@@H+]2CC[C@@H](N)C2)cc1 ZINC000096523486 175089357 /nfs/dbraw/zinc/08/93/57/175089357.db2.gz LOPALQJPUHTKSZ-CYBMUJFWSA-N 1 3 234.343 1.661 40 0 BDABHO COc1ccc(CCC[N@H+]2CC[C@@H](N)C2)cc1 ZINC000096523486 175089358 /nfs/dbraw/zinc/08/93/58/175089358.db2.gz LOPALQJPUHTKSZ-CYBMUJFWSA-N 1 3 234.343 1.661 40 0 BDABHO CC[NH+](CC)[C@H](c1ccccc1)[C@@H](CN)CO ZINC000072210337 259316750 /nfs/dbraw/zinc/31/67/50/259316750.db2.gz FYOOYRIPBTWIDE-UONOGXRCSA-N 1 3 236.359 1.637 40 0 BDABHO CCN(CC)[C@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210337 259316752 /nfs/dbraw/zinc/31/67/52/259316752.db2.gz FYOOYRIPBTWIDE-UONOGXRCSA-N 1 3 236.359 1.637 40 0 BDABHO CCN1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495886 259326123 /nfs/dbraw/zinc/32/61/23/259326123.db2.gz GROOQHFRWPFWFN-KBPBESRZSA-N 1 3 218.344 1.898 40 0 BDABHO C[C@@H](CNCCC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219092 343559765 /nfs/dbraw/zinc/55/97/65/343559765.db2.gz NAZHXTMMFSTLLN-NSHDSACASA-N 1 3 244.379 1.506 40 0 BDABHO NC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC000096029437 181331913 /nfs/dbraw/zinc/33/19/13/181331913.db2.gz JPEPLGSCVUZHQT-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO [NH3+]C1(Cc2ccccc2F)CCNCC1 ZINC000096029437 181331914 /nfs/dbraw/zinc/33/19/14/181331914.db2.gz JPEPLGSCVUZHQT-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO CN(C)C[C@H]1CCCC[C@H](C[NH+](C)C)C1=O ZINC000001717418 383928403 /nfs/dbraw/zinc/92/84/03/383928403.db2.gz QDDPJRXRDUAAMR-VXGBXAGGSA-N 1 3 226.364 1.485 40 0 BDABHO CN(Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414457 384136809 /nfs/dbraw/zinc/13/68/09/384136809.db2.gz BXEJCZSUHCDQCG-CQSZACIVSA-N 1 3 233.359 1.151 40 0 BDABHO CN(Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414494 384138088 /nfs/dbraw/zinc/13/80/88/384138088.db2.gz VPGCATPJUSKIPV-OAHLLOKOSA-N 1 3 247.386 1.542 40 0 BDABHO CN(Cc1ccccc1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079414110 384137602 /nfs/dbraw/zinc/13/76/02/384137602.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 1 3 248.370 1.433 40 0 BDABHO CN(Cc1ccccc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414110 384137608 /nfs/dbraw/zinc/13/76/08/384137608.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 1 3 248.370 1.433 40 0 BDABHO CC(C)[N@H+](C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079419453 384143584 /nfs/dbraw/zinc/14/35/84/384143584.db2.gz NNXHCQLIIHFSJI-UNXYVOJBSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079419453 384143591 /nfs/dbraw/zinc/14/35/91/384143591.db2.gz NNXHCQLIIHFSJI-UNXYVOJBSA-N 1 3 241.379 1.101 40 0 BDABHO c1cnc(N2CCNCC2)c(C2=[NH+]CCC2)c1 ZINC000072216323 385092486 /nfs/dbraw/zinc/09/24/86/385092486.db2.gz FBDCZBVXPNVJPF-UHFFFAOYSA-N 1 3 230.315 1.074 40 0 BDABHO CN1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216327 385095199 /nfs/dbraw/zinc/09/51/99/385095199.db2.gz UHUYXOXQPORYMN-CYBMUJFWSA-N 1 3 246.358 1.258 40 0 BDABHO CN1CCC[C@@H]1c1n[nH]c2c1[C@@H]([NH3+])CCC2 ZINC000096515793 173037353 /nfs/dbraw/zinc/03/73/53/173037353.db2.gz ZVFZUUAVIAYGQA-WCBMZHEXSA-N 1 3 220.320 1.513 40 0 BDABHO COc1cccc(C2([NH3+])CCNCC2)c1 ZINC000096029464 175248083 /nfs/dbraw/zinc/24/80/83/175248083.db2.gz BOEZMQUINHFINF-UHFFFAOYSA-N 1 3 206.289 1.233 40 0 BDABHO Cc1nc(N2CCN(C(C)C)CC2)ccc1C[NH3+] ZINC000072224746 259322222 /nfs/dbraw/zinc/32/22/22/259322222.db2.gz VZQGVFQNPWFSAL-UHFFFAOYSA-N 1 3 248.374 1.379 40 0 BDABHO CC[NH+](CC)[C@@H](c1ccccc1)[C@@H](CN)CO ZINC000072210336 344511851 /nfs/dbraw/zinc/51/18/51/344511851.db2.gz FYOOYRIPBTWIDE-KBPBESRZSA-N 1 3 236.359 1.637 40 0 BDABHO CCN(CC)[C@@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210336 344511853 /nfs/dbraw/zinc/51/18/53/344511853.db2.gz FYOOYRIPBTWIDE-KBPBESRZSA-N 1 3 236.359 1.637 40 0 BDABHO [NH3+]CCC1CCN(Cc2ccco2)CC1 ZINC000015424001 347113125 /nfs/dbraw/zinc/11/31/25/347113125.db2.gz UMXKWUCCUVFOOK-UHFFFAOYSA-N 1 3 208.305 1.840 40 0 BDABHO [NH3+]CC1CCN(Cc2ccccn2)CC1 ZINC000019843461 181365562 /nfs/dbraw/zinc/36/55/62/181365562.db2.gz PLOUDBPWEYNUIA-UHFFFAOYSA-N 1 3 205.305 1.252 40 0 BDABHO [NH3+]CC1CCN(Cc2cc(C3CC3)[nH]n2)CC1 ZINC000096523637 181365257 /nfs/dbraw/zinc/36/52/57/181365257.db2.gz CBZSHBLDOZRPEZ-UHFFFAOYSA-N 1 3 234.347 1.458 40 0 BDABHO [NH3+]CCCNc1ccnc2ccccc21 ZINC000019721387 181382913 /nfs/dbraw/zinc/38/29/13/181382913.db2.gz CYDKFQOINLSDGY-UHFFFAOYSA-N 1 3 201.273 1.996 40 0 BDABHO CCCCN1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000096523762 168830021 /nfs/dbraw/zinc/83/00/21/168830021.db2.gz CFXROVACEFESGV-AWEZNQCLSA-N 1 3 241.423 1.778 40 0 BDABHO CN(C)C[C@@H]1CCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593639 384016811 /nfs/dbraw/zinc/01/68/11/384016811.db2.gz QDDPJRXRDUAAMR-RYUDHWBXSA-N 1 3 226.364 1.485 40 0 BDABHO CC[C@H]([NH3+])c1cnc(N2CCNCC2)c(C)c1 ZINC000072222541 385109737 /nfs/dbraw/zinc/10/97/37/385109737.db2.gz GSNDNEGNUUQFKB-LBPRGKRZSA-N 1 3 234.347 1.209 40 0 BDABHO CC[C@@H]([NH3+])c1ccc(N2CCNCC2)nc1C ZINC000072224629 385117975 /nfs/dbraw/zinc/11/79/75/385117975.db2.gz RNXWVOVYMGXBOW-GFCCVEGCSA-N 1 3 234.347 1.209 40 0 BDABHO Cc1ccc(CN2CCC(C[NH3+])CC2)cn1 ZINC000096523642 385267925 /nfs/dbraw/zinc/26/79/25/385267925.db2.gz FPBUABMSWMVKMH-UHFFFAOYSA-N 1 3 219.332 1.561 40 0 BDABHO CCCCN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000096523718 385268144 /nfs/dbraw/zinc/26/81/44/385268144.db2.gz FAMXRDNEJGUJIV-UHFFFAOYSA-N 1 3 239.407 1.404 40 0 BDABHO Cc1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000040175308 132346902 /nfs/dbraw/zinc/34/69/02/132346902.db2.gz AIAOFXSCMJXDLF-UHFFFAOYSA-N 1 3 227.311 1.953 40 0 BDABHO C[NH2+]C[C@@H]1C[C@@H]1CN1Cc2ccccc2C1 ZINC000096509361 173371804 /nfs/dbraw/zinc/37/18/04/173371804.db2.gz CHBIEADHJMWUNG-UONOGXRCSA-N 1 3 216.328 1.858 40 0 BDABHO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000218872084 