smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1[C@H]2C=C(c3ccc(Cl)cc3)C[C@@H]1CC2 ZINC000000022173 173205860 /nfs/dbraw/zinc/20/58/60/173205860.db2.gz HOMPRVJHQIRSOD-KGLIPLIRSA-N 1 0 233.742 3.590 40 0 BHABRO CC[n+]1c(C)sc2sc3ccccc3c21 ZINC000000370080 219857282 /nfs/dbraw/zinc/85/72/82/219857282.db2.gz MTYYUCFRPWZORP-UHFFFAOYSA-N 1 0 234.369 3.732 40 0 BHABRO Cc1[nH+]c2cc(C)ccn2c1NC1CCCCC1 ZINC000000881965 383884370 /nfs/dbraw/zinc/88/43/70/383884370.db2.gz IBQUNDMMHJFCRV-UHFFFAOYSA-N 1 0 243.354 3.696 40 0 BHABRO CC[NH+](CC)CC12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000001225472 342698148 /nfs/dbraw/zinc/69/81/48/342698148.db2.gz VTCLPQXNXHFEKX-PJPHBNEVSA-N 1 0 235.415 3.935 40 0 BHABRO Cc1c(Cl)cccc1NC1=NCCCS1 ZINC000001440136 346046832 /nfs/dbraw/zinc/04/68/32/346046832.db2.gz HYHBMGHUROQVPH-UHFFFAOYSA-N 1 0 240.759 3.553 40 0 BHABRO C[NH+](C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000001481867 172535065 /nfs/dbraw/zinc/53/50/65/172535065.db2.gz YEJZJVJJPVZXGX-MRXNPFEDSA-N 1 0 225.335 3.532 40 0 in-man BHABRO c1ccc(C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000001481918 183387407 /nfs/dbraw/zinc/38/74/07/183387407.db2.gz FYOWWXMGDATDQY-UHFFFAOYSA-N 1 0 229.367 3.942 40 0 in-man BHABRO CCC(C[NH3+])=C(c1ccccc1)c1ccccc1 ZINC000001482062 383903214 /nfs/dbraw/zinc/90/32/14/383903214.db2.gz WNKCJOWTKXGERE-UHFFFAOYSA-N 1 0 237.346 3.857 40 0 in-man BHABRO C([NH+]1CCCC1)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000001516615 368064486 /nfs/dbraw/zinc/06/44/86/368064486.db2.gz FTQUSBQTCQOGLU-PJPHBNEVSA-N 1 0 233.399 3.689 40 0 BHABRO Cc1ccccc1[C@H](c1ccccc1)[NH+](C)C ZINC000001555247 179346253 /nfs/dbraw/zinc/34/62/53/179346253.db2.gz FXBIEWZVOUNCDC-INIZCTEOSA-N 1 0 225.335 3.646 40 0 BHABRO C[N@@H+](CCc1ccccn1)CCC1CCCCC1 ZINC000001562279 172784965 /nfs/dbraw/zinc/78/49/65/172784965.db2.gz XWWLVOGAFPPCTM-UHFFFAOYSA-N 1 0 246.398 3.526 40 0 BHABRO CCCCCCSC[NH+](CC)CC ZINC000001568274 342703482 /nfs/dbraw/zinc/70/34/82/342703482.db2.gz URAOPIZYVCFMGQ-UHFFFAOYSA-N 1 0 203.395 3.599 40 0 BHABRO Cc1cc2cc(C3CC[NH2+]CC3)oc2cc1C ZINC000001569291 178294076 /nfs/dbraw/zinc/29/40/76/178294076.db2.gz UFGTZUKOBHLAAC-UHFFFAOYSA-N 1 0 229.323 3.517 40 0 BHABRO Cc1ccc[n+](C[C@@H](C)c2ccccc2C)c1C ZINC000001579137 179333738 /nfs/dbraw/zinc/33/37/38/179333738.db2.gz XFLXZEAWHPKTOR-OAHLLOKOSA-N 1 0 240.370 3.703 40 0 BHABRO CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000001585340 342704597 /nfs/dbraw/zinc/70/45/97/342704597.db2.gz XDFBYVHAQLXSTC-HNNXBMFYSA-N 1 0 217.356 3.841 40 0 BHABRO CC(C)(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001585341 347695824 /nfs/dbraw/zinc/69/58/24/347695824.db2.gz JCOVUSCGLXPGCX-UHFFFAOYSA-N 1 0 231.383 3.945 40 0 BHABRO C[n+]1cc(-c2ccccc2)cc(-c2ccccc2)c1 ZINC000001585363 342704459 /nfs/dbraw/zinc/70/44/59/342704459.db2.gz FZWBBKNXGWMFHT-UHFFFAOYSA-N 1 0 246.333 3.845 40 0 BHABRO C1S[C@@H]2CCCC[C@@H]2[N@@H+]1C1CCCCC1 ZINC000001588850 188274279 /nfs/dbraw/zinc/27/42/79/188274279.db2.gz TZSFURNFVAKOAH-QWHCGFSZSA-N 1 0 225.401 3.637 40 0 BHABRO CCCC[C@H]1CCCC[N@@H+]1CSCC ZINC000001592265 169014185 /nfs/dbraw/zinc/01/41/85/169014185.db2.gz KUGLYLDXKDHJTM-LBPRGKRZSA-N 1 0 215.406 3.742 40 0 BHABRO CC(C)C(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001593307 383909337 /nfs/dbraw/zinc/90/93/37/383909337.db2.gz SHBOGGPYYORYMK-UHFFFAOYSA-N 1 0 239.362 3.587 40 0 BHABRO CCCC(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001593308 342704896 /nfs/dbraw/zinc/70/48/96/342704896.db2.gz PGRQPLVISRDXLJ-UHFFFAOYSA-N 1 0 239.362 3.732 40 0 BHABRO C[NH+](C)CC=C(c1ccccc1)c1ccccc1 ZINC000001593540 383909882 /nfs/dbraw/zinc/90/98/82/383909882.db2.gz DSABYSFEBZNURG-UHFFFAOYSA-N 1 0 237.346 3.680 40 0 BHABRO Cc1ccc(C[C@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000001594024 178652143 /nfs/dbraw/zinc/65/21/43/178652143.db2.gz MAKXRCWJWUNVCO-KRWDZBQOSA-N 1 0 239.362 3.854 40 0 BHABRO c1ccc(C[n+]2ccc(-c3ccccc3)cc2)cc1 ZINC000001597937 383910317 /nfs/dbraw/zinc/91/03/17/383910317.db2.gz QHBDHYKLHFDJIG-UHFFFAOYSA-N 1 0 246.333 3.689 40 0 BHABRO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCCC1 ZINC000001599693 384408040 /nfs/dbraw/zinc/40/80/40/384408040.db2.gz ITDJFSFEBFQPQJ-UHFFFAOYSA-N 1 0 235.330 3.852 40 0 BHABRO CC(C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000001600229 167092742 /nfs/dbraw/zinc/09/27/42/167092742.db2.gz DAEFOQDMAOMQFU-UHFFFAOYSA-N 1 0 225.335 3.774 40 0 BHABRO CC[NH+](CC)CCOc1cc(C(C)C)ccc1C ZINC000001610587 342705712 /nfs/dbraw/zinc/70/57/12/342705712.db2.gz QFMPZSJMNDPONY-UHFFFAOYSA-N 1 0 249.398 3.839 40 0 BHABRO C[NH+](C)C12CCC(c3ccccc31)c1ccccc12 ZINC000001611613 383913088 /nfs/dbraw/zinc/91/30/88/383913088.db2.gz HQJJYLBAVNHKHU-UHFFFAOYSA-N 1 0 249.357 3.731 40 0 BHABRO C(=C/c1cccs1)\C[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000001615846 383913439 /nfs/dbraw/zinc/91/34/39/383913439.db2.gz NOUVOGYXXQBAOA-PQSUYGEYSA-N 1 0 247.407 3.883 40 0 BHABRO CCC[C@@H](C)[C@]1(CC)[NH2+]C(C)(C)C[C@H](C)O1 ZINC000001619089 169374567 /nfs/dbraw/zinc/37/45/67/169374567.db2.gz FEJBUWLOTWTHLL-MBNYWOFBSA-N 1 0 227.392 3.706 40 0 BHABRO CCCCCC[C@H](O)CC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000001628928 342706465 /nfs/dbraw/zinc/70/64/65/342706465.db2.gz XMQISTWKAYJRTI-KKUMJFAQSA-N 1 0 241.419 3.629 40 0 BHABRO CCCCCC[C@@H](O)CC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000001628929 342706591 /nfs/dbraw/zinc/70/65/91/342706591.db2.gz XMQISTWKAYJRTI-SOUVJXGZSA-N 1 0 241.419 3.629 40 0 BHABRO C[NH+](C)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001632692 383914357 /nfs/dbraw/zinc/91/43/57/383914357.db2.gz GGRPTGXDAIAQFL-QGZVFWFLSA-N 1 0 239.362 3.575 40 0 BHABRO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000001634177 170025435 /nfs/dbraw/zinc/02/54/35/170025435.db2.gz KMXYENPKWAYWQL-QGZVFWFLSA-N 1 0 237.346 3.654 40 0 BHABRO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000001634179 170025795 /nfs/dbraw/zinc/02/57/95/170025795.db2.gz KMXYENPKWAYWQL-KRWDZBQOSA-N 1 0 237.346 3.654 40 0 BHABRO Clc1ccc[n+]2c(-c3ccccc3)csc12 ZINC000001648639 342707045 /nfs/dbraw/zinc/70/70/45/342707045.db2.gz PNPGDNLYRJEJHS-UHFFFAOYSA-N 1 0 246.742 3.807 40 0 BHABRO c1ccc2c(c1)sc1sc3c([n+]21)CCCC3 ZINC000001648645 383914208 /nfs/dbraw/zinc/91/42/08/383914208.db2.gz DPKXRDYNSNYJLP-UHFFFAOYSA-N 1 0 246.380 3.580 40 0 BHABRO Cc1cccc2c1Sc1cccc[n+]1C=C2C ZINC000001653677 168132717 /nfs/dbraw/zinc/13/27/17/168132717.db2.gz TZPAFIKXUDKBBE-UHFFFAOYSA-N 1 0 240.351 3.765 40 0 BHABRO c1ccc2c(c1)[nH]c1c2C[N@H+](C2CCCCC2)C1 ZINC000001661442 383918343 /nfs/dbraw/zinc/91/83/43/383918343.db2.gz GAFCUPWPKTVQNA-UHFFFAOYSA-N 1 0 240.350 3.816 40 0 BHABRO CC[S+]=C1C=C(N2CCCC2)CC(C)(C)C1 ZINC000001662189 170624987 /nfs/dbraw/zinc/62/49/87/170624987.db2.gz FLSVVYDLIJIJJG-UHFFFAOYSA-N 1 0 238.420 3.691 40 0 BHABRO C[NH+](C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001664078 172521846 /nfs/dbraw/zinc/52/18/46/172521846.db2.gz YEJZJVJJPVZXGX-INIZCTEOSA-N 1 0 225.335 3.532 40 0 in-man BHABRO Cc1csc(C)[n+]1CCC1CCCCC1 ZINC000001665289 179767971 /nfs/dbraw/zinc/76/79/71/179767971.db2.gz GUIWTTPABOWEAT-UHFFFAOYSA-N 1 0 224.393 3.623 40 0 BHABRO c1ccc([C@H]2CCC[NH2+][C@H]2c2ccccc2)cc1 ZINC000001665761 183430989 /nfs/dbraw/zinc/43/09/89/183430989.db2.gz OSSWEMSBSGRLRT-SJORKVTESA-N 1 0 237.346 3.895 40 0 BHABRO c1ccc([C@@H]2[NH2+]CCC[C@H]2c2ccccc2)cc1 ZINC000001665762 383917566 /nfs/dbraw/zinc/91/75/66/383917566.db2.gz OSSWEMSBSGRLRT-IRXDYDNUSA-N 1 0 237.346 3.895 40 0 BHABRO c1ccc([C@H]2CCC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000001665763 383918631 /nfs/dbraw/zinc/91/86/31/383918631.db2.gz OSSWEMSBSGRLRT-IAGOWNOFSA-N 1 0 237.346 3.895 40 0 BHABRO c1ccc([C@@H]2CCC[NH2+][C@@H]2c2ccccc2)cc1 ZINC000001665764 383916945 /nfs/dbraw/zinc/91/69/45/383916945.db2.gz OSSWEMSBSGRLRT-DLBZAZTESA-N 1 0 237.346 3.895 40 0 BHABRO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(C)cc1 ZINC000001665765 173425216 /nfs/dbraw/zinc/42/52/16/173425216.db2.gz XMHIYXGFGZFNQM-KRWDZBQOSA-N 1 0 239.362 3.807 40 0 BHABRO CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001665858 170145910 /nfs/dbraw/zinc/14/59/10/170145910.db2.gz IGFZMQXEKIZPDR-INIZCTEOSA-N 1 0 225.335 3.580 40 0 in-vitro BHABRO CC[N@H+](C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001665860 342707518 /nfs/dbraw/zinc/70/75/18/342707518.db2.gz MJDUDHAPJCKZPF-KRWDZBQOSA-N 1 0 239.362 3.922 40 0 BHABRO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000001665861 170162331 /nfs/dbraw/zinc/16/23/31/170162331.db2.gz JZIYAQBNKMDCJS-QGZVFWFLSA-N 1 0 239.362 3.888 40 0 BHABRO CC(C)[NH2+]CC[C@H](C)Nc1ccc(Cl)cc1 ZINC000001666884 167108528 /nfs/dbraw/zinc/10/85/28/167108528.db2.gz LXGDOCUYWOPMIN-NSHDSACASA-N 1 0 240.778 3.529 40 0 BHABRO CC(C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001667014 167135554 /nfs/dbraw/zinc/13/55/54/167135554.db2.gz FBRJTEBLJRHAQX-KRWDZBQOSA-N 1 0 239.362 3.968 40 0 BHABRO C[NH2+][C@@H](CC1CCCCC1)c1ccc(OC)cc1 ZINC000001667187 383918535 /nfs/dbraw/zinc/91/85/35/383918535.db2.gz BSEKSUVWOIJNNJ-INIZCTEOSA-N 1 0 247.382 3.926 40 0 BHABRO Cc1cc2ccccc2c[n+]1CCc1ccccc1 ZINC000001667624 178296803 /nfs/dbraw/zinc/29/68/03/178296803.db2.gz GOWRSEHWJIBIIH-UHFFFAOYSA-N 1 0 248.349 3.678 40 0 BHABRO C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000001668358 384430860 /nfs/dbraw/zinc/43/08/60/384430860.db2.gz UITPYGRUNBYWBN-AWEZNQCLSA-N 1 0 203.329 3.527 40 0 BHABRO Cc1ccc([C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000001668843 383918065 /nfs/dbraw/zinc/91/80/65/383918065.db2.gz NIUMGQZLHANBMM-QGZVFWFLSA-N 1 0 239.362 3.840 40 0 BHABRO CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001669609 169279256 /nfs/dbraw/zinc/27/92/56/169279256.db2.gz QDJKYFSVYJISOP-KRWDZBQOSA-N 1 0 239.362 3.970 40 0 BHABRO C[C@H]1CCCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000001671191 177070606 /nfs/dbraw/zinc/07/06/06/177070606.db2.gz RLMINDYHWVAVES-AWEZNQCLSA-N 1 0 245.366 3.524 40 0 BHABRO C(=C/[n+]1ccc2ccccc2c1)\c1ccccc1 ZINC000001673071 166226685 /nfs/dbraw/zinc/22/66/85/166226685.db2.gz OCZKLTSNIGUSGX-ZRDIBKRKSA-N 1 0 232.306 3.755 40 0 BHABRO CCC(CC)(CC[NH+](C)C)c1ccccc1 ZINC000001680300 168318498 /nfs/dbraw/zinc/31/84/98/168318498.db2.gz SEHGQVTYKSPILM-UHFFFAOYSA-N 1 0 219.372 3.696 40 0 BHABRO CCCCCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682890 342708745 /nfs/dbraw/zinc/70/87/45/342708745.db2.gz VIYGLKATUIGCMA-OKILXGFUSA-N 1 0 209.377 3.689 40 0 BHABRO CCCCCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000001682891 342708739 /nfs/dbraw/zinc/70/87/39/342708739.db2.gz VIYGLKATUIGCMA-ZIAGYGMSSA-N 1 0 209.377 3.689 40 0 BHABRO CCCCCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000001682892 342708846 /nfs/dbraw/zinc/70/88/46/342708846.db2.gz VIYGLKATUIGCMA-KBPBESRZSA-N 1 0 209.377 3.689 40 0 BHABRO CC(C)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000001686740 342709160 /nfs/dbraw/zinc/70/91/60/342709160.db2.gz AXISIFQFQAODOV-UHFFFAOYSA-N 1 0 217.356 3.796 40 0 BHABRO c1ccc2c(c1)cccc2C[NH+]1CCCCC1 ZINC000001686741 183437040 /nfs/dbraw/zinc/43/70/40/183437040.db2.gz LDGDDRDPNUGELX-UHFFFAOYSA-N 1 0 225.335 3.826 40 0 BHABRO CCCCC(=O)[C@](CC)(c1ccccc1)[NH+](C)C ZINC000001686786 342709219 /nfs/dbraw/zinc/70/92/19/342709219.db2.gz KTVSWWXXNZBJFH-INIZCTEOSA-N 1 0 247.382 3.613 40 0 BHABRO CCCCC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000001687256 346464334 /nfs/dbraw/zinc/46/43/34/346464334.db2.gz ORWPBXFXCCFWPK-LBPRGKRZSA-N 1 0 211.736 3.920 40 