175109929 /nfs/dbraw/zinc/10/99/29/175109929.db2.gz QSSMZORTYZYQMX-QWHCGFSZSA-N 1 3 220.316 1.665 40 0 BDABHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055342 177266193 /nfs/dbraw/zinc/26/61/93/177266193.db2.gz VTJULCNKQLRXFZ-JQWIXIFHSA-N 1 3 217.316 1.690 40 0 BDABHO NC[C@@H](CO)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210328 259316646 /nfs/dbraw/zinc/31/66/46/259316646.db2.gz KGTXLTAWHMNUME-GJZGRUSLSA-N 1 3 248.370 1.781 40 0 BDABHO [NH3+]C[C@@H](CO)[C@H](c1ccccc1)N1CCCCC1 ZINC000072210328 259316647 /nfs/dbraw/zinc/31/66/47/259316647.db2.gz KGTXLTAWHMNUME-GJZGRUSLSA-N 1 3 248.370 1.781 40 0 BDABHO CCN1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495889 259325984 /nfs/dbraw/zinc/32/59/84/259325984.db2.gz GROOQHFRWPFWFN-ZIAGYGMSSA-N 1 3 218.344 1.898 40 0 BDABHO C[NH+](C)CCCNCCC(=O)OC(C)(C)C ZINC000047218976 343559102 /nfs/dbraw/zinc/55/91/02/343559102.db2.gz ZKRCBBNCPZPAKW-UHFFFAOYSA-N 1 3 230.352 1.260 40 0 BDABHO C[C@H](CNCCC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219093 343559658 /nfs/dbraw/zinc/55/96/58/343559658.db2.gz NAZHXTMMFSTLLN-LLVKDONJSA-N 1 3 244.379 1.506 40 0 BDABHO [NH3+]CC1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000096523632 181365776 /nfs/dbraw/zinc/36/57/76/181365776.db2.gz JFNDKIRBXSZXJL-UHFFFAOYSA-N 1 3 244.342 1.734 40 0 BDABHO [NH3+]CC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000096523632 181365777 /nfs/dbraw/zinc/36/57/77/181365777.db2.gz JFNDKIRBXSZXJL-UHFFFAOYSA-N 1 3 244.342 1.734 40 0 BDABHO CCN1CCN(CCCCCC[NH3+])CC1 ZINC000019794300 371190283 /nfs/dbraw/zinc/19/02/83/371190283.db2.gz DWAPUIODRHWFDP-UHFFFAOYSA-N 1 3 213.369 1.143 40 0 BDABHO Cc1ccc([C@@H]2CN(C)C[C@H]2C[NH3+])cc1 ZINC000216408948 371751728 /nfs/dbraw/zinc/75/17/28/371751728.db2.gz UTTGTIYNDWGBEC-OLZOCXBDSA-N 1 3 204.317 1.599 40 0 BDABHO O[C@@H]1C[NH2+]CC[C@]12CCCN2Cc1ccccc1 ZINC000257298306 183207691 /nfs/dbraw/zinc/20/76/91/183207691.db2.gz RLDJWVWHQRDLQE-HUUCEWRRSA-N 1 3 246.354 1.375 40 0 BDABHO CCCCN(CC)C[C@@H](O)C[NH2+]C1CC1 ZINC000034978517 384009341 /nfs/dbraw/zinc/00/93/41/384009341.db2.gz HFRCFHDXTUFJHP-LBPRGKRZSA-N 1 3 214.353 1.221 40 0 BDABHO CN(Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414473 384135924 /nfs/dbraw/zinc/13/59/24/384135924.db2.gz NNVVZNJLUYXBRE-OAHLLOKOSA-N 1 3 247.386 1.542 40 0 BDABHO CCN(C(=O)[C@H](C)N)C1CCC([NH+](C)C)CC1 ZINC000079407250 384137063 /nfs/dbraw/zinc/13/70/63/384137063.db2.gz ICEKJABMGPCNMV-UNXYVOJBSA-N 1 3 241.379 1.055 40 0 BDABHO [NH3+][C@H]1CC[C@H](NCc2ccccn2)CC1 ZINC000100267969 384628133 /nfs/dbraw/zinc/62/81/33/384628133.db2.gz REYVYFAQYPZIPF-PHIMTYICSA-N 1 3 205.305 1.441 40 0 BDABHO CN1C[C@@H](c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000082945365 173192195 /nfs/dbraw/zinc/19/21/95/173192195.db2.gz VFJQQDKNVMXPLG-JQWIXIFHSA-N 1 3 208.280 1.430 40 0 BDABHO C[NH2+]C[C@H]1C[C@@H]1CN1Cc2ccccc2C1 ZINC000096509362 173382722 /nfs/dbraw/zinc/38/27/22/173382722.db2.gz CHBIEADHJMWUNG-ZIAGYGMSSA-N 1 3 216.328 1.858 40 0 BDABHO Cc1cc(NCCCCCC[NH3+])nc(N)n1 ZINC000015418416 178158249 /nfs/dbraw/zinc/15/82/49/178158249.db2.gz UKKUQDHHYGGLDZ-UHFFFAOYSA-N 1 3 223.324 1.298 40 0 BDABHO CC[NH+](CC)CC[C@H]1CN(C)Cc2ccnn21 ZINC000585112269 344136686 /nfs/dbraw/zinc/13/66/86/344136686.db2.gz MGUDGYAHPGLCLO-ZDUSSCGKSA-N 1 3 236.363 1.602 40 0 BDABHO C(C1CCCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000096208749 191055842 /nfs/dbraw/zinc/05/58/42/191055842.db2.gz VFLNSXFFGRZZKN-CHWSQXEVSA-N 1 3 224.348 1.097 40 0 BDABHO C(C1CCCC1)[N@@H+]1CCO[C@@H]2CNC[C@@H]2C1 ZINC000096208749 191055845 /nfs/dbraw/zinc/05/58/45/191055845.db2.gz VFLNSXFFGRZZKN-CHWSQXEVSA-N 1 3 224.348 1.097 40 0 BDABHO C(C1CCCC1)[N@H+]1CCO[C@@H]2CNC[C@@H]2C1 ZINC000096208749 191055848 /nfs/dbraw/zinc/05/58/48/191055848.db2.gz VFLNSXFFGRZZKN-CHWSQXEVSA-N 1 3 224.348 1.097 40 0 BDABHO CC(C)C[C@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190239 188255344 /nfs/dbraw/zinc/25/53/44/188255344.db2.gz GXZYHHKWFGMKAX-ZDUSSCGKSA-N 1 3 227.396 1.386 40 0 BDABHO CN1C[C@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607336 259540103 /nfs/dbraw/zinc/54/01/03/259540103.db2.gz WZBGXWRNEQOOCJ-CMPLNLGQSA-N 1 3 224.735 1.944 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407254 384137244 /nfs/dbraw/zinc/13/72/44/384137244.db2.gz KEBPBVLTDLEJFZ-SDDRHHMPSA-N 1 3 241.379 1.055 40 0 BDABHO CCCN(CC)Cc1c(C[NH3+])cnn1C ZINC000408716562 384704300 /nfs/dbraw/zinc/70/43/00/384704300.db2.gz OICVLGKJMPLRBE-UHFFFAOYSA-N 1 3 210.325 1.111 40 0 BDABHO CSCC[C@@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000096523870 385272205 /nfs/dbraw/zinc/27/22/05/385272205.db2.gz NGSZGHRWNUMZGU-GFCCVEGCSA-N 1 3 245.436 1.093 40 0 BDABHO C[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000095097502 385434699 /nfs/dbraw/zinc/43/46/99/385434699.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 3 226.364 1.173 40 0 BDABHO C[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C)C1 ZINC000095097502 385434701 /nfs/dbraw/zinc/43/47/01/385434701.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 3 226.364 1.173 40 0 BDABHO CN1CCC([N@@H+]2CCN[C@@H]3CCCC[C@@H]32)CC1 ZINC000225713704 388840944 /nfs/dbraw/zinc/84/09/44/388840944.db2.gz WEDOSQOFDUQFFJ-KGLIPLIRSA-N 1 3 237.391 1.297 40 0 BDABHO CN1CCC([N@H+]2CCN[C@@H]3CCCC[C@@H]32)CC1 ZINC000225713704 388840946 /nfs/dbraw/zinc/84/09/46/388840946.db2.gz WEDOSQOFDUQFFJ-KGLIPLIRSA-N 1 3 237.391 1.297 40 0 BDABHO Cc1cccc(C)c1N1C(=N)NC(=[NH2+])NC1(C)C ZINC000001680767 132314550 /nfs/dbraw/zinc/31/45/50/132314550.db2.gz JDQXWWZDWBORMC-UHFFFAOYSA-N 1 3 245.330 1.489 40 0 BDABHO CC1CCC(O)(C[N@@H+]2CCC[C@H](N)C2)CC1 ZINC000096511430 168167637 /nfs/dbraw/zinc/16/76/37/168167637.db2.gz VSIGLIFPYRJLME-CPCZMJQVSA-N 1 3 226.364 1.351 40 0 BDABHO CC1CCC(O)(C[N@H+]2CCC[C@H](N)C2)CC1 ZINC000096511430 168167639 /nfs/dbraw/zinc/16/76/39/168167639.db2.gz VSIGLIFPYRJLME-CPCZMJQVSA-N 1 3 226.364 1.351 40 0 BDABHO C[NH2+]CCC1CCN(Cc2ccncc2)CC1 ZINC000015424034 173343286 /nfs/dbraw/zinc/34/32/86/173343286.db2.gz RVMXULWQNVXTBJ-UHFFFAOYSA-N 1 3 233.359 1.903 40 0 BDABHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccs1 ZINC000218874420 398243804 /nfs/dbraw/zinc/24/38/04/398243804.db2.gz WJGVXTQYDKCYTE-MNOVXSKESA-N 1 3 210.346 1.760 40 0 BDABHO c1cc(N2CCNCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072216294 259317958 /nfs/dbraw/zinc/31/79/58/259317958.db2.gz PBXGSBWLQKLVMC-ZDUSSCGKSA-N 1 3 246.358 1.306 40 0 BDABHO CCN1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495887 259326243 /nfs/dbraw/zinc/32/62/43/259326243.db2.gz GROOQHFRWPFWFN-KGLIPLIRSA-N 1 3 218.344 1.898 40 0 BDABHO CCN1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515795 343757357 /nfs/dbraw/zinc/75/73/57/343757357.db2.gz KKBBBUBRGOOPKF-GXSJLCMTSA-N 1 3 234.347 1.903 40 0 BDABHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000101033551 344418568 /nfs/dbraw/zinc/41/85/68/344418568.db2.gz GLFBPDDMMVIVQJ-WCQYABFASA-N 1 3 204.317 1.713 40 0 BDABHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN ZINC000101033551 344418569 /nfs/dbraw/zinc/41/85/69/344418569.db2.gz GLFBPDDMMVIVQJ-WCQYABFASA-N 1 3 204.317 1.713 40 0 BDABHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN ZINC000101033551 344418570 /nfs/dbraw/zinc/41/85/70/344418570.db2.gz GLFBPDDMMVIVQJ-WCQYABFASA-N 1 3 204.317 1.713 40 0 BDABHO CCC[C@@H]([NH3+])CN1CCN(CCC)CC1 ZINC000036873579 169392521 /nfs/dbraw/zinc/39/25/21/169392521.db2.gz AENFXKDCVHKIFD-GFCCVEGCSA-N 1 3 213.369 1.141 40 0 BDABHO CN(C)C[C@H]1CCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593638 384018653 /nfs/dbraw/zinc/01/86/53/384018653.db2.gz QDDPJRXRDUAAMR-TXEJJXNPSA-N 1 3 226.364 1.485 40 0 BDABHO CN(C)C[C@@H]1CCCC[C@H](C[NH+](C)C)C1=O ZINC000003593638 384018659 /nfs/dbraw/zinc/01/86/59/384018659.db2.gz QDDPJRXRDUAAMR-TXEJJXNPSA-N 1 3 226.364 1.485 40 0 BDABHO CC(C)N(C[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407318 384136295 /nfs/dbraw/zinc/13/62/95/384136295.db2.gz MNSZNYKZAOELMJ-NWDGAFQWSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)N(C[C@H]1CCCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407318 384136311 /nfs/dbraw/zinc/13/63/11/384136311.db2.gz MNSZNYKZAOELMJ-NWDGAFQWSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079419466 384145486 /nfs/dbraw/zinc/14/54/86/384145486.db2.gz SJWCBRSIHPELSO-SDDRHHMPSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079419466 384145490 /nfs/dbraw/zinc/14/54/90/384145490.db2.gz SJWCBRSIHPELSO-SDDRHHMPSA-N 1 3 241.379 1.101 40 0 BDABHO CC[C@H](C)[C@H]([NH3+])CN1CCN(C(C)C)CC1 ZINC000036190178 384181826 /nfs/dbraw/zinc/18/18/26/384181826.db2.gz DDZMFNXEGLFZQJ-QWHCGFSZSA-N 1 3 227.396 1.386 40 0 BDABHO CCCCN1CCN(CCCCCC[NH3+])CC1 ZINC000096523738 385266383 /nfs/dbraw/zinc/26/63/83/385266383.db2.gz JAMWDRDQPMECBO-UHFFFAOYSA-N 1 3 241.423 1.923 40 0 BDABHO CC(C)[C@@H]([NH3+])CCN1CCN(C(C)C)CC1 ZINC000096523819 385267218 /nfs/dbraw/zinc/26/72/18/385267218.db2.gz YIHHDFBTZZWOPI-ZDUSSCGKSA-N 1 3 227.396 1.386 40 0 BDABHO CC(C)[C@]1([NH3+])CCN(c2ccncc2)C1 ZINC000095098152 385485849 /nfs/dbraw/zinc/48/58/49/385485849.db2.gz CPORURNIKHIRQY-LBPRGKRZSA-N 1 3 205.305 1.645 40 0 BDABHO C[C@@H]1C[C@@H](C)CN(C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950435 385824784 /nfs/dbraw/zinc/82/47/84/385824784.db2.gz SRGZXIQVTVCGOL-NQBHXWOUSA-N 1 3 226.364 1.077 40 0 BDABHO C[Si](C)(C)NCC[NH2+][Si](C)(C)C ZINC000195763923 388586597 /nfs/dbraw/zinc/58/65/97/388586597.db2.gz AOZQTURTLIEFNQ-UHFFFAOYSA-N 1 3 204.466 1.835 40 0 BDABHO C[C@@H]1C[C@H](C)CN(C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020705 388611090 /nfs/dbraw/zinc/61/10/90/388611090.db2.gz SRGZXIQVTVCGOL-LOWVWBTDSA-N 1 3 226.364 1.077 40 0 BDABHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873493 388585702 /nfs/dbraw/zinc/58/57/02/388585702.db2.gz FBZYASFAIZMFDP-RYUDHWBXSA-N 1 3 208.280 1.795 40 0 BDABHO CC(C)OC1CC[NH+](C(C)(C)CN)CC1 ZINC000252478819 388652395 /nfs/dbraw/zinc/65/23/95/388652395.db2.gz AVNCNLVTQGMWCE-UHFFFAOYSA-N 1 3 214.353 1.613 40 0 BDABHO C[C@H](c1cnccn1)N1CCC(C[NH3+])CC1 ZINC000070026272 177051276 /nfs/dbraw/zinc/05/12/76/177051276.db2.gz LXRCXECBVRJRIV-SNVBAGLBSA-N 1 3 220.320 1.208 40 0 BDABHO Cc1ccc2c(c1)C[NH2+]CC1(CCN(C)CC1)O2 ZINC000019219566 342944231 /nfs/dbraw/zinc/94/42/31/342944231.db2.gz ZDXZAZGEKIGFFN-UHFFFAOYSA-N 1 3 246.354 1.941 40 0 BDABHO Cc1cccc2c(NCC[NH3+])ccnc12 ZINC000107190647 179211878 /nfs/dbraw/zinc/21/18/78/179211878.db2.gz JAPIOIRUOWGHOD-UHFFFAOYSA-N 1 3 201.273 1.914 40 0 BDABHO CN(C)[C@H]1CCC[N@H+](CC2(C)COC2)CC1 ZINC000429531332 201111657 /nfs/dbraw/zinc/11/16/57/201111657.db2.gz RIAQFVBCUFZUSM-LBPRGKRZSA-N 1 3 226.364 1.439 40 0 BDABHO CN(C)[C@H]1CCC[N@@H+](CC2(C)COC2)CC1 ZINC000429531332 201111659 /nfs/dbraw/zinc/11/16/59/201111659.db2.gz RIAQFVBCUFZUSM-LBPRGKRZSA-N 1 3 226.364 1.439 40 0 BDABHO C[NH+](C)[C@H]1CCCN(CC2(C)COC2)CC1 ZINC000429531332 201111663 /nfs/dbraw/zinc/11/16/63/201111663.db2.gz RIAQFVBCUFZUSM-LBPRGKRZSA-N 1 3 226.364 1.439 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177545 169652508 /nfs/dbraw/zinc/65/25/08/169652508.db2.gz ICEKJABMGPCNMV-SDDRHHMPSA-N 1 3 241.379 1.055 40 0 BDABHO C[C@@H](NCC1CC[NH2+]CC1)c1nccs1 ZINC000070733413 383960956 /nfs/dbraw/zinc/96/09/56/383960956.db2.gz XCTVDPVUAJGJNR-SECBINFHSA-N 1 3 225.361 1.793 40 0 BDABHO [NH3+][C@H]1CC[C@H](N2CCN(CC3CC3)CC2)CC1 ZINC000100134607 384288843 /nfs/dbraw/zinc/28/88/43/384288843.db2.gz LBYALFWGJOLWMN-OKILXGFUSA-N 1 3 237.391 1.284 40 0 BDABHO c1ccc([C@H]2C[C@H]2NC2CC[NH2+]CC2)cc1 ZINC000044675893 384351214 /nfs/dbraw/zinc/35/12/14/384351214.db2.gz BASFYRLYJAZPPL-ZIAGYGMSSA-N 1 3 216.328 1.884 40 0 BDABHO c1ccc([C@H]2C[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000044675893 