0 BHABRO c1ccc(C(c2ccccc2)[NH+]2CCCC2)cc1 ZINC000001687432 183387529 /nfs/dbraw/zinc/38/75/29/183387529.db2.gz DJMXWKUBTGMKCG-UHFFFAOYSA-N 1 0 237.346 3.872 40 0 BHABRO CCCC[NH+](CCCC)CCc1ccc(O)cc1 ZINC000001688812 383923128 /nfs/dbraw/zinc/92/31/28/383923128.db2.gz MGDDYLPGHGZHIO-UHFFFAOYSA-N 1 0 249.398 3.837 40 0 BHABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccccc1 ZINC000001702440 383925798 /nfs/dbraw/zinc/92/57/98/383925798.db2.gz KAXCIUSDMDHFLB-MRXNPFEDSA-N 1 0 249.398 3.622 40 0 BHABRO C[C@H](c1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000001703733 177031511 /nfs/dbraw/zinc/03/15/11/177031511.db2.gz QTORVUXUXNXPJJ-GFCCVEGCSA-N 1 0 228.339 3.715 40 0 BHABRO Cc1sc2ccc(-c3ccccc3)cc2[n+]1C ZINC000001711795 342710773 /nfs/dbraw/zinc/71/07/73/342710773.db2.gz OSEVZUAJTJWSSO-UHFFFAOYSA-N 1 0 240.351 3.701 40 0 BHABRO C(=C/c1ccccc1)\C[n+]1cccc2ccccc21 ZINC000001718725 188100256 /nfs/dbraw/zinc/10/02/56/188100256.db2.gz FKOUJJKDQFTKNZ-UXBLZVDNSA-N 1 0 246.333 3.841 40 0 BHABRO ClC1(Cl)[C@@H]2CCCC[C@@]21N1CCCCC1 ZINC000001725750 342711440 /nfs/dbraw/zinc/71/14/40/342711440.db2.gz ZOXOJTBNXKKMIC-GHMZBOCLSA-N 1 0 248.197 3.589 40 0 BHABRO CCC[NH2+][C@@H](Cc1ccccc1)c1ccco1 ZINC000001737690 169279465 /nfs/dbraw/zinc/27/94/65/169279465.db2.gz KSDHOBPTXOROPO-AWEZNQCLSA-N 1 0 229.323 3.563 40 0 BHABRO c1ccc(C(c2ccccc2)[n+]2ccccc2)cc1 ZINC000001744521 183387887 /nfs/dbraw/zinc/38/78/87/183387887.db2.gz NOIXUZSKNIAJKZ-UHFFFAOYSA-N 1 0 246.333 3.612 40 0 BHABRO c1cn(CCC[NH+]2CCCCC2)c2ccccc12 ZINC000001758665 383936379 /nfs/dbraw/zinc/93/63/79/383936379.db2.gz KYSDJOCQFDSYMR-UHFFFAOYSA-N 1 0 242.366 3.517 40 0 BHABRO Cc1c2[nH]c3ccccc3c2cc2c1CC[NH+]=C2 ZINC000001760791 342712239 /nfs/dbraw/zinc/71/22/39/342712239.db2.gz HEIREDMIGONFIR-UHFFFAOYSA-N 1 0 234.302 3.605 40 0 BHABRO CC(C)c1ccc([C@H]2C3CC[NH+]2CC3)cc1 ZINC000001865618 342713140 /nfs/dbraw/zinc/71/31/40/342713140.db2.gz RQWBAPIJMLPKCL-HNNXBMFYSA-N 1 0 215.340 3.577 40 0 BHABRO CC(C)[NH+](CCc1c[nH]c2ccccc12)C(C)C ZINC000001996369 187926245 /nfs/dbraw/zinc/92/62/45/187926245.db2.gz ZRVAAGAZUWXRIP-UHFFFAOYSA-N 1 0 244.382 3.829 40 0 in-vitro BHABRO CCC[NH+](CCC)CCc1c[nH]c2ccccc12 ZINC000002018455 169147141 /nfs/dbraw/zinc/14/71/41/169147141.db2.gz BOOQTIHIKDDPRW-UHFFFAOYSA-N 1 0 244.382 3.832 40 0 in-vitro BHABRO CC(C)c1ccc([C@@H]2C3CC[NH+]2CC3)cc1 ZINC000002027837 167615452 /nfs/dbraw/zinc/61/54/52/167615452.db2.gz RQWBAPIJMLPKCL-OAHLLOKOSA-N 1 0 215.340 3.577 40 0 BHABRO CCC[NH2+][C@H](Cc1ccccc1)c1ccco1 ZINC000002032627 169289778 /nfs/dbraw/zinc/28/97/78/169289778.db2.gz KSDHOBPTXOROPO-CQSZACIVSA-N 1 0 229.323 3.563 40 0 BHABRO CC(C)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000002506630 383965590 /nfs/dbraw/zinc/96/55/90/383965590.db2.gz KJRIVAFIKUXDBL-QGZVFWFLSA-N 1 0 239.362 3.802 40 0 BHABRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000002575971 387849798 /nfs/dbraw/zinc/84/97/98/387849798.db2.gz SKSDYYVUOGKGCR-LBPRGKRZSA-N 1 0 229.298 3.677 40 0 BHABRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000002575972 383978069 /nfs/dbraw/zinc/97/80/69/383978069.db2.gz LCMHOUMRBZARCR-AWEZNQCLSA-N 1 0 225.335 3.846 40 0 BHABRO [NH3+]CCc1ccc(/C=C/C2CCCCC2)cc1 ZINC000002599336 383981009 /nfs/dbraw/zinc/98/10/09/383981009.db2.gz WLYDHKGNJKKYEZ-VOTSOKGWSA-N 1 0 229.367 3.781 40 0 BHABRO [NH3+]CCc1ccc(CCC2CCCCC2)cc1 ZINC000002599337 181411973 /nfs/dbraw/zinc/41/19/73/181411973.db2.gz IFWGVWBAKRWCQH-UHFFFAOYSA-N 1 0 231.383 3.701 40 0 BHABRO CCCCc1[nH+]c2ccccc2c(N)c1CC ZINC000003010022 169028105 /nfs/dbraw/zinc/02/81/05/169028105.db2.gz HFFYPWXMAFUNGG-UHFFFAOYSA-N 1 0 228.339 3.722 40 0 BHABRO CCC[n+]1c(C)sc2c1ccc1c2CCCC1 ZINC000003043102 187639704 /nfs/dbraw/zinc/63/97/04/187639704.db2.gz AIOAEQSZTSTQQI-UHFFFAOYSA-N 1 0 246.399 3.786 40 0 BHABRO CCn1cc(C[NH+]2CCCCC2)c2ccccc21 ZINC000003084305 172162585 /nfs/dbraw/zinc/16/25/85/172162585.db2.gz BXBZDQORQCJTGX-UHFFFAOYSA-N 1 0 242.366 3.647 40 0 BHABRO Cl/C(=C\C=[N+]1CCCCC1)c1ccccc1 ZINC000003126040 371880418 /nfs/dbraw/zinc/88/04/18/371880418.db2.gz ZKOOPPQQFLNIRT-ZROIWOOFSA-N 1 0 234.750 3.534 40 0 BHABRO CCC[C@@H]1C[N@@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000003162922 385196364 /nfs/dbraw/zinc/19/63/64/385196364.db2.gz YOJMHIPQKWYITI-SWLSCSKDSA-N 1 0 219.372 3.751 40 0 BHABRO C[NH+](C)C[C@H]1CCCCCCCCCCC1=O ZINC000003593489 172492758 /nfs/dbraw/zinc/49/27/58/172492758.db2.gz SLKHXYLYZYHQIK-CQSZACIVSA-N 1 0 239.403 3.648 40 0 BHABRO C[NH+](C)C[C@@H]1CCCCCCCCCCC1=O ZINC000003593490 384016887 /nfs/dbraw/zinc/01/68/87/384016887.db2.gz SLKHXYLYZYHQIK-AWEZNQCLSA-N 1 0 239.403 3.648 40 0 BHABRO C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000003638067 384864163 /nfs/dbraw/zinc/86/41/63/384864163.db2.gz UITPYGRUNBYWBN-CQSZACIVSA-N 1 0 203.329 3.527 40 0 BHABRO C[C@H]([NH3+])c1ccc(C2CCCCC2)cc1 ZINC000003705361 342736987 /nfs/dbraw/zinc/73/69/87/342736987.db2.gz OKHUAJLXSDHXCS-NSHDSACASA-N 1 0 203.329 3.754 40 0 BHABRO C[C@@H]([NH3+])c1ccc(C2CCCCC2)cc1 ZINC000003705362 175817257 /nfs/dbraw/zinc/81/72/57/175817257.db2.gz OKHUAJLXSDHXCS-LLVKDONJSA-N 1 0 203.329 3.754 40 0 BHABRO c1ccc(-c2ccccc2[C@H]2CCC[NH2+]2)cc1 ZINC000003732271 183380528 /nfs/dbraw/zinc/38/05/28/183380528.db2.gz MJXDNEKYERUFPF-MRXNPFEDSA-N 1 0 223.319 3.778 40 0 BHABRO c1ccc(-c2ccccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000003732272 183380767 /nfs/dbraw/zinc/38/07/67/183380767.db2.gz MJXDNEKYERUFPF-INIZCTEOSA-N 1 0 223.319 3.778 40 0 BHABRO c1ccc(Oc2ccccc2[C@H]2CCC[NH2+]2)cc1 ZINC000003732357 384026308 /nfs/dbraw/zinc/02/63/08/384026308.db2.gz YBBFRARAGUJNOJ-OAHLLOKOSA-N 1 0 239.318 3.903 40 0 BHABRO c1ccc(Oc2ccccc2[C@@H]2CCC[NH2+]2)cc1 ZINC000003732358 187756913 /nfs/dbraw/zinc/75/69/13/187756913.db2.gz YBBFRARAGUJNOJ-HNNXBMFYSA-N 1 0 239.318 3.903 40 0 BHABRO c1ccc(Oc2cccc([C@H]3CCC[NH2+]3)c2)cc1 ZINC000003732372 188275860 /nfs/dbraw/zinc/27/58/60/188275860.db2.gz XTMLHQBXJIIWOX-MRXNPFEDSA-N 1 0 239.318 3.903 40 0 BHABRO c1ccc(Oc2cccc([C@@H]3CCC[NH2+]3)c2)cc1 ZINC000003732373 384026170 /nfs/dbraw/zinc/02/61/70/384026170.db2.gz XTMLHQBXJIIWOX-INIZCTEOSA-N 1 0 239.318 3.903 40 0 BHABRO CC1=C[C@@H](C)[C@H](C[NH2+]Cc2ccco2)[C@H](C)C1 ZINC000004011596 168125485 /nfs/dbraw/zinc/12/54/85/168125485.db2.gz YHIFVIYJGMJLIA-NFAWXSAZSA-N 1 0 233.355 3.608 40 0 BHABRO CC1=C[C@@H](C)[C@H](C[NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000004011597 168125147 /nfs/dbraw/zinc/12/51/47/168125147.db2.gz YHIFVIYJGMJLIA-IPYPFGDCSA-N 1 0 233.355 3.608 40 0 BHABRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000004240699 136208071 /nfs/dbraw/zinc/20/80/71/136208071.db2.gz SKSDYYVUOGKGCR-GFCCVEGCSA-N 1 0 229.298 3.677 40 0 BHABRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000004240725 136208074 /nfs/dbraw/zinc/20/80/74/136208074.db2.gz UUERSPCNHLAMES-ZDUSSCGKSA-N 1 0 241.334 3.546 40 0 BHABRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000004240727 136208078 /nfs/dbraw/zinc/20/80/78/136208078.db2.gz UUERSPCNHLAMES-CYBMUJFWSA-N 1 0 241.334 3.546 40 0 BHABRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000004240785 136208065 /nfs/dbraw/zinc/20/80/65/136208065.db2.gz LCMHOUMRBZARCR-CQSZACIVSA-N 1 0 225.335 3.846 40 0 BHABRO CC[NH2+]Cc1cccc2c3ccccc3oc21 ZINC000004298823 170128558 /nfs/dbraw/zinc/12/85/58/170128558.db2.gz KLVGHMWNYBQKFX-UHFFFAOYSA-N 1 0 225.291 3.696 40 0 BHABRO CCCC[n+]1c(C)sc2cc(C)ccc21 ZINC000004535108 187639787 /nfs/dbraw/zinc/63/97/87/187639787.db2.gz LUFBBLACPNIDQC-UHFFFAOYSA-N 1 0 220.361 3.606 40 0 BHABRO CCCC[n+]1c(C)sc2ccc(C)cc21 ZINC000004535109 188514698 /nfs/dbraw/zinc/51/46/98/188514698.db2.gz ZPUWKJFRHBAQDT-UHFFFAOYSA-N 1 0 220.361 3.606 40 0 BHABRO C[NH+]1CCC2(CC1)c1ccccc1-c1ccccc12 ZINC000004537018 173002966 /nfs/dbraw/zinc/00/29/66/173002966.db2.gz DOSIANOZYACZAD-UHFFFAOYSA-N 1 0 249.357 3.679 40 0 BHABRO CCC[C@H]1C[N@@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000004725785 169528666 /nfs/dbraw/zinc/52/86/66/169528666.db2.gz YOJMHIPQKWYITI-IUODEOHRSA-N 1 0 219.372 3.751 40 0 BHABRO CCC[C@H]1C[N@@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725786 346251447 /nfs/dbraw/zinc/25/14/47/346251447.db2.gz YOJMHIPQKWYITI-DOMZBBRYSA-N 1 0 219.372 3.751 40 0 BHABRO CCC[C@@H]1C[N@@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725787 169422644 /nfs/dbraw/zinc/42/26/44/169422644.db2.gz YOJMHIPQKWYITI-WFASDCNBSA-N 1 0 219.372 3.751 40 0 BHABRO CC1=C[C@@H](C)[C@H](C[NH+]2CCCCC2)[C@H](C)C1 ZINC000004762737 168124962 /nfs/dbraw/zinc/12/49/62/168124962.db2.gz WMARFJKDMDFXLH-KFWWJZLASA-N 1 0 221.388 3.711 40 0 BHABRO CC1=C[C@@H](C)[C@H](C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000004762739 168124661 /nfs/dbraw/zinc/12/46/61/168124661.db2.gz WMARFJKDMDFXLH-ILXRZTDVSA-N 1 0 221.388 3.711 40 0 BHABRO Cc1ccc(C[NH2+]Cc2ccc(C)s2)s1 ZINC000004775341 346607409 /nfs/dbraw/zinc/60/74/09/346607409.db2.gz UXOIFJUCRJRMBT-UHFFFAOYSA-N 1 0 237.393 3.716 40 0 BHABRO c1cc[n+](C2c3ccccc3-c3ccccc32)cc1 ZINC000004777604 183378104 /nfs/dbraw/zinc/37/81/04/183378104.db2.gz SSECLPKBTDJYNE-UHFFFAOYSA-N 1 0 244.317 3.592 40 0 BHABRO C[C@@H]1CCCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000004791870 176063236 /nfs/dbraw/zinc/06/32/36/176063236.db2.gz RLMINDYHWVAVES-CQSZACIVSA-N 1 0 245.366 3.524 40 0 BHABRO CCCC[NH+](CCCC)[C@@H]1C=CCCC1 ZINC000004901006 384088501 /nfs/dbraw/zinc/08/85/01/384088501.db2.gz LUWVAWLFQADWBK-CQSZACIVSA-N 1 0 209.377 3.997 40 0 BHABRO CCCC[C@@H]1CCCC[N@@H+]1CSCC ZINC000004918471 342754371 /nfs/dbraw/zinc/75/43/71/342754371.db2.gz KUGLYLDXKDHJTM-GFCCVEGCSA-N 1 0 215.406 3.742 40 0 BHABRO C(=C\c1cccs1)\C[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934848 166228426 /nfs/dbraw/zinc/22/84/26/166228426.db2.gz NOUVOGYXXQBAOA-NVHSALIHSA-N 1 0 247.407 3.883 40 0 BHABRO C(=C\c1ccccc1)\C[n+]1cccc2ccccc21 ZINC000004962801 166228676 /nfs/dbraw/zinc/22/86/76/166228676.db2.gz FKOUJJKDQFTKNZ-POHAHGRESA-N 1 0 246.333 3.841 40 0 BHABRO C=C1c2ccccc2C=[NH+]N1c1ccccc1 ZINC000004995555 132317421 /nfs/dbraw/zinc/31/74/21/132317421.db2.gz PHSIHDPWLDXQCJ-UHFFFAOYSA-N 1 0 220.275 3.511 40 0 BHABRO CC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1 ZINC000005015728 346258700 /nfs/dbraw/zinc/25/87/00/346258700.db2.gz QOZUCKRESJUVAW-UHFFFAOYSA-O 1 0 249.337 3.646 40 0 BHABRO C[n+]1ccc(/C=C/C2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000005018881 346258617 /nfs/dbraw/zinc/25/86/17/346258617.db2.gz GCBZCLOINWYANN-SWJNODNISA-N 1 0 240.370 3.517 40 0 BHABRO C[N@H+]1CC=C(/C=C/C2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000005019038 187300207 /nfs/dbraw/zinc/30/02/07/187300207.db2.gz JSNGCOSGKWGFMC-SWJNODNISA-N 1 0 243.394 3.797 40 0 BHABRO C[C@@H]1Cc2ccccc2C[NH2+]C12CCCCC2 ZINC000005044130 385185358 /nfs/dbraw/zinc/18/53/58/385185358.db2.gz XHGFZSPIVZPUHO-CYBMUJFWSA-N 1 0 229.367 3.671 40 0 BHABRO C[C@H]1Cc2ccccc2C[NH2+]C12CCCCC2 ZINC000005044132 177389510 /nfs/dbraw/zinc/38/95/10/177389510.db2.gz XHGFZSPIVZPUHO-ZDUSSCGKSA-N 1 0 229.367 3.671 40 0 BHABRO CC(C)=CC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000005080371 384097441 /nfs/dbraw/zinc/09/74/41/384097441.db2.gz BUUGCGITXQPAKR-UHFFFAOYSA-N 1 0 219.372 3.511 40 0 BHABRO Cc1cc(CC[NH3+])c(C)c2c3ccccc3oc21 ZINC000005080472 342757755 /nfs/dbraw/zinc/75/77/55/342757755.db2.gz MCPORWDFPGPWFD-UHFFFAOYSA-N 1 0 239.318 3.704 40 0 BHABRO CCN(CC)c1ccc([N+]#N)cc1Cl ZINC000005139470 384101673 /nfs/dbraw/zinc/10/16/73/384101673.db2.gz IDKVEVLVFDDQNC-UHFFFAOYSA-N 1 0 210.688 3.671 40 0 BHABRO Cc1cc(C)c([N+]#N)c(Br)c1 ZINC000005160181 384103132 /nfs/dbraw/zinc/10/31/32/384103132.db2.gz RRUDJHWOLXVSHQ-UHFFFAOYSA-N 1 0 212.070 3.551 40 0 BHABRO CCC[C@H](C)[C@]1(CC)[NH2+]C(C)(C)C[C@H](C)O1 ZINC000005160908 169495808 /nfs/dbraw/zinc/49/58/08/169495808.db2.gz FEJBUWLOTWTHLL-SGMGOOAPSA-N 1 0 227.392 3.706 40 0 BHABRO CCC[C@@H](C)[C@@]1(CC)[NH2+]C(C)(C)C[C@H](C)O1 ZINC000005160910 169372993 /nfs/dbraw/zinc/37/29/93/169372993.db2.gz FEJBUWLOTWTHLL-DYEKYZERSA-N 1 0 227.392 3.706 40 0 BHABRO CCC[C@H](C)[C@@]1(CC)[NH2+]C(C)(C)C[C@H](C)O1 ZINC000005160911 169494982 /nfs/dbraw/zinc/49/49/82/169494982.db2.gz FEJBUWLOTWTHLL-OBJOEFQTSA-N 1 0 227.392 3.706 40 0 BHABRO CC1=[N+](C)C(C)(C)Cc2c3ccccc3ccc21 ZINC000005416668 168137601 /nfs/dbraw/zinc/13/76/01/168137601.db2.gz VSFZQPYMSRHDGC-UHFFFAOYSA-N 1 0 238.354 3.626 40 0 BHABRO [NH3+][C@H]1C[C@H]2CCCC[C@H]2C[C@H]1c1ccccc1 ZINC000005432310 342763962 /nfs/dbraw/zinc/76/39/62/342763962.db2.gz WLYIQVUZQRWOSU-FZKCQIBNSA-N 1 0 229.367 3.698 40 0 BHABRO [NH3+][C@H]1C[C@H]2CCCC[C@H]2C[C@@H]1c1ccccc1 ZINC000005432312 342763769 /nfs/dbraw/zinc/76/37/69/342763769.db2.gz WLYIQVUZQRWOSU-JJXSEGSLSA-N 1 0 229.367 3.698 40 0 BHABRO [NH3+][C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1c1ccccc1 ZINC000005432314 342763904 /nfs/dbraw/zinc/76/39/04/342763904.db2.gz WLYIQVUZQRWOSU-WCVJEAGWSA-N 1 0 229.367 3.698 40 0 BHABRO [NH3+][C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000005432315 342763977 /nfs/dbraw/zinc/76/39/77/342763977.db2.gz WLYIQVUZQRWOSU-FPCVCCKLSA-N 1 0 229.367 3.698 40 0 BHABRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000005521540 384118751 /nfs/dbraw/zinc/11/87/51/384118751.db2.gz XDFBYVHAQLXSTC-OAHLLOKOSA-N 1 0 217.356 3.841 40 0 BHABRO CCCCC(=O)[C@@](CC)(c1ccccc1)[NH+](C)C ZINC000005523580 342765623 /nfs/dbraw/zinc/76/56/23/342765623.db2.gz KTVSWWXXNZBJFH-MRXNPFEDSA-N 1 0 247.382 3.613 40 0 BHABRO CCCC[NH+](CCCC)[C@H]1C=CCCC1 ZINC000005551902 168806939 /nfs/dbraw/zinc/80/69/39/168806939.db2.gz LUWVAWLFQADWBK-AWEZNQCLSA-N 1 0 209.377 3.997 40 0 BHABRO C1S[C@H]2CCCC[C@@H]2[N@@H+]1C1CCCCC1 ZINC000005566734 187247501 /nfs/dbraw/zinc/24/75/01/187247501.db2.gz TZSFURNFVAKOAH-STQMWFEESA-N 1 0 225.401 3.637 40 0 BHABRO COc1ccc(-c2csc[s+]2)cc1 ZINC000005575107 175030274 /nfs/dbraw/zinc/03/02/74/175030274.db2.gz DOOITESTWQQRJY-UHFFFAOYSA-N 1 0 209.315 3.766 40 0 BHABRO C[NH+](C)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000005599716 384121177 /nfs/dbraw/zinc/12/11/77/384121177.db2.gz GGRPTGXDAIAQFL-KRWDZBQOSA-N 1 0 239.362 3.575 40 0 BHABRO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000005734842 342769023 /nfs/dbraw/zinc/76/90/23/342769023.db2.gz DQEZEEGEILINCQ-DYQPHDICSA-N 1 0 221.388 3.543 40 0 BHABRO C[NH2+][C@@H](C)CCC12CC3CC(CC(C3)C1)C2 ZINC000005734921 384127920 /nfs/dbraw/zinc/12/79/20/384127920.db2.gz MNZHGDDKHUBCII-DYQPHDICSA-N 1 0 221.388 3.591 40 0 BHABRO Cc1ccc(/C(Cl)=C/C=[N+]2CCCCC2)cc1 ZINC000005745085 178351877 /nfs/dbraw/zinc/35/18/77/178351877.db2.gz CRTIEMOOJOIXJC-DHDCSXOGSA-N 1 0 248.777 3.842 40 0 BHABRO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000005751185 176611554 /nfs/dbraw/zinc/61/15/54/176611554.db2.gz DQEZEEGEILINCQ-SHIHICALSA-N 1 0 221.388 3.543 40 0 BHABRO C[NH2+][C@H](C)CCC12CC3CC(CC(C3)C1)C2 ZINC000005751233 384127266 /nfs/dbraw/zinc/12/72/66/384127266.db2.gz MNZHGDDKHUBCII-SHIHICALSA-N 1 0 221.388 3.591 40 0 BHABRO CC(C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000005760616 167141211 /nfs/dbraw/zinc/14/12/11/167141211.db2.gz FBRJTEBLJRHAQX-QGZVFWFLSA-N 1 0 239.362 3.968 40 0 BHABRO C[C@@H](c1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000005763307 176013643 /nfs/dbraw/zinc/01/36/43/176013643.db2.gz QTORVUXUXNXPJJ-LBPRGKRZSA-N 1 0 228.339 3.715 40 0 BHABRO CCCC[NH+](CCCC)C[C@H](O)c1ccccc1 ZINC000005783522 384130148 /nfs/dbraw/zinc/13/01/48/384130148.db2.gz KAXCIUSDMDHFLB-INIZCTEOSA-N 1 0 249.398 3.622 40 0 BHABRO Cc1cc(Cl)cc2s[s+]nc21 ZINC000005809094 188103294 /nfs/dbraw/zinc/10/32/94/188103294.db2.gz BDMIEBOVQQVHHT-UHFFFAOYSA-N 1 0 202.711 3.601 40 0 BHABRO CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000005834986 169289998 /nfs/dbraw/zinc/28/99/98/169289998.db2.gz QDJKYFSVYJISOP-QGZVFWFLSA-N 1 0 239.362 3.970 40 0 BHABRO CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000005853383 170162355 /nfs/dbraw/zinc/16/23/55/170162355.db2.gz IGFZMQXEKIZPDR-MRXNPFEDSA-N 1 0 225.335 3.580 40 0 in-vitro BHABRO Cc1csc(C)[n+]1-c1cccc2ccccc21 ZINC000005886134 179767811 /nfs/dbraw/zinc/76/78/11/179767811.db2.gz SJIUMYUILJNVCG-UHFFFAOYSA-N 1 0 240.351 3.795 40 0 BHABRO CC(C)[NH2+]CC[C@@H](C)Nc1ccc(Cl)cc1 ZINC000005962936 167108407 /nfs/dbraw/zinc/10/84/07/167108407.db2.gz LXGDOCUYWOPMIN-LLVKDONJSA-N 1 0 240.778 3.529 40 0 BHABRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000005969525 178634263 /nfs/dbraw/zinc/63/42/63/178634263.db2.gz ZBDWBJYJQFXGKV-JKOKRWQUSA-N 1 0 237.412 3.971 40 0 BHABRO CCCCC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000005973362 384140993 /nfs/dbraw/zinc/14/09/93/384140993.db2.gz ORWPBXFXCCFWPK-GFCCVEGCSA-N 1 0 211.736 3.920 40 0 BHABRO CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000005973576 384141108 /nfs/dbraw/zinc/14/11/08/384141108.db2.gz BBRPHWUYBUCJNY-UHFFFAOYSA-N 1 0 231.261 3.595 40 0 BHABRO CCCC[NH2+]Cc1ccc(OCCCC)cc1 ZINC000005973578 168870117 /nfs/dbraw/zinc/87/01/17/168870117.db2.gz MBUMFZSHZJAMGA-UHFFFAOYSA-N 1 0 235.371 3.755 40 0 BHABRO CCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000005973583 386518564 /nfs/dbraw/zinc/51/85/64/386518564.db2.gz SKEIYOLMTMGTEK-UHFFFAOYSA-N 1 0 231.261 3.595 40 0 BHABRO CC[N@H+](C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006381696 342777194 /nfs/dbraw/zinc/77/71/94/342777194.db2.gz MJDUDHAPJCKZPF-QGZVFWFLSA-N 1 0 239.362 3.922 40 0 BHABRO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000006385355 170146399 /nfs/dbraw/zinc/14/63/99/170146399.db2.gz JZIYAQBNKMDCJS-KRWDZBQOSA-N 1 0 239.362 3.888 40 0 BHABRO CCCC[NH2+]Cc1cccn1-c1cccc(C)c1 ZINC000006386623 384150240 /nfs/dbraw/zinc/15/02/40/384150240.db2.gz KQAMAILUROWQNE-UHFFFAOYSA-N 1 0 242.366 3.675 40 0 BHABRO C[N@H+](C/C=C/c1ccccc1)Cc1ccccc1 ZINC000006437399 342777921 /nfs/dbraw/zinc/77/79/21/342777921.db2.gz VCFSFBCCSGVCHZ-MDWZMJQESA-N 1 0 237.346 3.832 40 0 BHABRO C[NH2+][C@H](CC1CCCCC1)c1ccc(OC)cc1 ZINC000006481881 384155694 /nfs/dbraw/zinc/15/56/94/384155694.db2.gz BSEKSUVWOIJNNJ-MRXNPFEDSA-N 1 0 247.382 3.926 40 0 BHABRO Cc1ccc(C[C@@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000006522519 342778995 /nfs/dbraw/zinc/77/89/95/342778995.db2.gz MAKXRCWJWUNVCO-QGZVFWFLSA-N 1 0 239.362 3.854 40 0 BHABRO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)cc1 ZINC000006522520 384156587 /nfs/dbraw/zinc/15/65/87/384156587.db2.gz XMHIYXGFGZFNQM-QGZVFWFLSA-N 1 0 239.362 3.807 40 0 BHABRO Cc1ccc([C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000006522721 342778820 /nfs/dbraw/zinc/77/88/20/342778820.db2.gz NIUMGQZLHANBMM-KRWDZBQOSA-N 1 0 239.362 3.840 40 0 BHABRO Cc1ccc[n+](C[C@H](C)c2ccccc2C)c1C ZINC000006523299 179317767 /nfs/dbraw/zinc/31/77/67/179317767.db2.gz XFLXZEAWHPKTOR-HNNXBMFYSA-N 1 0 240.370 3.703 40 0 BHABRO Cc1cc2c(cc1C)C[NH+](C1CCCCC1)C2 ZINC000006611614 368313908 /nfs/dbraw/zinc/31/39/08/368313908.db2.gz LXGLUEBQBQCVRK-UHFFFAOYSA-N 1 0 229.367 3.952 40 0 BHABRO Cc1cc2c(cc1C)C[NH+](Cc1ccccc1)C2 ZINC000006611624 368314285 /nfs/dbraw/zinc/31/42/85/368314285.db2.gz FGVRAMKNQLVKCI-UHFFFAOYSA-N 1 0 237.346 3.819 40 0 BHABRO C#[N+]C(C)(c1ccccc1)c1ccccc1 ZINC000006633988 166225201 /nfs/dbraw/zinc/22/52/01/166225201.db2.gz YDWFLYARDKEKQW-UHFFFAOYSA-N 1 0 208.284 3.913 40 0 BHABRO C[n+]1c(/C=C/c2ccccc2)ccc2ccccc21 ZINC000006824804 187248710 /nfs/dbraw/zinc/24/87/10/187248710.db2.gz INCQLZYLDCIBAL-ACCUITESSA-N 1 0 246.333 3.835 40 0 BHABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000006866967 346656769 /nfs/dbraw/zinc/65/67/69/346656769.db2.gz ZBDWBJYJQFXGKV-OSMZGAPFSA-N 1 0 237.412 3.971 40 0 BHABRO Cc1ccccc1[C@@H](c1ccccc1)[NH+](C)C ZINC000008579246 179328225 /nfs/dbraw/zinc/32/82/25/179328225.db2.gz FXBIEWZVOUNCDC-MRXNPFEDSA-N 1 0 225.335 3.646 40 0 BHABRO C(=C\[n+]1ccc2ccccc2c1)\c1ccccc1 ZINC000008580050 166227780 /nfs/dbraw/zinc/22/77/80/166227780.db2.gz OCZKLTSNIGUSGX-BENRWUELSA-N 1 0 232.306 3.755 40 0 BHABRO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC[NH3+])C1(C)C ZINC000008773581 342804790 /nfs/dbraw/zinc/80/47/90/342804790.db2.gz FYLTUPPEQDJWCJ-IUODEOHRSA-N 1 0 242.366 3.565 40 0 BHABRO Cc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000009245914 178907132 /nfs/dbraw/zinc/90/71/32/178907132.db2.gz JPEBAKBEFZYTJO-CQSZACIVSA-N 1 0 203.329 3.575 40 0 BHABRO Cc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000009245915 384239688 /nfs/dbraw/zinc/23/96/88/384239688.db2.gz JPEBAKBEFZYTJO-AWEZNQCLSA-N 1 0 203.329 3.575 40 0 BHABRO CCCC[NH2+]Cc1cccn1-c1ccccc1F ZINC000010003531 384268900 /nfs/dbraw/zinc/26/89/00/384268900.db2.gz GYXSXRUBPCWYRF-UHFFFAOYSA-N 1 0 246.329 3.506 40 0 BHABRO CC(C)(C)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000011566545 188058273 /nfs/dbraw/zinc/05/82/73/188058273.db2.gz NBVSGYOHSNBNJA-UHFFFAOYSA-N 1 0 246.379 3.566 40 0 BHABRO CC(C)c1ccc(C(C)(C)C[C@@H](C)[NH3+])cc1 ZINC000011631333 167593048 /nfs/dbraw/zinc/59/30/48/167593048.db2.gz RLFGSLUDHQRKLE-GFCCVEGCSA-N 1 0 219.372 3.825 40 0 BHABRO CC(C)c1ccc(C(C)(C)C[C@H](C)[NH3+])cc1 ZINC000011631334 342842016 /nfs/dbraw/zinc/84/20/16/342842016.db2.gz RLFGSLUDHQRKLE-LBPRGKRZSA-N 1 0 219.372 3.825 40 0 BHABRO C[C@@H]([NH3+])CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000011631335 384292388 /nfs/dbraw/zinc/29/23/88/384292388.db2.gz QXSFTRTUYSQACA-GFCCVEGCSA-N 1 0 233.399 3.999 40 0 BHABRO C[C@H]([NH3+])CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000011631336 342841986 /nfs/dbraw/zinc/84/19/86/342841986.db2.gz QXSFTRTUYSQACA-LBPRGKRZSA-N 1 0 233.399 3.999 40 0 BHABRO [NH3+]CC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000011884533 181362864 /nfs/dbraw/zinc/36/28/64/181362864.db2.gz SCKARNZUKPSNSL-UHFFFAOYSA-N 1 0 244.165 3.764 40 0 BHABRO C[NH2+]Cc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000012370191 350215901 /nfs/dbraw/zinc/21/59/01/350215901.db2.gz QBMLVHULRZTDKY-UHFFFAOYSA-N 1 0 231.383 3.755 40 0 BHABRO C[n+]1c(/C=C\c2ccccc2)ccc2ccccc21 ZINC000012494900 187250558 /nfs/dbraw/zinc/25/05/58/187250558.db2.gz INCQLZYLDCIBAL-QBFSEMIESA-N 1 0 246.333 3.835 40 0 BHABRO c1ccc([C@H]2CC[C@H](c3ccccc3)[NH2+]2)cc1 ZINC000012956989 388726349 /nfs/dbraw/zinc/72/63/49/388726349.db2.gz NAOGHMNKMJMMNQ-HZPDHXFCSA-N 1 0 223.319 3.852 40 0 BHABRO Cc1oc(C(C)C)c(C[NH+]2CCCC2)c1C ZINC000013610665 342868622 /nfs/dbraw/zinc/86/86/22/342868622.db2.gz ASMWYPFADPUXSC-UHFFFAOYSA-N 1 0 221.344 3.616 40 0 BHABRO CC(C)[NH2+]CCCOc1cccc2ccccc21 ZINC000013776460 167103013 /nfs/dbraw/zinc/10/30/13/167103013.db2.gz GWFGPUOJJHYUTD-UHFFFAOYSA-N 1 0 243.350 3.607 40 0 BHABRO CCCCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423489 342896177 /nfs/dbraw/zinc/89/61/77/342896177.db2.gz CDBFQQQVISWQTH-UHFFFAOYSA-N 1 0 230.355 3.838 40 0 BHABRO c1cc2c(cccc2C[NH2+]C2CCCCC2)[nH]1 ZINC000015423497 183348647 /nfs/dbraw/zinc/34/86/47/183348647.db2.gz IOJMKSSRKXWPQQ-UHFFFAOYSA-N 1 0 228.339 3.590 40 0 BHABRO c1cc2c(cccc2C[NH2+]C2CCCCCC2)[nH]1 ZINC000015423499 183348834 /nfs/dbraw/zinc/34/88/34/183348834.db2.gz CDUVXLYZISZNHF-UHFFFAOYSA-N 1 0 242.366 3.980 40 0 BHABRO CCCCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424166 347113197 /nfs/dbraw/zinc/11/31/97/347113197.db2.gz MKLAVAUSAKQIFK-UHFFFAOYSA-N 1 0 230.355 3.838 40 0 BHABRO c1cc2cc(C[NH2+]C3CCCCC3)ccc2[nH]1 ZINC000015424171 183374533 /nfs/dbraw/zinc/37/45/33/183374533.db2.gz ZOPRPASNGQRXBA-UHFFFAOYSA-N 1 0 228.339 3.590 40 0 BHABRO c1csc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000015424186 359987353 /nfs/dbraw/zinc/98/73/53/359987353.db2.gz CTIHOVXTFCJPEX-UHFFFAOYSA-N 1 0 242.347 3.519 40 0 BHABRO CCCC[C@@H](CC)C[NH+]1CCC(C)CC1 ZINC000015442224 347113588 /nfs/dbraw/zinc/11/35/88/347113588.db2.gz LWQVKFGCSLQYIL-CQSZACIVSA-N 1 0 211.393 3.935 40 0 BHABRO CCCC[C@H](CC)C[NH+]1CCC(C)CC1 ZINC000015442225 168997801 /nfs/dbraw/zinc/99/78/01/168997801.db2.gz LWQVKFGCSLQYIL-AWEZNQCLSA-N 1 0 211.393 3.935 40 0 BHABRO CC(C)Nc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000016575493 167149886 /nfs/dbraw/zinc/14/98/86/167149886.db2.gz UJZLEUQGTILGOG-UHFFFAOYSA-N 1 0 244.125 3.690 40 0 BHABRO CCCCSC(=[NH2+])Nc1ccccc1 ZINC000017287866 384861074 /nfs/dbraw/zinc/86/10/74/384861074.db2.gz ZMEKZQKTHWBUJO-UHFFFAOYSA-N 1 0 208.330 3.567 40 0 BHABRO [NH3+]CCCCn1c2ccccc2c2ccccc21 ZINC000019268114 181379972 /nfs/dbraw/zinc/37/99/72/181379972.db2.gz MOVKJGUWPCUUIR-UHFFFAOYSA-N 1 0 238.334 3.533 40 0 BHABRO C[C@@H]1[NH2+]C(C)(C)Cc2c3ccccc3ccc21 ZINC000019594084 388580885 /nfs/dbraw/zinc/58/08/85/388580885.db2.gz FJKCIIUATLBDNF-NSHDSACASA-N 1 0 225.335 3.825 40 0 BHABRO C[C@H]1[NH2+]C(C)(C)Cc2c3ccccc3ccc21 ZINC000019594085 388580375 /nfs/dbraw/zinc/58/03/75/388580375.db2.gz FJKCIIUATLBDNF-LLVKDONJSA-N 1 0 225.335 3.825 40 0 BHABRO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000019804064 386592823 /nfs/dbraw/zinc/59/28/23/386592823.db2.gz DKXNNYRMIUEUGE-CQSZACIVSA-N 1 0 231.726 3.697 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000019807420 169277122 /nfs/dbraw/zinc/27/71/22/169277122.db2.gz RLJUWCDOLWJDFA-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000019807421 169286827 /nfs/dbraw/zinc/28/68/27/169286827.db2.gz RLJUWCDOLWJDFA-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019807422 169276266 /nfs/dbraw/zinc/27/62/66/169276266.db2.gz GOJCBTHHGRMGGX-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019807423 169287134 /nfs/dbraw/zinc/28/71/34/169287134.db2.gz GOJCBTHHGRMGGX-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CC(C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000019880364 167119039 /nfs/dbraw/zinc/11/90/39/167119039.db2.gz MDEJGWNMQRYUNA-UHFFFAOYSA-N 1 0 241.334 3.977 40 0 BHABRO CCCOc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000019880855 169321195 /nfs/dbraw/zinc/32/11/95/169321195.db2.gz RPURIUSTXOUMFV-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CCCOc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000019880858 169321708 /nfs/dbraw/zinc/32/17/08/169321708.db2.gz RPURIUSTXOUMFV-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CC(C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019880861 167132390 /nfs/dbraw/zinc/13/23/90/167132390.db2.gz ONYJUHMRBXSNQN-LBPRGKRZSA-N 1 0 221.344 3.533 40 0 BHABRO CC(C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019880864 167138996 /nfs/dbraw/zinc/13/89/96/167138996.db2.gz ONYJUHMRBXSNQN-GFCCVEGCSA-N 1 0 221.344 3.533 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019881962 347517351 /nfs/dbraw/zinc/51/73/51/347517351.db2.gz KOQXKCAXVMYEPV-SECBINFHSA-N 1 0 231.261 3.594 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019881964 171342665 /nfs/dbraw/zinc/34/26/65/171342665.db2.gz KOQXKCAXVMYEPV-VIFPVBQESA-N 1 0 231.261 3.594 40 0 BHABRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882419 170557509 /nfs/dbraw/zinc/55/75/09/170557509.db2.gz AHQNHDDMYVCWBW-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882422 342961128 /nfs/dbraw/zinc/96/11/28/342961128.db2.gz AHQNHDDMYVCWBW-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882424 342961272 /nfs/dbraw/zinc/96/12/72/342961272.db2.gz AHQNHDDMYVCWBW-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882426 342961246 /nfs/dbraw/zinc/96/12/46/342961246.db2.gz AHQNHDDMYVCWBW-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC ZINC000019882613 342961157 /nfs/dbraw/zinc/96/11/57/342961157.db2.gz CPVSPSDBYDJJSF-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC ZINC000019882614 342961244 /nfs/dbraw/zinc/96/12/44/342961244.db2.gz CPVSPSDBYDJJSF-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC ZINC000019882616 170597572 /nfs/dbraw/zinc/59/75/72/170597572.db2.gz CPVSPSDBYDJJSF-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC ZINC000019882618 342961269 /nfs/dbraw/zinc/96/12/69/342961269.db2.gz CPVSPSDBYDJJSF-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882620 169320972 /nfs/dbraw/zinc/32/09/72/169320972.db2.gz FZGBNDIQRLMBKX-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000019882622 169321402 /nfs/dbraw/zinc/32/14/02/169321402.db2.gz FZGBNDIQRLMBKX-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882624 169320990 /nfs/dbraw/zinc/32/09/90/169320990.db2.gz FZGBNDIQRLMBKX-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000019882626 169322664 /nfs/dbraw/zinc/32/26/64/169322664.db2.gz FZGBNDIQRLMBKX-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019882628 170756003 /nfs/dbraw/zinc/75/60/03/170756003.db2.gz VGRXHWFXPYDLQF-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019882630 171346498 /nfs/dbraw/zinc/34/64/98/171346498.db2.gz VGRXHWFXPYDLQF-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019882631 342961145 /nfs/dbraw/zinc/96/11/45/342961145.db2.gz VGRXHWFXPYDLQF-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019882632 171347742 /nfs/dbraw/zinc/34/77/42/171347742.db2.gz VGRXHWFXPYDLQF-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CCCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000019883186 169320765 /nfs/dbraw/zinc/32/07/65/169320765.db2.gz GUCWFMHCUSHUQN-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CCCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000019883187 169321493 /nfs/dbraw/zinc/32/14/93/169321493.db2.gz GUCWFMHCUSHUQN-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CC(C)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019883188 342961127 /nfs/dbraw/zinc/96/11/27/342961127.db2.gz OAQYWJPRYFIITD-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019883189 167013507 /nfs/dbraw/zinc/01/35/07/167013507.db2.gz OAQYWJPRYFIITD-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO C[C@@H]([NH2+]CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019884890 388750649 /nfs/dbraw/zinc/75/06/49/388750649.db2.gz ADCZDNWHPPTOFP-ORGDTZJYSA-N 1 0 233.399 3.591 40 0 BHABRO C[C@H]([NH2+]CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019884892 388750967 /nfs/dbraw/zinc/75/09/67/388750967.db2.gz ADCZDNWHPPTOFP-DSGUZJNWSA-N 1 0 233.399 3.591 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906751 347517483 /nfs/dbraw/zinc/51/74/83/347517483.db2.gz LMWYNHAHFWCESF-SECBINFHSA-N 1 0 231.261 3.594 40 0 BHABRO CC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906752 171343016 /nfs/dbraw/zinc/34/30/16/171343016.db2.gz LMWYNHAHFWCESF-VIFPVBQESA-N 1 0 231.261 3.594 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000019907046 384557488 /nfs/dbraw/zinc/55/74/88/384557488.db2.gz MBLKCEXNVRIETD-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000019907047 384557404 /nfs/dbraw/zinc/55/74/04/384557404.db2.gz MBLKCEXNVRIETD-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000019907084 384555452 /nfs/dbraw/zinc/55/54/52/384555452.db2.gz CAPRAANDCYLQQI-AWEZNQCLSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019907085 384555360 /nfs/dbraw/zinc/55/53/60/384555360.db2.gz CAPRAANDCYLQQI-CQSZACIVSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000019907086 384555530 /nfs/dbraw/zinc/55/55/30/384555530.db2.gz PSDGFXOOQXKGOK-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccccc1OCC ZINC000019907087 384557413 /nfs/dbraw/zinc/55/74/13/384557413.db2.gz PSDGFXOOQXKGOK-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000019907088 168873839 /nfs/dbraw/zinc/87/38/39/168873839.db2.gz VNKGMTNHUHEENI-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000019907089 384556905 /nfs/dbraw/zinc/55/69/05/384556905.db2.gz VNKGMTNHUHEENI-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019907090 384557188 /nfs/dbraw/zinc/55/71/88/384557188.db2.gz CQJJSBLYVVYHFR-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019907091 384556639 /nfs/dbraw/zinc/55/66/39/384556639.db2.gz CQJJSBLYVVYHFR-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CCc1ccc([C@@H]([NH3+])CC(C)(C)C)cc1 ZINC000019968579 385644664 /nfs/dbraw/zinc/64/46/64/385644664.db2.gz DMCVWHDIBBGLNS-ZDUSSCGKSA-N 1 0 205.345 3.685 40 0 BHABRO CCc1ccc([C@H]([NH3+])CC(C)(C)C)cc1 ZINC000019968580 385644546 /nfs/dbraw/zinc/64/45/46/385644546.db2.gz DMCVWHDIBBGLNS-CYBMUJFWSA-N 1 0 205.345 3.685 40 0 BHABRO Cc1ccc([C@@H]([NH3+])C2CCCCC2)s1 ZINC000019969845 384565986 /nfs/dbraw/zinc/56/59/86/384565986.db2.gz GQNNEHLGNMIPOI-LBPRGKRZSA-N 1 0 209.358 3.637 40 0 BHABRO Cc1ccc([C@H]([NH3+])C2CCCCC2)s1 ZINC000019969846 342965742 /nfs/dbraw/zinc/96/57/42/342965742.db2.gz GQNNEHLGNMIPOI-GFCCVEGCSA-N 1 0 209.358 3.637 40 0 BHABRO CCC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019969999 169393480 /nfs/dbraw/zinc/39/34/80/169393480.db2.gz DSYIDEPUMHXPNP-CYBMUJFWSA-N 1 0 205.345 3.784 40 0 BHABRO CCC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019970000 342965428 /nfs/dbraw/zinc/96/54/28/342965428.db2.gz DSYIDEPUMHXPNP-ZDUSSCGKSA-N 1 0 205.345 3.784 40 0 BHABRO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000020158637 173388403 /nfs/dbraw/zinc/38/84/03/173388403.db2.gz SYARTFWAEBPGNA-UHFFFAOYSA-N 1 0 235.714 3.628 40 0 BHABRO [NH3+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020267778 385514276 /nfs/dbraw/zinc/51/42/76/385514276.db2.gz TYHZSHCAKYAITH-UHFFFAOYSA-N 1 0 242.105 3.712 40 0 BHABRO [NH3+]CC1(c2c(Cl)cccc2Cl)CCCC1 ZINC000020429483 181361273 /nfs/dbraw/zinc/36/12/73/181361273.db2.gz RBODETFQPLZNRH-UHFFFAOYSA-N 1 0 244.165 3.764 40 0 BHABRO [NH3+]CC1(c2c(F)cccc2Cl)CCCCC1 ZINC000020429496 181361367 /nfs/dbraw/zinc/36/13/67/181361367.db2.gz XXURAZAUDLATIH-UHFFFAOYSA-N 1 0 241.737 3.640 40 0 BHABRO CCCCC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020481299 342986780 /nfs/dbraw/zinc/98/67/80/342986780.db2.gz KNTPCOQLLVUQFL-GFCCVEGCSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000020481301 168744790 /nfs/dbraw/zinc/74/47/90/168744790.db2.gz KNTPCOQLLVUQFL-LBPRGKRZSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000020481303 342986752 /nfs/dbraw/zinc/98/67/52/342986752.db2.gz YWOUMZBJHPLNAL-CQSZACIVSA-N 1 0 205.345 3.829 40 0 BHABRO CCCCC[C@H]([NH3+])c1ccc(CC)cc1 ZINC000020481306 342986601 /nfs/dbraw/zinc/98/66/01/342986601.db2.gz YWOUMZBJHPLNAL-AWEZNQCLSA-N 1 0 205.345 3.829 40 0 BHABRO CCCCC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000020481321 342986559 /nfs/dbraw/zinc/98/65/59/342986559.db2.gz NCRNDXYXBCNYCR-GFCCVEGCSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@H]([NH3+])c1ccc(F)cc1F ZINC000020481323 342986767 /nfs/dbraw/zinc/98/67/67/342986767.db2.gz NCRNDXYXBCNYCR-LBPRGKRZSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000020481340 342986657 /nfs/dbraw/zinc/98/66/57/342986657.db2.gz NMSYRTHLBRBEBQ-GFCCVEGCSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@H]([NH3+])c1cc(F)ccc1F ZINC000020481342 342986833 /nfs/dbraw/zinc/98/68/33/342986833.db2.gz NMSYRTHLBRBEBQ-LBPRGKRZSA-N 1 0 213.271 3.545 40 0 BHABRO CCCC[NH+](CCCC)Cc1ccccc1N ZINC000020484508 388773226 /nfs/dbraw/zinc/77/32/26/388773226.db2.gz PUEOQVSXRYCNQR-UHFFFAOYSA-N 1 0 234.387 3.671 40 0 BHABRO CCCC[NH+](CCCC)C[C@@H](N)c1ccccc1 