384351220 /nfs/dbraw/zinc/35/12/20/384351220.db2.gz BASFYRLYJAZPPL-ZIAGYGMSSA-N 1 3 216.328 1.884 40 0 BDABHO CN(C)CCCNC(=[NH2+])c1ccccc1 ZINC000001685208 384434861 /nfs/dbraw/zinc/43/48/61/384434861.db2.gz ZAKJYPOIEARPSG-UHFFFAOYSA-N 1 3 205.305 1.553 40 0 BDABHO CC(C)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919038 387450132 /nfs/dbraw/zinc/45/01/32/387450132.db2.gz JUJAOJHPGBFSSZ-AWEZNQCLSA-N 1 3 239.407 1.402 40 0 BDABHO [NH3+][C@H]1CCN[C@H](Cc2ccc(Cl)cc2)C1 ZINC000147072004 388671281 /nfs/dbraw/zinc/67/12/81/388671281.db2.gz SGVKWPSGJHWMGH-NWDGAFQWSA-N 1 3 224.735 1.962 40 0 BDABHO CC(C)N1CCN(CCCCC[NH3+])CC1 ZINC000037049321 397968705 /nfs/dbraw/zinc/96/87/05/397968705.db2.gz METSGVKKTGURTJ-UHFFFAOYSA-N 1 3 213.369 1.141 40 0 BDABHO CN1CCCN(CC2([NH3+])CCCCC2)CC1 ZINC000020217805 173013336 /nfs/dbraw/zinc/01/33/36/173013336.db2.gz PJJVVESCTBSWDG-UHFFFAOYSA-N 1 3 225.380 1.286 40 0 BDABHO COc1ccc(CCC[N@@H+]2CCCNCC2)cc1 ZINC000041301838 175089324 /nfs/dbraw/zinc/08/93/24/175089324.db2.gz UXNPQFBHHVEGNE-UHFFFAOYSA-N 1 3 248.370 1.923 40 0 BDABHO COc1ccc(CCC[N@H+]2CCCNCC2)cc1 ZINC000041301838 175089325 /nfs/dbraw/zinc/08/93/25/175089325.db2.gz UXNPQFBHHVEGNE-UHFFFAOYSA-N 1 3 248.370 1.923 40 0 BDABHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218873155 175091956 /nfs/dbraw/zinc/09/19/56/175091956.db2.gz DBCVSLJONOHOAC-UONOGXRCSA-N 1 3 234.343 1.707 40 0 BDABHO COc1ccc([C@@H]2CN(C)C[C@@H]2C[NH3+])cc1 ZINC000083017746 175183514 /nfs/dbraw/zinc/18/35/14/175183514.db2.gz HKMUZIJDOFHNOP-AAEUAGOBSA-N 1 3 220.316 1.299 40 0 BDABHO CC[NH+](CC)CC[C@@H]1CN(C)Cc2ccnn21 ZINC000585112266 344136697 /nfs/dbraw/zinc/13/66/97/344136697.db2.gz MGUDGYAHPGLCLO-CYBMUJFWSA-N 1 3 236.363 1.602 40 0 BDABHO CC(C)N(C)Cc1n[nH]c2c1CC[N@H+](C)C2 ZINC000096255843 191055949 /nfs/dbraw/zinc/05/59/49/191055949.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 1 3 222.336 1.238 40 0 BDABHO CC(C)N(C)Cc1n[nH]c2c1CC[N@@H+](C)C2 ZINC000096255843 191055951 /nfs/dbraw/zinc/05/59/51/191055951.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 1 3 222.336 1.238 40 0 BDABHO NC1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000090494978 181332639 /nfs/dbraw/zinc/33/26/39/181332639.db2.gz CSRZFQQMCRGDHV-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO [NH3+]C1(Cc2ccccc2Cl)CCNCC1 ZINC000090494978 181332642 /nfs/dbraw/zinc/33/26/42/181332642.db2.gz CSRZFQQMCRGDHV-UHFFFAOYSA-N 1 3 224.735 1.963 40 0 BDABHO [NH3+]C1(c2cccc(Cl)c2)CCNCC1 ZINC000098213749 181335423 /nfs/dbraw/zinc/33/54/23/181335423.db2.gz UJNZKCWXWZHQBE-UHFFFAOYSA-N 1 3 210.708 1.877 40 0 BDABHO NCC1=CCC[N@H+](Cc2ccccc2)C1 ZINC000090608708 181364370 /nfs/dbraw/zinc/36/43/70/181364370.db2.gz ANFFEGIUXFJRJN-UHFFFAOYSA-N 1 3 202.301 1.777 40 0 BDABHO NCC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000090608708 181364373 /nfs/dbraw/zinc/36/43/73/181364373.db2.gz ANFFEGIUXFJRJN-UHFFFAOYSA-N 1 3 202.301 1.777 40 0 BDABHO CCCN1CCN(C[C@@H]([NH3+])CCSC)CC1 ZINC000096523864 169202548 /nfs/dbraw/zinc/20/25/48/169202548.db2.gz CEKYCLWLJSWZOC-LBPRGKRZSA-N 1 3 245.436 1.094 40 0 BDABHO CN(C)C[C@H]1CCCCC[C@H](C[NH+](C)C)C1=O ZINC000003593636 384016804 /nfs/dbraw/zinc/01/68/04/384016804.db2.gz IFVFPEMDOGILFX-CHWSQXEVSA-N 1 3 240.391 1.875 40 0 BDABHO N[C@H]1C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000076646001 384233798 /nfs/dbraw/zinc/23/37/98/384233798.db2.gz HRHOQWHMSDKGIB-UONOGXRCSA-N 1 3 216.328 2.000 40 0 BDABHO N[C@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000076646001 384233806 /nfs/dbraw/zinc/23/38/06/384233806.db2.gz HRHOQWHMSDKGIB-UONOGXRCSA-N 1 3 216.328 2.000 40 0 BDABHO CC(C)N1CCN(c2ccc([C@H](C)[NH3+])cn2)CC1 ZINC000072225617 385125934 /nfs/dbraw/zinc/12/59/34/385125934.db2.gz PTNMOBFGCYRMOZ-LBPRGKRZSA-N 1 3 248.374 1.632 40 0 BDABHO [NH3+]CCOc1cccc(CN2CCCC2)c1 ZINC000041234292 387795961 /nfs/dbraw/zinc/79/59/61/387795961.db2.gz JJMSNJGEQLAOFN-UHFFFAOYSA-N 1 3 220.316 1.620 40 0 BDABHO CCn1ncc(CN(C)CCCC[NH3+])c1C ZINC000096523770 172255247 /nfs/dbraw/zinc/25/52/47/172255247.db2.gz XUDBXVMTCWPZTQ-UHFFFAOYSA-N 1 3 224.352 1.382 40 0 BDABHO CC(C)CN1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523825 343758527 /nfs/dbraw/zinc/75/85/27/343758527.db2.gz DVGORGVDTAVQMX-CQSZACIVSA-N 1 3 241.423 1.633 40 0 BDABHO CCC[C@H]([NH3+])CN1CCN(CCC)CC1 ZINC000036873578 347952060 /nfs/dbraw/zinc/95/20/60/347952060.db2.gz AENFXKDCVHKIFD-LBPRGKRZSA-N 1 3 213.369 1.141 40 0 BDABHO c1cnc(N2CCNCC2)c(C2=[NH+]CCCC2)c1 ZINC000072216353 259528137 /nfs/dbraw/zinc/52/81/37/259528137.db2.gz VSDFUHOHJUERNQ-UHFFFAOYSA-N 1 3 244.342 1.464 40 0 BDABHO [NH3+]CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000015423992 181371834 /nfs/dbraw/zinc/37/18/34/181371834.db2.gz JPABMEKIUWXQRY-UHFFFAOYSA-N 1 3 234.343 1.953 40 0 BDABHO Cc1ncc2cc(C3(C)CC[NH2+]CC3)nc(C)n21 ZINC000205690275 368358171 /nfs/dbraw/zinc/35/81/71/368358171.db2.gz JCBICCWQRBLPFF-UHFFFAOYSA-N 1 3 244.342 1.987 40 0 BDABHO CCCCOC(=O)CCNCCC[NH+](C)C ZINC000003162496 168883602 /nfs/dbraw/zinc/88/36/02/168883602.db2.gz YCNGWWRLOGKETC-UHFFFAOYSA-N 1 3 230.352 1.261 40 0 BDABHO CCCN1CCN(C[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000020073790 169203377 /nfs/dbraw/zinc/20/33/77/169203377.db2.gz RBCWTVMIYMMQII-CHWSQXEVSA-N 1 3 227.396 1.387 40 0 BDABHO Cc1ccc([C@@H]2CN(C)C[C@@H]2C[NH3+])cc1 ZINC000082929026 384605181 /nfs/dbraw/zinc/60/51/81/384605181.db2.gz UTTGTIYNDWGBEC-STQMWFEESA-N 1 3 204.317 1.599 40 0 BDABHO Clc1ncc(CNCC2CC[NH2+]CC2)s1 ZINC000072203568 385056283 /nfs/dbraw/zinc/05/62/83/385056283.db2.gz RDIFUQVSBQMBNV-UHFFFAOYSA-N 1 3 245.779 1.886 40 0 BDABHO C[C@H](NCCN(C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863008 397976545 /nfs/dbraw/zinc/97/65/45/397976545.