ZINC000020485491 388773217 /nfs/dbraw/zinc/77/32/17/388773217.db2.gz OUDILWKNOQUHAF-MRXNPFEDSA-N 1 0 248.414 3.589 40 0 BHABRO CCCC[NH+](CCCC)C[C@H](N)c1ccccc1 ZINC000020485493 388773275 /nfs/dbraw/zinc/77/32/75/388773275.db2.gz OUDILWKNOQUHAF-INIZCTEOSA-N 1 0 248.414 3.589 40 0 BHABRO CCCC[NH+](CCCC)CC1(N)CCCCC1 ZINC000020485750 388772938 /nfs/dbraw/zinc/77/29/38/388772938.db2.gz PXZIVTJHGKICMU-UHFFFAOYSA-N 1 0 240.435 3.550 40 0 BHABRO CCC(C)(C)c1ccc(OCC[NH2+]C2CC2)cc1 ZINC000020525183 384817529 /nfs/dbraw/zinc/81/75/29/384817529.db2.gz DWIZPSLNLJNCTI-UHFFFAOYSA-N 1 0 247.382 3.505 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000020557288 347518147 /nfs/dbraw/zinc/51/81/47/347518147.db2.gz WJRDQDXIJKZIOD-GFCCVEGCSA-N 1 0 219.372 3.872 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000020557290 171343162 /nfs/dbraw/zinc/34/31/62/171343162.db2.gz WJRDQDXIJKZIOD-LBPRGKRZSA-N 1 0 219.372 3.872 40 0 BHABRO CC(C)Nc1ccnc2cc(Cl)ccc21 ZINC000020558761 167148753 /nfs/dbraw/zinc/14/87/53/167148753.db2.gz IUBOTNXWWJRACZ-UHFFFAOYSA-N 1 0 220.703 3.709 40 0 BHABRO CCCCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000021024677 343002637 /nfs/dbraw/zinc/00/26/37/343002637.db2.gz AVCMSPGKVLDZOD-UHFFFAOYSA-N 1 0 235.371 3.611 40 0 BHABRO CCc1ccc([C@@H]([NH3+])CCC(C)C)cc1 ZINC000021032744 171834364 /nfs/dbraw/zinc/83/43/64/171834364.db2.gz CRNCDPAVKMBANW-AWEZNQCLSA-N 1 0 205.345 3.685 40 0 BHABRO CCc1ccc([C@H]([NH3+])CCC(C)C)cc1 ZINC000021032750 384646866 /nfs/dbraw/zinc/64/68/66/384646866.db2.gz CRNCDPAVKMBANW-CQSZACIVSA-N 1 0 205.345 3.685 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000021499713 169276864 /nfs/dbraw/zinc/27/68/64/169276864.db2.gz XPSZVPMQTYBOSG-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000021499715 169287601 /nfs/dbraw/zinc/28/76/01/169287601.db2.gz XPSZVPMQTYBOSG-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CC(C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000021787600 167008330 /nfs/dbraw/zinc/00/83/30/167008330.db2.gz TTWICYTUSXZUKR-UHFFFAOYSA-N 1 0 219.372 3.730 40 0 BHABRO CC(C)COc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000021808892 187254456 /nfs/dbraw/zinc/25/44/56/187254456.db2.gz VQFMFPXSQFHUJY-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)COc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000021808894 384694986 /nfs/dbraw/zinc/69/49/86/384694986.db2.gz VQFMFPXSQFHUJY-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000021814700 169268375 /nfs/dbraw/zinc/26/83/75/169268375.db2.gz PUIOIPDXZOQREF-UHFFFAOYSA-N 1 0 241.334 3.979 40 0 BHABRO CC(C)C[C@@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000022001254 132332443 /nfs/dbraw/zinc/33/24/43/132332443.db2.gz CARYLRSDNWJCJV-OAHLLOKOSA-N 1 0 246.398 3.723 40 0 in-vitro BHABRO c1[nH]c2ccccc2c1CCC[NH+]1CCCCC1 ZINC000022004098 183437917 /nfs/dbraw/zinc/43/79/17/183437917.db2.gz GHHSOUYJYMAISL-UHFFFAOYSA-N 1 0 242.366 3.586 40 0 BHABRO CC[NH+](CC)Cc1c[nH]c2cc(Cl)ccc12 ZINC000022054467 343037381 /nfs/dbraw/zinc/03/73/81/343037381.db2.gz OZDCLJGGANGRBF-UHFFFAOYSA-N 1 0 236.746 3.663 40 0 in-vitro BHABRO c1ccc(-c2ccc(C3=[NH+]CCC3)cc2)cc1 ZINC000022115619 183379528 /nfs/dbraw/zinc/37/95/28/183379528.db2.gz GARMKAUDODJLEK-UHFFFAOYSA-N 1 0 221.303 3.937 40 0 BHABRO Cc1ccc2[nH]c(Nc3cccc(C)c3)[nH+]c2c1 ZINC000026474262 179158409 /nfs/dbraw/zinc/15/84/09/179158409.db2.gz VYTDFQWCXBANTG-UHFFFAOYSA-N 1 0 237.306 3.923 40 0 BHABRO C[NH+]1CCC(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000026895423 173000015 /nfs/dbraw/zinc/00/00/15/173000015.db2.gz UVGVFOXMUYGAIA-UHFFFAOYSA-N 1 0 248.757 3.631 40 0 BHABRO C[NH+]1CCC(c2c[nH]c3c2cccc3Cl)CC1 ZINC000026895425 384888349 /nfs/dbraw/zinc/88/83/49/384888349.db2.gz GNDBYBYQRLQOHJ-UHFFFAOYSA-N 1 0 248.757 3.631 40 0 BHABRO CC(C)C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000032010584 187256323 /nfs/dbraw/zinc/25/63/23/187256323.db2.gz XLEKLERNDNKEOX-CQSZACIVSA-N 1 0 205.345 3.856 40 0 BHABRO CC(C)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000032010586 343228136 /nfs/dbraw/zinc/22/81/36/343228136.db2.gz XLEKLERNDNKEOX-AWEZNQCLSA-N 1 0 205.345 3.856 40 0 BHABRO CC[NH+](CC)c1ccc(NCc2ccco2)cc1 ZINC000032101804 385970781 /nfs/dbraw/zinc/97/07/81/385970781.db2.gz GTROCOPINLPWIK-UHFFFAOYSA-N 1 0 244.338 3.738 40 0 BHABRO CCCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032103222 385132608 /nfs/dbraw/zinc/13/26/08/385132608.db2.gz JZSZIUHQEXOCED-UHFFFAOYSA-N 1 0 247.382 3.898 40 0 BHABRO CC(C)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032103225 167009651 /nfs/dbraw/zinc/00/96/51/167009651.db2.gz CFSSDMGXWAZIKR-UHFFFAOYSA-N 1 0 247.382 3.754 40 0 BHABRO CCCC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000032103241 385131112 /nfs/dbraw/zinc/13/11/12/385131112.db2.gz PXFCTAKTWCZHFF-UHFFFAOYSA-N 1 0 247.382 3.898 40 0 BHABRO CC(C)C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000032103243 167007457 /nfs/dbraw/zinc/00/74/57/167007457.db2.gz MQOMBKXTJQMPEG-UHFFFAOYSA-N 1 0 247.382 3.754 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032103244 170754320 /nfs/dbraw/zinc/75/43/20/170754320.db2.gz NVSZRQKUKQENFJ-CYBMUJFWSA-N 1 0 247.382 3.896 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032103246 171343749 /nfs/dbraw/zinc/34/37/49/171343749.db2.gz NVSZRQKUKQENFJ-ZDUSSCGKSA-N 1 0 247.382 3.896 40 0 BHABRO CC(C)(C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000032103247 343938700 /nfs/dbraw/zinc/93/87/00/343938700.db2.gz BOXONSIDKKHZOV-UHFFFAOYSA-N 1 0 247.382 3.896 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000032103253 343229647 /nfs/dbraw/zinc/22/96/47/343229647.db2.gz HROYTGCTTMBFAT-CYBMUJFWSA-N 1 0 247.382 3.896 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000032103255 171342673 /nfs/dbraw/zinc/34/26/73/171342673.db2.gz HROYTGCTTMBFAT-ZDUSSCGKSA-N 1 0 247.382 3.896 40 0 BHABRO CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000032220015 169254426 /nfs/dbraw/zinc/25/44/26/169254426.db2.gz KHXNTQRMMGXPQW-UHFFFAOYSA-N 1 0 217.356 3.846 40 0 in-vitro BHABRO Cc1ccc(NC(=[NH2+])c2ccccc2)c(C)c1 ZINC000033404814 343253014 /nfs/dbraw/zinc/25/30/14/343253014.db2.gz YCXUHIMVNPETAZ-UHFFFAOYSA-N 1 0 224.307 3.741 40 0 BHABRO CC(C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000033465018 167120626 /nfs/dbraw/zinc/12/06/26/167120626.db2.gz XZBTYJIBWXSNQQ-UHFFFAOYSA-N 1 0 233.355 3.506 40 0 BHABRO CCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000033465019 169268453 /nfs/dbraw/zinc/26/84/53/169268453.db2.gz HCNINAUBWFDWIG-UHFFFAOYSA-N 1 0 233.355 3.508 40 0 BHABRO CC(C)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000033465024 167119686 /nfs/dbraw/zinc/11/96/86/167119686.db2.gz XYUCHHVAFBUKKV-UHFFFAOYSA-N 1 0 233.355 3.506 40 0 BHABRO CCCC[NH2+]Cc1ccccc1OCCCC ZINC000033465617 168871170 /nfs/dbraw/zinc/87/11/70/168871170.db2.gz IFTRPHMJROTHJV-UHFFFAOYSA-N 1 0 235.371 3.755 40 0 BHABRO CCCCOc1ccccc1C[NH2+]CC(C)C ZINC000033465618 168920830 /nfs/dbraw/zinc/92/08/30/168920830.db2.gz XYBFFIOBAOWZBV-UHFFFAOYSA-N 1 0 235.371 3.611 40 0 BHABRO CCCC[NH2+]Cc1ccccc1OCC(C)C ZINC000033465619 385238277 /nfs/dbraw/zinc/23/82/77/385238277.db2.gz RHRDZGBMXJQZOU-UHFFFAOYSA-N 1 0 235.371 3.611 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccccc1OCC(C)C ZINC000033465628 343254995 /nfs/dbraw/zinc/25/49/95/343254995.db2.gz QXDYAEQNUMRSOK-CYBMUJFWSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccccc1OCC(C)C ZINC000033465629 171344431 /nfs/dbraw/zinc/34/44/31/171344431.db2.gz QXDYAEQNUMRSOK-ZDUSSCGKSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000033465640 343254694 /nfs/dbraw/zinc/25/46/94/343254694.db2.gz BBDBWOYNEPRIKB-CYBMUJFWSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000033465641 171342911 /nfs/dbraw/zinc/34/29/11/171342911.db2.gz BBDBWOYNEPRIKB-ZDUSSCGKSA-N 1 0 235.371 3.610 40 0 BHABRO c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC000034511489 385284671 /nfs/dbraw/zinc/28/46/71/385284671.db2.gz TWQZMFJJYHNANK-IYBDPMFKSA-N 1 0 249.357 3.773 40 0 BHABRO CCCCOc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000034819198 528688670 /nfs/dbraw/zinc/68/86/70/528688670.db2.gz LSOCKHOBUUAUOO-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCCCOc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000034819201 188284885 /nfs/dbraw/zinc/28/48/85/188284885.db2.gz LSOCKHOBUUAUOO-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000034819337 170159286 /nfs/dbraw/zinc/15/92/86/170159286.db2.gz WMNBZPXEBYHWSF-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000034819339 170159092 /nfs/dbraw/zinc/15/90/92/170159092.db2.gz WMNBZPXEBYHWSF-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000034819341 170141852 /nfs/dbraw/zinc/14/18/52/170141852.db2.gz WMNBZPXEBYHWSF-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000034819343 170142109 /nfs/dbraw/zinc/14/21/09/170142109.db2.gz WMNBZPXEBYHWSF-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819511 170142086 /nfs/dbraw/zinc/14/20/86/170142086.db2.gz SPYZPGHNRQEMQF-LBPRGKRZSA-N 1 0 233.355 3.679 40 0 BHABRO CC[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000034819513 170158850 /nfs/dbraw/zinc/15/88/50/170158850.db2.gz SPYZPGHNRQEMQF-GFCCVEGCSA-N 1 0 233.355 3.679 40 0 BHABRO CCCCOc1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC000034819531 343278797 /nfs/dbraw/zinc/27/87/97/343278797.db2.gz DFCRGAMTNGNBGW-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCCOc1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000034819533 385290825 /nfs/dbraw/zinc/29/08/25/385290825.db2.gz DFCRGAMTNGNBGW-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000034819608 169276765 /nfs/dbraw/zinc/27/67/65/169276765.db2.gz BIUSMLYOVZYIOX-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)cc1 ZINC000034819610 169287448 /nfs/dbraw/zinc/28/74/48/169287448.db2.gz BIUSMLYOVZYIOX-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000034819612 169277328 /nfs/dbraw/zinc/27/73/28/169277328.db2.gz BIUSMLYOVZYIOX-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1ccc(O[C@H](C)CC)cc1 ZINC000034819614 169286716 /nfs/dbraw/zinc/28/67/16/169286716.db2.gz BIUSMLYOVZYIOX-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]CC ZINC000034820778 343278780 /nfs/dbraw/zinc/27/87/80/343278780.db2.gz IRTGICAQXFKNCU-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCCCOc1ccccc1[C@H](C)[NH2+]CC ZINC000034820780 343278886 /nfs/dbraw/zinc/27/88/86/343278886.db2.gz IRTGICAQXFKNCU-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CC[NH2+][C@H](C)c1ccccc1O[C@H](C)CC ZINC000034820903 170159989 /nfs/dbraw/zinc/15/99/89/170159989.db2.gz MBFLRLQPEUYNFO-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@H](C)c1ccccc1O[C@@H](C)CC ZINC000034820905 170160115 /nfs/dbraw/zinc/16/01/15/170160115.db2.gz MBFLRLQPEUYNFO-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccccc1O[C@H](C)CC ZINC000034820906 170142132 /nfs/dbraw/zinc/14/21/32/170142132.db2.gz MBFLRLQPEUYNFO-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)CC ZINC000034820908 170142172 /nfs/dbraw/zinc/14/21/72/170142172.db2.gz MBFLRLQPEUYNFO-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1ccccc1OC1CCCC1 ZINC000034821062 170141510 /nfs/dbraw/zinc/14/15/10/170141510.db2.gz AOYUKBZEJYGJDP-LBPRGKRZSA-N 1 0 233.355 3.679 40 0 BHABRO CC[NH2+][C@H](C)c1ccccc1OC1CCCC1 ZINC000034821064 170160412 /nfs/dbraw/zinc/16/04/12/170160412.db2.gz AOYUKBZEJYGJDP-GFCCVEGCSA-N 1 0 233.355 3.679 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccccc1OCC(C)C ZINC000034821078 169277350 /nfs/dbraw/zinc/27/73/50/169277350.db2.gz GLOKUZYPXUXZDI-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CCC[NH2+][C@H](C)c1ccccc1OCC(C)C ZINC000034821080 169287295 /nfs/dbraw/zinc/28/72/95/169287295.db2.gz GLOKUZYPXUXZDI-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]CCC ZINC000034821084 343278752 /nfs/dbraw/zinc/27/87/52/343278752.db2.gz JNWUXZXHSNKTDC-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCCOc1ccccc1[C@H](C)[NH2+]CCC ZINC000034821086 343278901 /nfs/dbraw/zinc/27/89/01/343278901.db2.gz JNWUXZXHSNKTDC-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)CC ZINC000034821144 169277190 /nfs/dbraw/zinc/27/71/90/169277190.db2.gz DOXLDKQZOQWWDH-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1ccccc1O[C@@H](C)CC ZINC000034821146 169286692 /nfs/dbraw/zinc/28/66/92/169286692.db2.gz DOXLDKQZOQWWDH-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccccc1O[C@H](C)CC ZINC000034821148 169277208 /nfs/dbraw/zinc/27/72/08/169277208.db2.gz DOXLDKQZOQWWDH-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1ccccc1O[C@H](C)CC ZINC000034821149 169287019 /nfs/dbraw/zinc/28/70/19/169287019.db2.gz DOXLDKQZOQWWDH-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccccc1OCCC ZINC000034821221 169277106 /nfs/dbraw/zinc/27/71/06/169277106.db2.gz ZKMJLMZTWOFOSY-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@H](C)c1ccccc1OCCC ZINC000034821223 169286924 /nfs/dbraw/zinc/28/69/24/169286924.db2.gz ZKMJLMZTWOFOSY-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000034821294 169276565 /nfs/dbraw/zinc/27/65/65/169276565.db2.gz RGWNTMDFRPGDJW-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000034821296 169287103 /nfs/dbraw/zinc/28/71/03/169287103.db2.gz RGWNTMDFRPGDJW-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CCCCOc1cccc([C@@H](C)[NH2+]CC)c1 ZINC000034822229 168920118 /nfs/dbraw/zinc/92/01/18/168920118.db2.gz AHALWVMPMPLIIA-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCCCOc1cccc([C@H](C)[NH2+]CC)c1 ZINC000034822230 343278981 /nfs/dbraw/zinc/27/89/81/343278981.db2.gz AHALWVMPMPLIIA-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CC[NH2+][C@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000034822301 170160402 /nfs/dbraw/zinc/16/04/02/170160402.db2.gz RADLSGWUJJMCKL-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000034822302 170160548 /nfs/dbraw/zinc/16/05/48/170160548.db2.gz RADLSGWUJJMCKL-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000034822303 170141757 /nfs/dbraw/zinc/14/17/57/170141757.db2.gz RADLSGWUJJMCKL-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000034822304 170141849 /nfs/dbraw/zinc/14/18/49/170141849.db2.gz RADLSGWUJJMCKL-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CC[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822389 170141908 /nfs/dbraw/zinc/14/19/08/170141908.db2.gz RISBMVKXVDAFNI-LBPRGKRZSA-N 1 0 233.355 3.679 40 0 BHABRO CC[NH2+][C@H](C)c1cccc(OC2CCCC2)c1 ZINC000034822390 170160062 /nfs/dbraw/zinc/16/00/62/170160062.db2.gz RISBMVKXVDAFNI-GFCCVEGCSA-N 1 0 233.355 3.679 40 0 BHABRO CCC[NH2+][C@@H](C)c1cccc(OCC(C)C)c1 ZINC000034822399 169277094 /nfs/dbraw/zinc/27/70/94/169277094.db2.gz CDLIKTGEHZQWNM-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CCC[NH2+][C@H](C)c1cccc(OCC(C)C)c1 ZINC000034822400 169287042 /nfs/dbraw/zinc/28/70/42/169287042.db2.gz CDLIKTGEHZQWNM-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CCCCOc1cccc([C@@H](C)[NH2+]CCC)c1 ZINC000034822403 168919602 /nfs/dbraw/zinc/91/96/02/168919602.db2.gz XAQNTPDWRBYRDX-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCCOc1cccc([C@H](C)[NH2+]CCC)c1 ZINC000034822404 343278944 /nfs/dbraw/zinc/27/89/44/343278944.db2.gz XAQNTPDWRBYRDX-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCC[NH2+][C@@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000034822443 169277358 /nfs/dbraw/zinc/27/73/58/169277358.db2.gz FQJOGCNQOZOVQK-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1cccc(O[C@@H](C)CC)c1 ZINC000034822444 169287607 /nfs/dbraw/zinc/28/76/07/169287607.db2.gz FQJOGCNQOZOVQK-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000034822445 169276515 /nfs/dbraw/zinc/27/65/15/169276515.db2.gz FQJOGCNQOZOVQK-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@H](C)c1cccc(O[C@H](C)CC)c1 ZINC000034822446 169286763 /nfs/dbraw/zinc/28/67/63/169286763.db2.gz FQJOGCNQOZOVQK-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCC[NH2+][C@@H](C)c1cccc(OCCC)c1 ZINC000034822485 169277360 /nfs/dbraw/zinc/27/73/60/169277360.db2.gz PUTLYHWSAIPCKT-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@H](C)c1cccc(OCCC)c1 ZINC000034822486 169287097 /nfs/dbraw/zinc/28/70/97/169287097.db2.gz PUTLYHWSAIPCKT-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000034822521 169276918 /nfs/dbraw/zinc/27/69/18/169276918.db2.gz RUFWGLIYSDLDPI-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000034822522 169287499 /nfs/dbraw/zinc/28/74/99/169287499.db2.gz RUFWGLIYSDLDPI-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000035061592 168189884 /nfs/dbraw/zinc/18/98/84/168189884.db2.gz NBCXZRVQEDJOBK-UHFFFAOYSA-N 1 0 237.346 3.728 40 0 BHABRO CCCCCC[NH2+]Cc1cc(C)ccc1OC ZINC000035161634 384018889 /nfs/dbraw/zinc/01/88/89/384018889.db2.gz WTMZNJVIFDRZBB-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO Cc1cc(NCc2ccccn2)c2ccccc2[nH+]1 ZINC000035206346 178172567 /nfs/dbraw/zinc/17/25/67/178172567.db2.gz XITMFBGPURIVRM-UHFFFAOYSA-N 1 0 249.317 3.550 40 0 BHABRO CC(C)C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000036325384 167011721 /nfs/dbraw/zinc/01/17/21/167011721.db2.gz QEGVMRMPEILYKQ-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000036325386 167013405 /nfs/dbraw/zinc/01/34/05/167013405.db2.gz QEGVMRMPEILYKQ-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000036325492 383897987 /nfs/dbraw/zinc/89/79/87/383897987.db2.gz HIAORAAVQKBJPD-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000036325494 383897966 /nfs/dbraw/zinc/89/79/66/383897966.db2.gz HIAORAAVQKBJPD-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccc([C@@H]([NH3+])CCC)cc1C ZINC000036720574 169321416 /nfs/dbraw/zinc/32/14/16/169321416.db2.gz MMKNCXIPTRZHIB-ZDUSSCGKSA-N 1 0 221.344 3.584 40 0 BHABRO CCCOc1ccc([C@H]([NH3+])CCC)cc1C ZINC000036720576 169322563 /nfs/dbraw/zinc/32/25/63/169322563.db2.gz MMKNCXIPTRZHIB-CYBMUJFWSA-N 1 0 221.344 3.584 40 0 BHABRO CCC[C@H]([NH3+])c1ccc(OCC)c(Cl)c1 ZINC000036720586 169505018 /nfs/dbraw/zinc/50/50/18/169505018.db2.gz JHRLAJCEINWHIG-NSHDSACASA-N 1 0 227.735 3.539 40 0 BHABRO CCC[C@@H]([NH3+])c1ccc(OCC)c(Cl)c1 ZINC000036720588 169394127 /nfs/dbraw/zinc/39/41/27/169394127.db2.gz JHRLAJCEINWHIG-LLVKDONJSA-N 1 0 227.735 3.539 40 0 BHABRO CCCOc1ccc([C@H]([NH3+])CC)cc1Cl ZINC000036720598 169322428 /nfs/dbraw/zinc/32/24/28/169322428.db2.gz HCBLVTJIYLGKDA-LLVKDONJSA-N 1 0 227.735 3.539 40 0 BHABRO CCCOc1ccc([C@@H]([NH3+])CC)cc1Cl ZINC000036720600 169321780 /nfs/dbraw/zinc/32/17/80/169321780.db2.gz HCBLVTJIYLGKDA-NSHDSACASA-N 1 0 227.735 3.539 40 0 BHABRO CCCOc1ccc([C@@H]([NH3+])CCC)cc1Cl ZINC000036720602 169321616 /nfs/dbraw/zinc/32/16/16/169321616.db2.gz HMTPOBFZWGGYIM-LBPRGKRZSA-N 1 0 241.762 3.929 40 0 BHABRO CCCOc1ccc([C@H]([NH3+])CCC)cc1Cl ZINC000036720604 169322654 /nfs/dbraw/zinc/32/26/54/169322654.db2.gz HMTPOBFZWGGYIM-GFCCVEGCSA-N 1 0 241.762 3.929 40 0 BHABRO CCCOc1ccc([C@H]([NH3+])C(C)C)cc1Cl ZINC000036720606 169322666 /nfs/dbraw/zinc/32/26/66/169322666.db2.gz VKCHBAYGXWNKBX-CYBMUJFWSA-N 1 0 241.762 3.785 40 0 BHABRO CCCOc1ccc([C@@H]([NH3+])C(C)C)cc1Cl ZINC000036720608 169321222 /nfs/dbraw/zinc/32/12/22/169321222.db2.gz VKCHBAYGXWNKBX-ZDUSSCGKSA-N 1 0 241.762 3.785 40 0 BHABRO CC(C)c1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000036819720 343325226 /nfs/dbraw/zinc/32/52/26/343325226.db2.gz REQODYUBEIEGEP-CQSZACIVSA-N 1 0 203.329 3.610 40 0 BHABRO CC(C)c1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000036819721 343325047 /nfs/dbraw/zinc/32/50/47/343325047.db2.gz REQODYUBEIEGEP-AWEZNQCLSA-N 1 0 203.329 3.610 40 0 BHABRO CC(C)c1ccc(C2([NH3+])CCCCC2)cc1 ZINC000036906473 347970800 /nfs/dbraw/zinc/97/08/00/347970800.db2.gz JAKQCQXILBJLGA-UHFFFAOYSA-N 1 0 217.356 3.928 40 0 BHABRO C[C@H]([NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000036927699 343328082 /nfs/dbraw/zinc/32/80/82/343328082.db2.gz WPOCLTUPVGBSAF-QMMMGPOBSA-N 1 0 221.300 3.574 40 0 BHABRO C[C@@H]([NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000036927700 383920935 /nfs/dbraw/zinc/92/09/35/383920935.db2.gz WPOCLTUPVGBSAF-MRVPVSSYSA-N 1 0 221.300 3.574 40 0 BHABRO CC(C)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997342 188468346 /nfs/dbraw/zinc/46/83/46/188468346.db2.gz JZSANMFTWKMQLV-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997343 167013882 /nfs/dbraw/zinc/01/38/82/167013882.db2.gz JZSANMFTWKMQLV-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997398 343330226 /nfs/dbraw/zinc/33/02/26/343330226.db2.gz IGPRYYFENGVLFO-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997399 171346362 /nfs/dbraw/zinc/34/63/62/171346362.db2.gz IGPRYYFENGVLFO-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997400 170758483 /nfs/dbraw/zinc/75/84/83/170758483.db2.gz IGPRYYFENGVLFO-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997401 171348173 /nfs/dbraw/zinc/34/81/73/171348173.db2.gz IGPRYYFENGVLFO-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CC(C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997458 167131888 /nfs/dbraw/zinc/13/18/88/167131888.db2.gz YJQDOBHMVNBDHK-LBPRGKRZSA-N 1 0 221.344 3.533 40 0 BHABRO CC(C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997459 167138393 /nfs/dbraw/zinc/13/83/93/167138393.db2.gz YJQDOBHMVNBDHK-GFCCVEGCSA-N 1 0 221.344 3.533 40 0 BHABRO CCCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997482 383928440 /nfs/dbraw/zinc/92/84/40/383928440.db2.gz NWPYLWBVTFCSJJ-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CCCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997483 383929199 /nfs/dbraw/zinc/92/91/99/383929199.db2.gz NWPYLWBVTFCSJJ-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000037118835 343334723 /nfs/dbraw/zinc/33/47/23/343334723.db2.gz RENWAUQZRWRXKY-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000037118836 171345817 /nfs/dbraw/zinc/34/58/17/171345817.db2.gz RENWAUQZRWRXKY-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000037118837 343334491 /nfs/dbraw/zinc/33/44/91/343334491.db2.gz RENWAUQZRWRXKY-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000037118838 171348156 /nfs/dbraw/zinc/34/81/56/171348156.db2.gz RENWAUQZRWRXKY-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CC(C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000037118893 167132503 /nfs/dbraw/zinc/13/25/03/167132503.db2.gz OKQJQOCMDGTOAS-LBPRGKRZSA-N 1 0 221.344 3.533 40 0 BHABRO CC(C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000037118894 167137735 /nfs/dbraw/zinc/13/77/35/167137735.db2.gz OKQJQOCMDGTOAS-GFCCVEGCSA-N 1 0 221.344 3.533 40 0 BHABRO Cc1ccccc1[C@H]([NH3+])C1CCCCC1 ZINC000037466888 179343281 /nfs/dbraw/zinc/34/32/81/179343281.db2.gz BSKUIAGDARKODT-CQSZACIVSA-N 1 0 203.329 3.575 40 0 BHABRO Cc1ccccc1[C@@H]([NH3+])C1CCCCC1 ZINC000037466890 179324057 /nfs/dbraw/zinc/32/40/57/179324057.db2.gz BSKUIAGDARKODT-AWEZNQCLSA-N 1 0 203.329 3.575 40 0 BHABRO Cc1cccc([C@H]([NH3+])C2CCCCC2)c1 ZINC000037466906 179199964 /nfs/dbraw/zinc/19/99/64/179199964.db2.gz GCNZUNAWSKSIAP-CQSZACIVSA-N 1 0 203.329 3.575 40 0 BHABRO Cc1cccc([C@@H]([NH3+])C2CCCCC2)c1 ZINC000037466908 179184420 /nfs/dbraw/zinc/18/44/20/179184420.db2.gz GCNZUNAWSKSIAP-AWEZNQCLSA-N 1 0 203.329 3.575 40 0 BHABRO