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 1 3 239.407 1.401 40 0 BDABHO C[C@H](NCCN(C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863008 397976547 /nfs/dbraw/zinc/97/65/47/397976547.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 1 3 239.407 1.401 40 0 BDABHO CN1C[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000083046963 173192712 /nfs/dbraw/zinc/19/27/12/173192712.db2.gz WZBGXWRNEQOOCJ-JQWIXIFHSA-N 1 3 224.735 1.944 40 0 BDABHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895810 176306335 /nfs/dbraw/zinc/30/63/35/176306335.db2.gz GLFBPDDMMVIVQJ-YPMHNXCESA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN ZINC000026895810 176306336 /nfs/dbraw/zinc/30/63/36/176306336.db2.gz GLFBPDDMMVIVQJ-YPMHNXCESA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN ZINC000026895810 176306338 /nfs/dbraw/zinc/30/63/38/176306338.db2.gz GLFBPDDMMVIVQJ-YPMHNXCESA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C)[C@@H](C)CN1C ZINC000102761560 177238705 /nfs/dbraw/zinc/23/87/05/177238705.db2.gz ZFMHJCHHDNGZAM-XQQFMLRXSA-N 1 3 227.396 1.256 40 0 BDABHO CN1CCC[C@@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687719 259326259 /nfs/dbraw/zinc/32/62/59/259326259.db2.gz USIKDRAAQPBJKJ-CQSZACIVSA-N 1 3 229.327 1.501 40 0 BDABHO N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854925 398328856 /nfs/dbraw/zinc/32/88/56/398328856.db2.gz BVKHEYIEIBVHII-RYUDHWBXSA-N 1 3 248.326 1.775 40 0 BDABHO CCN(CC)CC[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218856125 398328887 /nfs/dbraw/zinc/32/88/87/398328887.db2.gz JMXCNWJXZWQWGU-NWDGAFQWSA-N 1 3 213.369 1.188 40 0 BDABHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)OC ZINC000035748326 343303647 /nfs/dbraw/zinc/30/36/47/343303647.db2.gz PNJXAWZCKGXWGB-NSHDSACASA-N 1 3 230.352 1.260 40 0 BDABHO [NH3+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC000238556091 181331960 /nfs/dbraw/zinc/33/19/60/181331960.db2.gz FPIODHOUCOIJQB-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO NC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000238556091 181331962 /nfs/dbraw/zinc/33/19/62/181331962.db2.gz FPIODHOUCOIJQB-UHFFFAOYSA-N 1 3 208.280 1.449 40 0 BDABHO NCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000072226468 181397094 /nfs/dbraw/zinc/39/70/94/181397094.db2.gz VTJCBIIALKNPST-UHFFFAOYSA-N 1 3 248.248 1.676 40 0 BDABHO CN(Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414502 384135350 /nfs/dbraw/zinc/13/53/50/384135350.db2.gz VPGCATPJUSKIPV-HNNXBMFYSA-N 1 3 247.386 1.542 40 0 BDABHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000079419444 384143463 /nfs/dbraw/zinc/14/34/63/384143463.db2.gz KAQCAABGQLDDHF-RYUDHWBXSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)N ZINC000079419444 384143471 /nfs/dbraw/zinc/14/34/71/384143471.db2.gz KAQCAABGQLDDHF-RYUDHWBXSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079419458 384144037 /nfs/dbraw/zinc/14/40/37/384144037.db2.gz SJWCBRSIHPELSO-SRVKXCTJSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079419458 384144043 /nfs/dbraw/zinc/14/40/43/384144043.db2.gz SJWCBRSIHPELSO-SRVKXCTJSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177628 384284304 /nfs/dbraw/zinc/28/43/04/384284304.db2.gz NNXHCQLIIHFSJI-SDDRHHMPSA-N 1 3 241.379 1.101 40 0 BDABHO CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177628 384284312 /nfs/dbraw/zinc/28/43/12/384284312.db2.gz NNXHCQLIIHFSJI-SDDRHHMPSA-N 1 3 241.379 1.101 40 0 BDABHO [NH3+]C[C@@H]1C[C@H]1CN1Cc2ccccc2C1 ZINC000096509451 385240573 /nfs/dbraw/zinc/24/05/73/385240573.db2.gz PGUYUNZVZQMLLJ-STQMWFEESA-N 1 3 202.301 1.597 40 0 BDABHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccccc1 ZINC000218870604 386351775 /nfs/dbraw/zinc/35/17/75/386351775.db2.gz PKAFNOZHKZAREC-CHWSQXEVSA-N 1 3 204.317 1.699 40 0 BDABHO [NH3+][C@H]1CCC[C@H]1NCCc1ccccc1 ZINC000218870654 386353273 /nfs/dbraw/zinc/35/32/73/386353273.db2.gz PKAFNOZHKZAREC-QWHCGFSZSA-N 1 3 204.317 1.699 40 0 BDABHO CCN(CCCCC[NH3+])Cc1cnn(CC)c1 ZINC000096523838 387039778 /nfs/dbraw/zinc/03/97/78/387039778.db2.gz OHZLFPSFWAEHGI-UHFFFAOYSA-N 1 3 238.379 1.854 40 0 BDABHO [NH3+]CCCCCCN1CCSCC1 ZINC000020257462 388760465 /nfs/dbraw/zinc/76/04/65/388760465.db2.gz GROIUTOISQPHGO-UHFFFAOYSA-N 1 3 202.367 1.554 40 0 BDABHO COc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218873334 175092699 /nfs/dbraw/zinc/09/26/99/175092699.db2.gz DBCVSLJONOHOAC-KGLIPLIRSA-N 1 3 234.343 1.707 40 0 BDABHO COc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000218872273 175112241 /nfs/dbraw/zinc/11/22/41/175112241.db2.gz QSSMZORTYZYQMX-OLZOCXBDSA-N 1 3 220.316 1.665 40 0 BDABHO CSCCNCCC[NH2+]CCSC ZINC000068605020 175498516 /nfs/dbraw/zinc/49/85/16/175498516.db2.gz SGUKOFDHHHIPAV-UHFFFAOYSA-N 1 3 222.423 1.282 40 0 BDABHO [NH3+]C[C@H]1[C@H]2CN(Cc3ccccc3F)C[C@@H]12 ZINC000253614663 527242086 /nfs/dbraw/zinc/24/20/86/527242086.db2.gz BPTZIVDEXNNJCR-ZSBIGDGJSA-N 1 3 220.291 1.462 40 0 BDABHO c1cnc(N2CC[NH2+]CC2)c([C@H]2CCCCN2)c1 ZINC000072216355 259317954 /nfs/dbraw/zinc/31/79/54/259317954.db2.gz IDILNSPOVPHMCZ-CYBMUJFWSA-N 1 3 246.358 1.306 40 0 BDABHO CC(C)CN1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523824 343758521 /nfs/dbraw/zinc/75/85/21/343758521.db2.gz DVGORGVDTAVQMX-AWEZNQCLSA-N 1 3 241.423 1.633 40 0 BDABHO CCCN1CCN(C[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000020073792 169203195 /nfs/dbraw/zinc/20/31/95/169203195.db2.gz RBCWTVMIYMMQII-OLZOCXBDSA-N 1 3 227.396 1.387 40 0 BDABHO CCCN1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523810 169203893 /nfs/dbraw/zinc/20/38/93/169203893.db2.gz WLQAYNDDFLMKFY-ZDUSSCGKSA-N 1 3 227.396 1.387 40 0 BDABHO C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C)C1 ZINC000225528444 385082528 /nfs/dbraw/zinc/08/25/28/385082528.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 1 3 226.364 1.173 40 0 BDABHO C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C)C1 ZINC000225528444 385082534 /nfs/dbraw/zinc/08/25/34/385082534.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 1 3 226.364 1.173 40 0 BDABHO CCCCN1CCN(C[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000096523969 385272382 /nfs/dbraw/zinc/27/23/82/385272382.db2.gz PKZJXTQSBPXKCW-KGLIPLIRSA-N 1 3 241.423 1.778 40 0 BDABHO CC(C)[C@@]1([NH3+])CCN(c2ccncc2)C1 ZINC000095098153 385486689 /nfs/dbraw/zinc/48/66/89/385486689.db2.gz CPORURNIKHIRQY-GFCCVEGCSA-N 1 3 205.305 1.645 40 0 BDABHO [NH3+]C[C@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]12 ZINC000247634472 386725959 /nfs/dbraw/zinc/72/59/59/386725959.db2.gz DADZZUVKEHQCEL-CLLJXQQHSA-N 1 3 236.746 1.977 40 0 BDABHO CN1CCC([N@@H+]2CCN[C@@H]3CCCC[C@H]32)CC1 ZINC000218835213 398090597 /nfs/dbraw/zinc/09/05/97/398090597.db2.gz WEDOSQOFDUQFFJ-ZIAGYGMSSA-N 1 3 237.391 1.297 40 0 BDABHO CN1CCC([N@H+]2CCN[C@@H]3CCCC[C@H]32)CC1 ZINC000218835213 398090600 /nfs/dbraw/zinc/09/06/00/398090600.db2.gz WEDOSQOFDUQFFJ-ZIAGYGMSSA-N 1 3 237.391 1.297 40 0 BDABHO CCN(CC)CCS(=O)CC[NH+](CC)CC ZINC000001621760 487598820 /nfs/dbraw/zinc/59/88/20/487598820.db2.gz MWFDWIJVEHBESU-UHFFFAOYSA-N 1 3 248.436 1.419 40 0 BDABHO NC[C@@H](CO)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210329 259316621 /nfs/dbraw/zinc/31/66/21/259316621.db2.gz KGTXLTAWHMNUME-LSDHHAIUSA-N 1 3 248.370 1.781 40 0 BDABHO [NH3+]C[C@@H](CO)[C@@H](c1ccccc1)N1CCCCC1 ZINC000072210329 259316622 /nfs/dbraw/zinc/31/66/22/259316622.db2.gz KGTXLTAWHMNUME-LSDHHAIUSA-N 1 3 248.370 1.781 40 0 BDABHO Cc1nn(C)cc1CN(C)CCCCC[NH3+] ZINC000096523839 180373033 /nfs/dbraw/zinc/37/30/33/180373033.db2.gz WJCMGQXEMQWWDR-UHFFFAOYSA-N 1 3 224.352 1.289 40 0 BDABHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000114746301 355972495 /nfs/dbraw/zinc/97/24/95/355972495.db2.gz VTJULCNKQLRXFZ-ZYHUDNBSSA-N 1 3 217.316 1.690 40 0 BDABHO [NH3+]CCC1CCN(Cc2ccncc2)CC1 ZINC000015423995 181371846 /nfs/dbraw/zinc/37/18/46/181371846.db2.gz SPYGTNSEIWBSOT-UHFFFAOYSA-N 1 3 219.332 1.642 40 0 BDABHO OCCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264454 383866331 /nfs/dbraw/zinc/86/63/31/383866331.db2.gz OLMHHSBJCGAUHX-AWEZNQCLSA-N 1 3 234.343 1.090 40 0 BDABHO OCCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264454 383866336 /nfs/dbraw/zinc/86/63/36/383866336.db2.gz OLMHHSBJCGAUHX-AWEZNQCLSA-N 1 3 234.343 1.090 40 0 BDABHO [NH3+]C[C@H]1C[C@@H]1CN1Cc2ccccc2C1 ZINC000096509450 385241503 /nfs/dbraw/zinc/24/15/03/385241503.db2.gz PGUYUNZVZQMLLJ-CHWSQXEVSA-N 1 3 202.301 1.597 40 0 BDABHO CCCCN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000096523678 385267935 /nfs/dbraw/zinc/26/79/35/385267935.db2.gz ZKUDRLQQFCYOOF-CQSZACIVSA-N 1 3 239.407 1.404 40 0 BDABHO CCCCN1CCN(C[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000096523970 385272598 /nfs/dbraw/zinc/27/25/98/385272598.db2.gz PKZJXTQSBPXKCW-ZIAGYGMSSA-N 1 3 241.423 1.778 40 0 BDABHO CCCCN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531566 385282599 /nfs/dbraw/zinc/28/25/99/385282599.db2.gz VNESTBPAKXKYRF-UHFFFAOYSA-N 1 3 212.337 1.241 40 0 BDABHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873420 386423921 /nfs/dbraw/zinc/42/39/21/386423921.db2.gz FBZYASFAIZMFDP-NEPJUHHUSA-N 1 3 208.280 1.795 40 0 BDABHO CC1CCC(O)(C[N@@H+]2CCC[C@@H](N)C2)CC1 ZINC000096511431 168167079 /nfs/dbraw/zinc/16/70/79/168167079.db2.gz VSIGLIFPYRJLME-OTTFEQOBSA-N 1 3 226.364 1.351 40 0 BDABHO CC1CCC(O)(C[N@H+]2CCC[C@@H](N)C2)CC1 ZINC000096511431 168167081 /nfs/dbraw/zinc/16/70/81/168167081.db2.gz VSIGLIFPYRJLME-OTTFEQOBSA-N 1 3 226.364 1.351 40 0 BDABHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C)[C@@H](C)CN1C ZINC000102761558 177239549 /nfs/dbraw/zinc/23/95/49/177239549.db2.gz ZFMHJCHHDNGZAM-YNEHKIRRSA-N 1 3 227.396 1.256 40 0 BDABHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(F)cc1 ZINC000017126763 534962744 /nfs/dbraw/zinc/96/27/44/534962744.db2.gz IFLSKJWEERCMHE-UHFFFAOYSA-N 1 3 235.266 1.011 40 0 BDABHO CCN1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515796 343757498 /nfs/dbraw/zinc/75/74/98/343757498.db2.gz KKBBBUBRGOOPKF-ONGXEEELSA-N 1 3 234.347 1.903 40 0 BDABHO [NH3+]C1(c2ccccc2Cl)CCNCC1 ZINC000090494811 181335078 /nfs/dbraw/zinc/33/50/78/181335078.db2.gz CLJKDNJPPDVEOJ-UHFFFAOYSA-N 1 3 210.708 1.877 40 0 BDABHO C[C@H]1CCCN(Cc2c(C[NH3+])cnn2C)C1 ZINC000408717218 384703499 /nfs/dbraw/zinc/70/34/99/384703499.db2.gz XAMLGUKIBATUAJ-JTQLQIEISA-N 1 3 222.336 1.111 40 0 BDABHO NC[C@@H](CO)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210324 385067353 /nfs/dbraw/zinc/06/73/53/385067353.db2.gz GIZJALXYCUENPH-KBPBESRZSA-N 1 3 234.343 1.391 40 0 BDABHO [NH3+]C[C@@H](CO)[C@H](c1ccccc1)N1CCCC1 ZINC000072210324 385067358 /nfs/dbraw/zinc/06/73/58/385067358.db2.gz GIZJALXYCUENPH-KBPBESRZSA-N 1 3 234.343 1.391 40 0 BDABHO NC[C@H](CO)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210330 385067594 /nfs/dbraw/zinc/06/75/94/385067594.db2.gz KGTXLTAWHMNUME-CABCVRRESA-N 1 3 248.370 1.781 40 0 BDABHO [NH3+]C[C@H](CO)[C@H](c1ccccc1)N1CCCCC1 ZINC000072210330 385067604 /nfs/dbraw/zinc/06/76/04/385067604.db2.gz KGTXLTAWHMNUME-CABCVRRESA-N 1 3 248.370 1.781 40 0 BDABHO Cc1noc(C)c1CCN(C)CCCC[NH3+] ZINC000096523765 385266707 /nfs/dbraw/zinc/26/67/07/385266707.db2.gz JAFSRBFBTDLCTB-UHFFFAOYSA-N 1 3 225.336 1.505 40 0 BDABHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218873643 388585658 /nfs/dbraw/zinc/58/56/58/388585658.db2.gz FBZYASFAIZMFDP-NWDGAFQWSA-N 1 3 208.280 1.795 40 0 BDABHO CCn1cc(CN(C)CCCCC[NH3+])c(C)n1 ZINC000096523841 172159945 /nfs/dbraw/zinc/15/99/45/172159945.db2.gz BWDLFIQUAIXNFS-UHFFFAOYSA-N 1 3 238.379 1.772 40 0 BDABHO CCn1nc(C)c(CN(C)CCCC[NH3+])c1C ZINC000096523777 172245147 /nfs/dbraw/zinc/24/51/47/172245147.db2.gz GAZJVEBRWFJYJB-UHFFFAOYSA-N 1 3 238.379 1.691 40 0 BDABHO CN1C[C@@H](C[NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000083046965 173183439 /nfs/dbraw/zinc/18/34/39/173183439.db2.gz WZBGXWRNEQOOCJ-PWSUYJOCSA-N 1 3 224.735 1.944 40 0 BDABHO C[NH2+]C[C@H]1C[C@H]1CN1Cc2ccccc2C1 ZINC000096509364 173382646 /nfs/dbraw/zinc/38/26/46/173382646.db2.gz CHBIEADHJMWUNG-KGLIPLIRSA-N 1 3 216.328 1.858 40 0 BDABHO [NH3+]C[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC000253614662 527220929 /nfs/dbraw/zinc/22/09/29/527220929.db2.gz BPTZIVDEXNNJCR-CNDDSTCGSA-N 1 3 220.291 1.462 40 0 BDABHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000218854999 398328883 /nfs/dbraw/zinc/32/88/83/398328883.db2.gz BVKHEYIEIBVHII-VXGBXAGGSA-N 1 3 248.326 1.775 40 0 BDABHO CC[C@H](C)[C@@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083667 259373921 /nfs/dbraw/zinc/37/39/21/259373921.db2.gz VAHUKHUVWIYUCA-KBPBESRZSA-N 1 3 241.423 1.633 40 0 BDABHO C[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C)C1 ZINC000225528412 345246513 /nfs/dbraw/zinc/24/65/13/345246513.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 1 3 226.364 1.173 40 0 BDABHO C[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C)C1 ZINC000225528412 345246514 /nfs/dbraw/zinc/24/65/14/345246514.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 1 3 226.364 1.173 40 0 BDABHO [NH3+]CC1CCN(Cc2[nH]nc3c2CCCC3)CC1 ZINC000096523626 181365668 /nfs/dbraw/zinc/36/56/68/181365668.db2.gz SOMHYEDWTJFGKU-UHFFFAOYSA-N 1 3 248.374 1.459 40 0 BDABHO [NH3+]CC1CCN(Cc2n[nH]c3c2CCCC3)CC1 ZINC000096523626 181365671 /nfs/dbraw/zinc/36/56/71/181365671.db2.gz SOMHYEDWTJFGKU-UHFFFAOYSA-N 1 3 248.374 1.459 40 0 BDABHO CC(C)N1CCN(CCCCCC[NH3+])CC1 ZINC000036190236 384182223 /nfs/dbraw/zinc/18/22/23/384182223.db2.gz ZVZZARITUHLCNK-UHFFFAOYSA-N 1 3 227.396 1.532 40 0 BDABHO CN1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591700 384195870 /nfs/dbraw/zinc/19/58/70/384195870.db2.gz IOOZHVUUMQVJIO-ZDUSSCGKSA-N 1 3 225.380 1.014 40 0 BDABHO [NH3+]C[C@H]1C[C@H]1CN1Cc2ccccc2C1 ZINC000096509449 385240954 /nfs/dbraw/zinc/24/09/54/385240954.db2.gz PGUYUNZVZQMLLJ-OLZOCXBDSA-N 1 3 202.301 1.597 40 0 BDABHO CCCCN1CCN(C[C@H]([NH3+])C(C)C)CC1 ZINC000096523755 385267266 /nfs/dbraw/zinc/26/72/66/385267266.db2.gz LZOXQKYHVVESEX-ZDUSSCGKSA-N 1 3 227.396 1.387 40 0 BDABHO COc1cccc(CC2([NH3+])CCNCC2)c1 ZINC000090554806 175250558 /nfs/dbraw/zinc/25/05/58/175250558.db2.gz DKLSEOGFHYRJBA-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO COc1cccc(CC2(N)CC[NH2+]CC2)c1 ZINC000090554806 175250560 /nfs/dbraw/zinc/25/05/60/175250560.db2.gz DKLSEOGFHYRJBA-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccs1 ZINC000218874588 398243730 /nfs/dbraw/zinc/24/37/30/398243730.db2.gz WJGVXTQYDKCYTE-GHMZBOCLSA-N 1 3 210.346 1.760 40 0 BDABHO NC[C@H](CO)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210327 259316637 /nfs/dbraw/zinc/31/66/37/259316637.db2.gz GIZJALXYCUENPH-ZIAGYGMSSA-N 1 3 234.343 1.391 40 0 BDABHO [NH3+]C[C@H](CO)[C@@H](c1ccccc1)N1CCCC1 ZINC000072210327 259316638 /nfs/dbraw/zinc/31/66/38/259316638.db2.gz GIZJALXYCUENPH-ZIAGYGMSSA-N 1 3 234.343 1.391 40 0 BDABHO CC(C)CN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531587 343761445 /nfs/dbraw/zinc/76/14/45/343761445.db2.gz PNXDCYNSECDPBD-UHFFFAOYSA-N 1 3 212.337 1.097 40 0 BDABHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccncc1)C2 ZINC000020524007 344457025 /nfs/dbraw/zinc/45/70/25/344457025.db2.gz MHLIXRSHBGDEJK-AGUYFDCRSA-N 1 3 231.343 1.796 40 0 BDABHO CCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918914 358100265 /nfs/dbraw/zinc/10/02/65/358100265.db2.gz SVNWUWKSUKFMLK-CYBMUJFWSA-N 1 3 225.380 1.014 40 0 BDABHO CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407259 384135781 /nfs/dbraw/zinc/13/57/81/384135781.db2.gz KEBPBVLTDLEJFZ-SRVKXCTJSA-N 1 3 241.379 1.055 40 0 BDABHO C[C@H]([NH3+])CN(CCN(C)C)Cc1ccccc1 ZINC000096523924 385271745 /nfs/dbraw/zinc/27/17/45/385271745.db2.gz KFHPBHBZPAETEQ-ZDUSSCGKSA-N 1 3 235.375 1.397 40 0 BDABHO COc1ccc(CCC[N@@H+]2CC[C@H](N)C2)cc1 ZINC000096523485 175089884 /nfs/dbraw/zinc/08/98/84/175089884.db2.gz LOPALQJPUHTKSZ-ZDUSSCGKSA-N 1 3 234.343 1.661 40 0 BDABHO COc1ccc(CCC[N@H+]2CC[C@H](N)C2)cc1 ZINC000096523485 175089886 /nfs/dbraw/zinc/08/98/86/175089886.db2.gz LOPALQJPUHTKSZ-ZDUSSCGKSA-N 1 3 234.343 1.661 40 0 BDABHO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000218872202 175110474 /nfs/dbraw/zinc/11/04/74/175110474.db2.gz QSSMZORTYZYQMX-CHWSQXEVSA-N 1 3 220.316 1.665 40 0 BDABHO COc1ccc([C@@H]2CN(C)C[C@H]2C[NH3+])cc1 ZINC000083017747 175183563 /nfs/dbraw/zinc/18/35/63/175183563.db2.gz HKMUZIJDOFHNOP-YPMHNXCESA-N 1 3 220.316 1.299 40 0 BDABHO COc1ccc2nc(C)cc(NCC[NH3+])c2c1 ZINC000222690005 175227644 /nfs/dbraw/zinc/22/76/44/175227644.db2.gz MNBSBIAEGQDHID-UHFFFAOYSA-N 1 3 231.299 1.922 40 0 BDABHO COc1ccccc1CC1(N)CC[NH2+]CC1 ZINC000098213835 175321521 /nfs/dbraw/zinc/32/15/21/175321521.db2.gz SDCLKFZJSKIHJV-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO COc1ccccc1CC1([NH3+])CCNCC1 ZINC000098213835 175321523 /nfs/dbraw/zinc/32/15/23/175321523.db2.gz SDCLKFZJSKIHJV-UHFFFAOYSA-N 1 3 220.316 1.319 40 0 BDABHO [NH3+]Cc1cccc(CN2CCC(O)CC2)c1 ZINC000022168727 487970886 /nfs/dbraw/zinc/97/08/86/487970886.db2.gz FZBAJTZKEDTSPJ-UHFFFAOYSA-N 1 3 220.316 1.102 40 0 BDABHO CC(C)Oc1cccc(C[NH2+]CCN)c1 ZINC000041043337 259318251 /nfs/dbraw/zinc/31/82/51/259318251.db2.gz KAAAKOOLJLTOGG-UHFFFAOYSA-N 1 3 208.305 1.522 40 0 BDABHO CCN1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495888 259326013 /nfs/dbraw/zinc/32/60/13/259326013.db2.gz GROOQHFRWPFWFN-UONOGXRCSA-N 1 3 218.344 1.898 40 0 BDABHO C[C@H]1C[C@H](C)CN(C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020701 369372250 /nfs/dbraw/zinc/37/22/50/369372250.db2.gz SRGZXIQVTVCGOL-GVXVVHGQSA-N 1 3 226.364 1.077 40 0 BDABHO CCCN1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019257295 169203562 /nfs/dbraw/zinc/20/35/62/169203562.db2.gz OASXFGBPKVGFJK-OAHLLOKOSA-N 1 3 247.386 1.714 40 0 BDABHO [NH3+]CCOC1CCN(Cc2ccccc2)CC1 ZINC000079390679 384133812 /nfs/dbraw/zinc/13/38/12/384133812.db2.gz YTMWBCFXXPYBMI-UHFFFAOYSA-N 1 3 234.343 1.626 40 0 BDABHO CC(C)N(C[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)N ZINC000079407313 384135914 /nfs/dbraw/zinc/13/59/14/384135914.db2.gz MNSZNYKZAOELMJ-RYUDHWBXSA-N 1 3 241.379 1.055 40 0 BDABHO CC(C)N(C[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](C)N ZINC000079407313 384135915 /nfs/dbraw/zinc/13/59/15/384135915.db2.gz MNSZNYKZAOELMJ-RYUDHWBXSA-N 1 3 241.379 1.055 40 0 BDABHO C[NH+](C)CCCOc1ccccc1CN ZINC000011884329 384301533 /nfs/dbraw/zinc/30/15/33/384301533.db2.gz CWYPVGNYPWEJLK-UHFFFAOYSA-N 1 3 208.305 1.476 40 0 BDABHO C[C@@H]1CCCN(Cc2c(C[NH3+])cnn2C)C1 ZINC000408717219 384705155 /nfs/dbraw/zinc/70/51/55/384705155.db2.gz XAMLGUKIBATUAJ-SNVBAGLBSA-N 1 3 222.336 1.111 40 0 BDABHO CC[C@@H]([NH3+])c1cnc(N2CCNCC2)cc1C ZINC000072223584 385116366 /nfs/dbraw/zinc/11/63/66/385116366.db2.gz POEYSSLIKSJDJL-GFCCVEGCSA-N 1 3 234.347 1.209 40 0 BDABHO COc1c(Br)cc(C[NH3+])cc1CN ZINC000225722766 388842952 /nfs/dbraw/zinc/84/29/52/388842952.db2.gz VEYAPRKIAHVFBG-UHFFFAOYSA-N 1 3 245.120 1.375 40 0 BDABHO CC[C@]1(C)NC(=N)NC(=[NH2+])N1c1ccc(C)cc1 ZINC000003074581 132315511 /nfs/dbraw/zinc/31/55/11/132315511.db2.gz HSZXJTXNPGKAHV-CYBMUJFWSA-N 1 3 245.330 1.571 40 0 BDABHO NC[C@H](CO)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210326 259316659 /nfs/dbraw/zinc/31/66/59/259316659.db2.gz GIZJALXYCUENPH-KGLIPLIRSA-N 1 3 234.343 1.391 40 0 BDABHO [NH3+]C[C@H](CO)[C@H](c1ccccc1)N1CCCC1 ZINC000072210326 259316660 /nfs/dbraw/zinc/31/66/60/259316660.db2.gz GIZJALXYCUENPH-KGLIPLIRSA-N 1 3 234.343 1.391 40 0 BDABHO C1CNCCSCCCSCC[NH2+]C1 ZINC000005641174 342767326 /nfs/dbraw/zinc/76/73/26/342767326.db2.gz AOLQEQNGWBXONC-UHFFFAOYSA-N 1 3 234.434 1.426 40 0 BDABHO CN1CCC[C@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687718 259326022 /nfs/dbraw/zinc/32/60/22/259326022.db2.gz USIKDRAAQPBJKJ-AWEZNQCLSA-N 1 3 229.327 1.501 40 0 BDABHO CC[C@@H](C)[C@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083657 259327880 /nfs/dbraw/zinc/32/78/80/259327880.db2.gz VAHUKHUVWIYUCA-ZIAGYGMSSA-N 1 3 241.423 1.633 40 0 BDABHO COC[C@@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000396018106 343810853 /nfs/dbraw/zinc/81/08/53/343810853.db2.gz QXLKBMCYPBXAPU-LBPRGKRZSA-N 1 3 212.337 1.239 40 0 BDABHO COC[C@@H]1CCCC[N@H+]1C1CCNCC1 ZINC000396018106 343810855 /nfs/dbraw/zinc/81/08/55/343810855.db2.gz QXLKBMCYPBXAPU-LBPRGKRZSA-N 1 3 212.337 1.239 40 0 BDABHO COC[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000396018106 343810857 /nfs/dbraw/zinc/81/08/57/343810857.db2.gz QXLKBMCYPBXAPU-LBPRGKRZSA-N 1 3 212.337 1.239 40 0 BDABHO CC(C)N1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000036190204 343969881 /nfs/dbraw/zinc/96/98/81/343969881.db2.gz QFMABRIWXQTFSB-ZDUSSCGKSA-N 1 3 225.380 1.155 40 0 BDABHO Cc1nn(C)c(C)c1CN(C)CCCC[NH3+] ZINC000096523774 180335433 /nfs/dbraw/zinc/33/54/33/180335433.db2.gz FJGKTUUTWNNLPF-UHFFFAOYSA-N 1 3 224.352 1.208 40 0 BDABHO COC[C@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000396018104 359799506 /nfs/dbraw/zinc/79/95/06/359799506.db2.gz QXLKBMCYPBXAPU-GFCCVEGCSA-N 1 3 212.337 1.239 40 0 BDABHO COC[C@H]1CCCC[N@H+]1C1CCNCC1 ZINC000396018104 359799510 /nfs/dbraw/zinc/79/95/10/359799510.db2.gz QXLKBMCYPBXAPU-GFCCVEGCSA-N 1 3 212.337 1.239 40 0 BDABHO COC[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000396018104 359799512 /nfs/dbraw/zinc/79/95/12/359799512.db2.gz QXLKBMCYPBXAPU-GFCCVEGCSA-N 1 3 212.337 1.239 40 0 BDABHO CCCN1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523811 169202499 /nfs/dbraw/zinc/20/24/99/169202499.db2.gz WLQAYNDDFLMKFY-CYBMUJFWSA-N 1 3 227.396 1.387 40 0 BDABHO CC(C)N(C(=O)CN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178246 384282771 /nfs/dbraw/zinc/28/27/71/384282771.db2.gz CNKYAUDRFAQNBC-TXEJJXNPSA-N 1 3 241.379 1.055 40 0 BDABHO CCCCN1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523822 385268924 /nfs/dbraw/zinc/26/89/24/385268924.db2.gz BZVAWLABGDCPDD-AWEZNQCLSA-N 1 3 241.423 1.778 40 0 BDABHO CCCCN1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000096523761 385269333 /nfs/dbraw/zinc/26/93/33/385269333.db2.gz CFXROVACEFESGV-CQSZACIVSA-N 1 3 241.423 1.778 40 0 BDABHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253603495 387156844 /nfs/dbraw/zinc/15/68/44/387156844.db2.gz GLFBPDDMMVIVQJ-DGCLKSJQSA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN ZINC000253603495 387156847 /nfs/dbraw/zinc/15/68/47/387156847.db2.gz GLFBPDDMMVIVQJ-DGCLKSJQSA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN ZINC000253603495 387156851 /nfs/dbraw/zinc/15/68/51/387156851.db2.gz GLFBPDDMMVIVQJ-DGCLKSJQSA-N 1 3 204.317 1.713 40 0 BDABHO C[C@@H](NCCN(C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863011 397976338 /nfs/dbraw/zinc/97/63/38/397976338.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 1 3 239.407 1.401 40 0 BDABHO C[C@@H](NCCN(C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863011 397976343 /nfs/dbraw/zinc/97/63/43/397976343.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 1 3 239.407 1.401 40 0 BDABHO CN1CCC[C@H]1c1n[nH]c2c1[C@@H]([NH3+])CCC2 ZINC000096515794 173058316 /nfs/dbraw/zinc/05/83/16/173058316.db2.gz ZVFZUUAVIAYGQA-WPRPVWTQSA-N 1 3 220.320 1.513 40 0 BDABHO C[NH2+]CCC1CCN(Cc2cccnc2)CC1 ZINC000015424025 173342926 /nfs/dbraw/zinc/34/29/26/173342926.db2.gz XUHDADWPUKASPI-UHFFFAOYSA-N 1 3 233.359 1.903 40 0 BDABHO COc1cccc(CCC[N@@H+]2CCCNCC2)c1 ZINC000041301836 175251485 /nfs/dbraw/zinc/25/14/85/175251485.db2.gz MSOIRQXKEDQAJH-UHFFFAOYSA-N 1 3 248.370 1.923 40 0 BDABHO COc1cccc(CCC[N@H+]2CCCNCC2)c1 ZINC000041301836 175251487 /nfs/dbraw/zinc/25/14/87/175251487.db2.gz MSOIRQXKEDQAJH-UHFFFAOYSA-N 1 3 248.370 1.923 40 0 BDABHO