C[NH2+][C@@H](C)CCc1ccc(Cl)cc1Cl ZINC000038000993 386109306 /nfs/dbraw/zinc/10/93/06/386109306.db2.gz NZJVPJKTVQGPSR-QMMMGPOBSA-N 1 0 232.154 3.534 40 0 BHABRO C[NH2+][C@H](C)CCc1ccc(Cl)cc1Cl ZINC000038000994 386108042 /nfs/dbraw/zinc/10/80/42/386108042.db2.gz NZJVPJKTVQGPSR-MRVPVSSYSA-N 1 0 232.154 3.534 40 0 BHABRO CCC[NH2+][C@@H](CC)c1ccccc1Cl ZINC000038078609 169278296 /nfs/dbraw/zinc/27/82/96/169278296.db2.gz MENLCKTZFIVXCZ-LBPRGKRZSA-N 1 0 211.736 3.791 40 0 BHABRO CCC[NH2+][C@H](CC)c1ccccc1Cl ZINC000038078610 169289234 /nfs/dbraw/zinc/28/92/34/169289234.db2.gz MENLCKTZFIVXCZ-GFCCVEGCSA-N 1 0 211.736 3.791 40 0 BHABRO c1ccc([C@@H]2CC[C@@H](c3ccccc3)[NH2+]2)cc1 ZINC000038272168 183425456 /nfs/dbraw/zinc/42/54/56/183425456.db2.gz NAOGHMNKMJMMNQ-HOTGVXAUSA-N 1 0 223.319 3.852 40 0 BHABRO c1ccc(C[NH+](C2CCC2)C2CCC2)cc1 ZINC000038952410 183396547 /nfs/dbraw/zinc/39/65/47/183396547.db2.gz IAIXJRRKOLDATE-UHFFFAOYSA-N 1 0 215.340 3.594 40 0 BHABRO [NH2+]=C(Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000040164006 181200279 /nfs/dbraw/zinc/20/02/79/181200279.db2.gz BPRGNGOSDSTFAT-UHFFFAOYSA-N 1 0 245.713 3.799 40 0 BHABRO [NH2+]=C(Nc1ccccc1)Nc1ccccc1Cl ZINC000040164010 181200433 /nfs/dbraw/zinc/20/04/33/181200433.db2.gz XDZKAZSMUVGUJH-UHFFFAOYSA-N 1 0 245.713 3.799 40 0 BHABRO [NH2+]=C(Nc1ccccc1)Nc1cccc(Cl)c1 ZINC000040164014 181200391 /nfs/dbraw/zinc/20/03/91/181200391.db2.gz YRTMCBGADOFAFW-UHFFFAOYSA-N 1 0 245.713 3.799 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2ccccc2)cc1C ZINC000040164016 188473934 /nfs/dbraw/zinc/47/39/34/188473934.db2.gz NYXYKCRKRYHTAF-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1cc(C)cc(NC(=[NH2+])Nc2ccccc2)c1 ZINC000040164017 187601868 /nfs/dbraw/zinc/60/18/68/187601868.db2.gz BYPFFWBXOXSWAO-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1cccc(NC(=[NH2+])Nc2ccccc2)c1C ZINC000040164018 343398060 /nfs/dbraw/zinc/39/80/60/343398060.db2.gz JPRUHSGJOOZKLK-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2ccccc2)c(C)c1 ZINC000040164019 343398041 /nfs/dbraw/zinc/39/80/41/343398041.db2.gz SAIPGFLQNNJDKY-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000040164020 343397918 /nfs/dbraw/zinc/39/79/18/343397918.db2.gz ALQOYGULFUEGKA-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2ccccc2C)cc1 ZINC000040164021 187427430 /nfs/dbraw/zinc/42/74/30/187427430.db2.gz SHTWRWKCXISJEG-UHFFFAOYSA-N 1 0 239.322 3.762 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2ccccc2F)cc1 ZINC000040164022 259315857 /nfs/dbraw/zinc/31/58/57/259315857.db2.gz GJFGTBAPBADNHP-UHFFFAOYSA-N 1 0 243.285 3.593 40 0 BHABRO Cc1cccc(NC(=[NH2+])Nc2ccc(F)cc2)c1 ZINC000040164024 187263029 /nfs/dbraw/zinc/26/30/29/187263029.db2.gz DSNVFABVDVFUCS-UHFFFAOYSA-N 1 0 243.285 3.593 40 0 BHABRO Cc1ccc(NC(=[NH2+])Nc2ccc(F)cc2)cc1 ZINC000040164025 343397825 /nfs/dbraw/zinc/39/78/25/343397825.db2.gz KIWITYQPXGTYIK-UHFFFAOYSA-N 1 0 243.285 3.593 40 0 BHABRO c1ccc(Oc2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000040442688 188118548 /nfs/dbraw/zinc/11/85/48/188118548.db2.gz GAYHPFQUCQLKKS-INIZCTEOSA-N 1 0 239.318 3.903 40 0 BHABRO c1ccc(Oc2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC000040442689 187263589 /nfs/dbraw/zinc/26/35/89/187263589.db2.gz GAYHPFQUCQLKKS-MRXNPFEDSA-N 1 0 239.318 3.903 40 0 BHABRO Cc1ccsc1[C@H]([NH3+])C1CCCCC1 ZINC000042728979 343449774 /nfs/dbraw/zinc/44/97/74/343449774.db2.gz SRWWSXKVSAIEEF-LLVKDONJSA-N 1 0 209.358 3.637 40 0 BHABRO Cc1ccsc1[C@@H]([NH3+])C1CCCCC1 ZINC000042728981 343449713 /nfs/dbraw/zinc/44/97/13/343449713.db2.gz SRWWSXKVSAIEEF-NSHDSACASA-N 1 0 209.358 3.637 40 0 BHABRO CC(C)CC[C@H]([NH3+])c1ccccc1Cl ZINC000043374374 166907122 /nfs/dbraw/zinc/90/71/22/166907122.db2.gz NPULNCGFPWMPAI-LBPRGKRZSA-N 1 0 211.736 3.776 40 0 BHABRO CC(C)CC[C@@H]([NH3+])c1ccccc1Cl ZINC000043374376 385306586 /nfs/dbraw/zinc/30/65/86/385306586.db2.gz NPULNCGFPWMPAI-GFCCVEGCSA-N 1 0 211.736 3.776 40 0 BHABRO CC[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532544 343476657 /nfs/dbraw/zinc/47/66/57/343476657.db2.gz PBULDVVEGGGOAG-CHWSQXEVSA-N 1 0 205.345 3.568 40 0 BHABRO CC[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532546 171340705 /nfs/dbraw/zinc/34/07/05/171340705.db2.gz PBULDVVEGGGOAG-OLZOCXBDSA-N 1 0 205.345 3.568 40 0 BHABRO CC[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532549 343476695 /nfs/dbraw/zinc/47/66/95/343476695.db2.gz PBULDVVEGGGOAG-QWHCGFSZSA-N 1 0 205.345 3.568 40 0 BHABRO CC[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532551 171340716 /nfs/dbraw/zinc/34/07/16/171340716.db2.gz PBULDVVEGGGOAG-STQMWFEESA-N 1 0 205.345 3.568 40 0 BHABRO CCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532644 384282338 /nfs/dbraw/zinc/28/23/38/384282338.db2.gz PZZFVHULLXHZPM-CYBMUJFWSA-N 1 0 205.345 3.570 40 0 BHABRO CCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000043532646 168866840 /nfs/dbraw/zinc/86/68/40/168866840.db2.gz PZZFVHULLXHZPM-ZDUSSCGKSA-N 1 0 205.345 3.570 40 0 BHABRO Cc1cc[nH+]c(NCCC2=CCCCC2)c1 ZINC000043561570 384431875 /nfs/dbraw/zinc/43/18/75/384431875.db2.gz MIAMMEHLQGJVAU-UHFFFAOYSA-N 1 0 216.328 3.692 40 0 BHABRO C[NH2+]Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000044367285 173388318 /nfs/dbraw/zinc/38/83/18/173388318.db2.gz QAOZHEGJJWBFDG-UHFFFAOYSA-N 1 0 231.726 3.726 40 0 BHABRO CC(C)CC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000044569096 363151485 /nfs/dbraw/zinc/15/14/85/363151485.db2.gz BNXGGBGIEQZOEL-LBPRGKRZSA-N 1 0 211.736 3.776 40 0 BHABRO CC(C)CC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000044569099 388612311 /nfs/dbraw/zinc/61/23/11/388612311.db2.gz BNXGGBGIEQZOEL-GFCCVEGCSA-N 1 0 211.736 3.776 40 0 BHABRO CC1CCC([C@@H]([NH3+])c2cccs2)CC1 ZINC000044983620 188296467 /nfs/dbraw/zinc/29/64/67/188296467.db2.gz VWTYDJKLCLAQKG-RTYFJBAXSA-N 1 0 209.358 3.574 40 0 BHABRO CC1CCC([C@H]([NH3+])c2ccccc2)CC1 ZINC000044983691 187606560 /nfs/dbraw/zinc/60/65/60/187606560.db2.gz YJGAVYYVIMJOLL-UXUKBGGZSA-N 1 0 203.329 3.513 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089421 353413017 /nfs/dbraw/zinc/41/30/17/353413017.db2.gz OMQMJXFYYDKGDE-GFCCVEGCSA-N 1 0 209.358 3.541 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089422 166969142 /nfs/dbraw/zinc/96/91/42/166969142.db2.gz OMQMJXFYYDKGDE-LBPRGKRZSA-N 1 0 209.358 3.541 40 0 BHABRO CC(C)(C[NH3+])Cc1c(Cl)cccc1Cl ZINC000049804180 187270680 /nfs/dbraw/zinc/27/06/80/187270680.db2.gz LVCJJXBUJFIWPW-UHFFFAOYSA-N 1 0 232.154 3.521 40 0 BHABRO CC(C)(C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000049804184 188125250 /nfs/dbraw/zinc/12/52/50/188125250.db2.gz DVKDDNHDIMJTDT-UHFFFAOYSA-N 1 0 232.154 3.521 40 0 BHABRO CC(C)(C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000049804189 187952397 /nfs/dbraw/zinc/95/23/97/187952397.db2.gz SCIXZIYSSQCMEF-UHFFFAOYSA-N 1 0 232.154 3.521 40 0 BHABRO [NH3+][C@@H](c1ccccc1)C1CCCCCC1 ZINC000053714007 384804437 /nfs/dbraw/zinc/80/44/37/384804437.db2.gz VPFUMGJRSIKPCZ-CQSZACIVSA-N 1 0 203.329 3.657 40 0 BHABRO [NH3+][C@H](c1ccccc1)C1CCCCCC1 ZINC000053714010 181632117 /nfs/dbraw/zinc/63/21/17/181632117.db2.gz VPFUMGJRSIKPCZ-AWEZNQCLSA-N 1 0 203.329 3.657 40 0 BHABRO [NH3+][C@@H](c1cccs1)C1CCCCCC1 ZINC000053714040 384805019 /nfs/dbraw/zinc/80/50/19/384805019.db2.gz MQDKEIXIIFCQMH-GFCCVEGCSA-N 1 0 209.358 3.718 40 0 BHABRO [NH3+][C@H](c1cccs1)C1CCCCCC1 ZINC000053714042 181632975 /nfs/dbraw/zinc/63/29/75/181632975.db2.gz MQDKEIXIIFCQMH-LBPRGKRZSA-N 1 0 209.358 3.718 40 0 BHABRO Cc1ccc([C@H]([NH3+])C2CCCCCC2)o1 ZINC000053714413 178906289 /nfs/dbraw/zinc/90/62/89/178906289.db2.gz NYUCCSQRZNDZFL-CYBMUJFWSA-N 1 0 207.317 3.558 40 0 BHABRO Cc1ccc([C@@H]([NH3+])C2CCCCCC2)o1 ZINC000053714415 384803402 /nfs/dbraw/zinc/80/34/02/384803402.db2.gz NYUCCSQRZNDZFL-ZDUSSCGKSA-N 1 0 207.317 3.558 40 0 BHABRO CCCCC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000053816730 385491637 /nfs/dbraw/zinc/49/16/37/385491637.db2.gz UBLLSZXJVNFGTH-LBPRGKRZSA-N 1 0 211.736 3.920 40 0 BHABRO CCCCC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000053816731 385761059 /nfs/dbraw/zinc/76/10/59/385761059.db2.gz UBLLSZXJVNFGTH-GFCCVEGCSA-N 1 0 211.736 3.920 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053906501 359025014 /nfs/dbraw/zinc/02/50/14/359025014.db2.gz QLPDHJMLMSWSLX-LLVKDONJSA-N 1 0 209.358 3.541 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053906502 359025288 /nfs/dbraw/zinc/02/52/88/359025288.db2.gz QLPDHJMLMSWSLX-NSHDSACASA-N 1 0 209.358 3.541 40 0 BHABRO CC(C)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000054438792 187272618 /nfs/dbraw/zinc/27/26/18/187272618.db2.gz SMUBSAFHWVFCAQ-HNNXBMFYSA-N 1 0 213.324 3.886 40 0 BHABRO CC(C)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000054438794 384840043 /nfs/dbraw/zinc/84/00/43/384840043.db2.gz SMUBSAFHWVFCAQ-OAHLLOKOSA-N 1 0 213.324 3.886 40 0 BHABRO C[NH2+]CC(C)(C)Cc1cccc2ccccc21 ZINC000054637817 173335771 /nfs/dbraw/zinc/33/57/71/173335771.db2.gz NERLHTCLJNWUKO-UHFFFAOYSA-N 1 0 227.351 3.628 40 0 BHABRO CC[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000055224062 384876721 /nfs/dbraw/zinc/87/67/21/384876721.db2.gz MTJHQODTFNARQD-VIFPVBQESA-N 1 0 218.127 3.664 40 0 BHABRO CC[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000055224064 384875895 /nfs/dbraw/zinc/87/58/95/384875895.db2.gz MTJHQODTFNARQD-SECBINFHSA-N 1 0 218.127 3.664 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506560 388599250 /nfs/dbraw/zinc/59/92/50/388599250.db2.gz HBZUPTIWEYOREF-CQSZACIVSA-N 1 0 221.319 3.619 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506563 388599245 /nfs/dbraw/zinc/59/92/45/388599245.db2.gz HBZUPTIWEYOREF-AWEZNQCLSA-N 1 0 221.319 3.619 40 0 BHABRO CC(C)C[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000057500983 167008208 /nfs/dbraw/zinc/00/82/08/167008208.db2.gz SBDCZTIAXOOPJF-UHFFFAOYSA-N 1 0 219.372 3.631 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000057500987 188126615 /nfs/dbraw/zinc/12/66/15/188126615.db2.gz IDCGRJUCLBQFBK-CYBMUJFWSA-N 1 0 219.372 3.773 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000057500989 171342747 /nfs/dbraw/zinc/34/27/47/171342747.db2.gz IDCGRJUCLBQFBK-ZDUSSCGKSA-N 1 0 219.372 3.773 40 0 BHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000057566670 388628430 /nfs/dbraw/zinc/62/84/30/388628430.db2.gz ANKFKDRDCMJXMR-OAHLLOKOSA-N 1 0 233.355 3.632 40 0 BHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000057566672 388628541 /nfs/dbraw/zinc/62/85/41/388628541.db2.gz ANKFKDRDCMJXMR-HNNXBMFYSA-N 1 0 233.355 3.632 40 0 BHABRO CCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057598263 259395638 /nfs/dbraw/zinc/39/56/38/259395638.db2.gz REFFIMXEEJORBS-LLVKDONJSA-N 1 0 209.358 3.685 40 0 BHABRO CCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000057598265 259395542 /nfs/dbraw/zinc/39/55/42/259395542.db2.gz REFFIMXEEJORBS-NSHDSACASA-N 1 0 209.358 3.685 40 0 BHABRO Clc1ccc([C@H]2[NH2+]CCc3ccsc32)cc1 ZINC000060176718 342920390 /nfs/dbraw/zinc/92/03/90/342920390.db2.gz KRPWVUUKZKNQCG-GFCCVEGCSA-N 1 0 249.766 3.637 40 0 BHABRO Clc1ccc([C@@H]2[NH2+]CCc3ccsc32)cc1 ZINC000060176719 342920266 /nfs/dbraw/zinc/92/02/66/342920266.db2.gz KRPWVUUKZKNQCG-LBPRGKRZSA-N 1 0 249.766 3.637 40 0 BHABRO CCCCC[C@H]([NH3+])c1ccccc1Cl ZINC000060703677 168744624 /nfs/dbraw/zinc/74/46/24/168744624.db2.gz CSCMHWYXRKWPEW-LBPRGKRZSA-N 1 0 211.736 3.920 40 0 BHABRO CCCCC[C@@H]([NH3+])c1ccccc1Cl ZINC000060703680 388613902 /nfs/dbraw/zinc/61/39/02/388613902.db2.gz CSCMHWYXRKWPEW-GFCCVEGCSA-N 1 0 211.736 3.920 40 0 BHABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000060974656 369571988 /nfs/dbraw/zinc/57/19/88/369571988.db2.gz VSMDWGGJOSCXBM-AWEZNQCLSA-N 1 0 221.319 3.763 40 0 BHABRO CCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000060997092 369580228 /nfs/dbraw/zinc/58/02/28/369580228.db2.gz JDDFGCZBYFSKCW-LBPRGKRZSA-N 1 0 209.358 3.685 40 0 BHABRO Cc1ccc2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687715 383860072 /nfs/dbraw/zinc/86/00/72/383860072.db2.gz OYKZFNSKFHKIEL-UHFFFAOYSA-N 1 0 214.312 3.557 40 0 BHABRO Cc1[nH+]c2ccc(Cl)cc2c(N)c1C(C)C ZINC000061687731 383861103 /nfs/dbraw/zinc/86/11/03/383861103.db2.gz HEMHHNQQATWOQS-UHFFFAOYSA-N 1 0 234.730 3.902 40 0 BHABRO Cc1[nH+]c2c(Cl)cccc2c(N)c1C(C)C ZINC000061687759 383860637 /nfs/dbraw/zinc/86/06/37/383860637.db2.gz NBLCULHFEYKYFF-UHFFFAOYSA-N 1 0 234.730 3.902 40 0 BHABRO C[NH2+]C[C@H](OC(C)C)c1cccc2ccccc21 ZINC000062711708 173377587 /nfs/dbraw/zinc/37/75/87/173377587.db2.gz IPXVYUFXIYIKIM-INIZCTEOSA-N 1 0 243.350 3.525 40 0 BHABRO C[NH2+]C[C@@H](OC(C)C)c1cccc2ccccc21 ZINC000062711711 173366180 /nfs/dbraw/zinc/36/61/80/173366180.db2.gz IPXVYUFXIYIKIM-MRXNPFEDSA-N 1 0 243.350 3.525 40 0 BHABRO C[NH2+]C[C@H](OC(C)C)c1ccc2ccccc2c1 ZINC000062711720 173377462 /nfs/dbraw/zinc/37/74/62/173377462.db2.gz JGFCMYMGKJUIPF-INIZCTEOSA-N 1 0 243.350 3.525 40 0 BHABRO C[NH2+]C[C@@H](OC(C)C)c1ccc2ccccc2c1 ZINC000062711724 173366517 /nfs/dbraw/zinc/36/65/17/173366517.db2.gz JGFCMYMGKJUIPF-MRXNPFEDSA-N 1 0 243.350 3.525 40 0 BHABRO CC[C@@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728889 385184618 /nfs/dbraw/zinc/18/46/18/385184618.db2.gz IPUJPMRLSXUBHB-CYBMUJFWSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728890 171355955 /nfs/dbraw/zinc/35/59/55/171355955.db2.gz IPUJPMRLSXUBHB-ZDUSSCGKSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@@H](C)Oc1ccccc1C[NH2+]CC(C)C ZINC000062729388 385185142 /nfs/dbraw/zinc/18/51/42/385185142.db2.gz AVFPOWJTDKBDIR-CYBMUJFWSA-N 1 0 235.371 3.610 40 0 BHABRO CC[C@H](C)Oc1ccccc1C[NH2+]CC(C)C ZINC000062729389 171357197 /nfs/dbraw/zinc/35/71/97/171357197.db2.gz AVFPOWJTDKBDIR-ZDUSSCGKSA-N 1 0 235.371 3.610 40 0 BHABRO Cc1ccc2[nH+]ccc(Nc3cccc(N)c3)c2c1 ZINC000064875374 388672296 /nfs/dbraw/zinc/67/22/96/388672296.db2.gz BAOUTQCRZAUDPT-UHFFFAOYSA-N 1 0 249.317 3.869 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccccc1O[C@@H](C)CC ZINC000066116184 171356964 /nfs/dbraw/zinc/35/69/64/171356964.db2.gz NAZMAYZHVNWYNE-OLZOCXBDSA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccccc1O[C@@H](C)CC ZINC000066116185 171343692 /nfs/dbraw/zinc/34/36/92/171343692.db2.gz NAZMAYZHVNWYNE-STQMWFEESA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccccc1O[C@H](C)CC ZINC000066116186 383847833 /nfs/dbraw/zinc/84/78/33/383847833.db2.gz NAZMAYZHVNWYNE-CHWSQXEVSA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@@H](C)Oc1ccccc1C[NH2+][C@@H](C)CC ZINC000066116187 171344533 /nfs/dbraw/zinc/34/45/33/171344533.db2.gz NAZMAYZHVNWYNE-QWHCGFSZSA-N 1 0 235.371 3.752 40 0 BHABRO CCCC[NH2+]Cc1ccc(O[C@@H](C)CC)cc1 ZINC000066163036 383850945 /nfs/dbraw/zinc/85/09/45/383850945.db2.gz SMHYGRQKAXNONJ-ZDUSSCGKSA-N 1 0 235.371 3.754 40 0 BHABRO CCCC[NH2+]Cc1ccc(O[C@H](C)CC)cc1 ZINC000066163037 168869689 /nfs/dbraw/zinc/86/96/89/168869689.db2.gz SMHYGRQKAXNONJ-CYBMUJFWSA-N 1 0 235.371 3.754 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)CC)cc1 ZINC000066170189 171356347 /nfs/dbraw/zinc/35/63/47/171356347.db2.gz QTAJLXVRBDOIES-OLZOCXBDSA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)CC)cc1 ZINC000066170190 171342770 /nfs/dbraw/zinc/34/27/70/171342770.db2.gz QTAJLXVRBDOIES-STQMWFEESA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)CC)cc1 ZINC000066170191 383851907 /nfs/dbraw/zinc/85/19/07/383851907.db2.gz QTAJLXVRBDOIES-CHWSQXEVSA-N 1 0 235.371 3.752 40 0 BHABRO CC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000066170192 171343433 /nfs/dbraw/zinc/34/34/33/171343433.db2.gz QTAJLXVRBDOIES-QWHCGFSZSA-N 1 0 235.371 3.752 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccccc1OCCC ZINC000066181946 383851615 /nfs/dbraw/zinc/85/16/15/383851615.db2.gz FFAFEGVIWLRDTQ-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccccc1OCCC ZINC000066181947 168877118 /nfs/dbraw/zinc/87/71/18/168877118.db2.gz FFAFEGVIWLRDTQ-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCC[NH2+]Cc1ccccc1O[C@@H](C)CC ZINC000066182031 383851198 /nfs/dbraw/zinc/85/11/98/383851198.db2.gz OSTILXXQODFPKB-ZDUSSCGKSA-N 1 0 235.371 3.754 40 0 BHABRO CCCC[NH2+]Cc1ccccc1O[C@H](C)CC ZINC000066182032 383850549 /nfs/dbraw/zinc/85/05/49/383850549.db2.gz OSTILXXQODFPKB-CYBMUJFWSA-N 1 0 235.371 3.754 40 0 BHABRO CCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000067799109 383947474 /nfs/dbraw/zinc/94/74/74/383947474.db2.gz SXHVGGPXFLQATA-UHFFFAOYSA-N 1 0 219.372 3.775 40 0 BHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069611135 384068638 /nfs/dbraw/zinc/06/86/38/384068638.db2.gz FAFPPGFKFQKBDL-CQSZACIVSA-N 1 0 233.355 3.632 40 0 BHABRO CCCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069611136 384068105 /nfs/dbraw/zinc/06/81/05/384068105.db2.gz FAFPPGFKFQKBDL-AWEZNQCLSA-N 1 0 233.355 3.632 40 0 BHABRO C[NH2+][C@@H](C)/C=C/c1ccc(Cl)cc1Cl ZINC000070452963 322904946 /nfs/dbraw/zinc/90/49/46/322904946.db2.gz TXJGCTMVEARZAQ-RTMURIBGSA-N 1 0 230.138 3.615 40 0 BHABRO C[NH2+][C@H](C)/C=C/c1ccc(Cl)cc1Cl ZINC000070452964 322904953 /nfs/dbraw/zinc/90/49/53/322904953.db2.gz TXJGCTMVEARZAQ-MPJRPATESA-N 1 0 230.138 3.615 40 0 BHABRO [NH3+][C@@H](c1cccc2ccccc21)C1CCC1 ZINC000070679860 487797183 /nfs/dbraw/zinc/79/71/83/487797183.db2.gz JYGQCCRLNZXIHS-OAHLLOKOSA-N 1 0 211.308 3.640 40 0 BHABRO [NH3+][C@H](c1cccc2ccccc21)C1CCC1 ZINC000070679862 181632226 /nfs/dbraw/zinc/63/22/26/181632226.db2.gz JYGQCCRLNZXIHS-HNNXBMFYSA-N 1 0 211.308 3.640 40 0 BHABRO Cc1ccc(OC(C)C)c(C[NH2+]C(C)(C)C)c1 ZINC000071407190 259522927 /nfs/dbraw/zinc/52/29/27/259522927.db2.gz LSOPQUYFRUNIHW-UHFFFAOYSA-N 1 0 235.371 3.670 40 0 BHABRO [NH3+]C1(c2ccc3c(c2)CCCC3)CCCCC1 ZINC000071534283 181334123 /nfs/dbraw/zinc/33/41/23/181334123.db2.gz DTSZYNCZWNULCK-UHFFFAOYSA-N 1 0 229.367 3.684 40 0 BHABRO [NH3+]CCc1ccc(/C=C\C2CCCCC2)cc1 ZINC000071603270 384170598 /nfs/dbraw/zinc/17/05/98/384170598.db2.gz WLYDHKGNJKKYEZ-SREVYHEPSA-N 1 0 229.367 3.781 40 0 BHABRO Cc1cccc([C@@H]2CCCC[N@H+]2CC(C)C)n1 ZINC000072211099 259317425 /nfs/dbraw/zinc/31/74/25/259317425.db2.gz NXRZHABZPAFDBU-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1cccc([C@H]2CCCC[N@H+]2CC(C)C)n1 ZINC000072211100 259317260 /nfs/dbraw/zinc/31/72/60/259317260.db2.gz NXRZHABZPAFDBU-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccc(C)n1 ZINC000072211101 259317444 /nfs/dbraw/zinc/31/74/44/259317444.db2.gz NWXKSMZTTUNTSF-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1cccc(C)n1 ZINC000072211102 259317450 /nfs/dbraw/zinc/31/74/50/259317450.db2.gz NWXKSMZTTUNTSF-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1cccnc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072211153 385068664 /nfs/dbraw/zinc/06/86/64/385068664.db2.gz HTJMGLOTYNMOAC-AWEZNQCLSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1cccnc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072211154 385068602 /nfs/dbraw/zinc/06/86/02/385068602.db2.gz HTJMGLOTYNMOAC-CQSZACIVSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ncccc1C ZINC000072211155 385068163 /nfs/dbraw/zinc/06/81/63/385068163.db2.gz MHPNCAYNJNRUSS-CQSZACIVSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ncccc1C ZINC000072211156 385067836 /nfs/dbraw/zinc/06/78/36/385067836.db2.gz MHPNCAYNJNRUSS-AWEZNQCLSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1ccnc([C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072211207 385067917 /nfs/dbraw/zinc/06/79/17/385067917.db2.gz YUTYBGGZMFBHAE-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1ccnc([C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072211208 385067931 /nfs/dbraw/zinc/06/79/31/385067931.db2.gz YUTYBGGZMFBHAE-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cc(C)ccn1 ZINC000072211209 259317456 /nfs/dbraw/zinc/31/74/56/259317456.db2.gz FNMOEAKUEWJSGG-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1cc(C)ccn1 ZINC000072211210 259317475 /nfs/dbraw/zinc/31/74/75/259317475.db2.gz FNMOEAKUEWJSGG-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072211258 385067948 /nfs/dbraw/zinc/06/79/48/385067948.db2.gz AKYOGOMCJMITRR-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072211259 259524329 /nfs/dbraw/zinc/52/43/29/259524329.db2.gz AKYOGOMCJMITRR-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)nc1 ZINC000072211260 385067224 /nfs/dbraw/zinc/06/72/24/385067224.db2.gz FDGOZPQHNTXLII-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(C)nc1 ZINC000072211261 385067053 /nfs/dbraw/zinc/06/70/53/385067053.db2.gz FDGOZPQHNTXLII-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072211310 385071320 /nfs/dbraw/zinc/07/13/20/385071320.db2.gz XMCZRINOSPUDPS-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072211311 385072663 /nfs/dbraw/zinc/07/26/63/385072663.db2.gz XMCZRINOSPUDPS-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1C ZINC000072211312 385070620 /nfs/dbraw/zinc/07/06/20/385070620.db2.gz FIBBYERWLMLCKD-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1C ZINC000072211313 385070841 /nfs/dbraw/zinc/07/08/41/385070841.db2.gz FIBBYERWLMLCKD-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1cncc([C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072211362 385071332 /nfs/dbraw/zinc/07/13/32/385071332.db2.gz MCENCINDEHZVRZ-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1cncc([C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000072211363 385071233 /nfs/dbraw/zinc/07/12/33/385071233.db2.gz MCENCINDEHZVRZ-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cncc(C)c1 ZINC000072211364 385070814 /nfs/dbraw/zinc/07/08/14/385070814.db2.gz CYIXHDHQJDPWKF-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1cncc(C)c1 ZINC000072211365 385072868 /nfs/dbraw/zinc/07/28/68/385072868.db2.gz CYIXHDHQJDPWKF-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1ccncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072211417 385070952 /nfs/dbraw/zinc/07/09/52/385070952.db2.gz VMHZWGNYISQLJF-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1ccncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072211418 385070310 /nfs/dbraw/zinc/07/03/10/385070310.db2.gz VMHZWGNYISQLJF-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnccc1C ZINC000072211419 385071579 /nfs/dbraw/zinc/07/15/79/385071579.db2.gz JVQMNDZATYMDHT-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1cnccc1C ZINC000072211420 385071243 /nfs/dbraw/zinc/07/12/43/385071243.db2.gz JVQMNDZATYMDHT-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)cnc1Cl ZINC000072217779 259318110 /nfs/dbraw/zinc/31/81/10/259318110.db2.gz VBMFAOYEHRNFMS-LBPRGKRZSA-N 1 0 238.762 3.589 40 0 BHABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)cnc1Cl ZINC000072217780 259318159 /nfs/dbraw/zinc/31/81/59/259318159.db2.gz VBMFAOYEHRNFMS-GFCCVEGCSA-N 1 0 238.762 3.589 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217781 259318103 /nfs/dbraw/zinc/31/81/03/259318103.db2.gz ALEHXIXZDPGGKT-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217782 259318138 /nfs/dbraw/zinc/31/81/38/259318138.db2.gz ALEHXIXZDPGGKT-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217796 259528801 /nfs/dbraw/zinc/52/88/01/259528801.db2.gz QOIXBBOWVPSHNC-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217797 385093099 /nfs/dbraw/zinc/09/30/99/385093099.db2.gz QOIXBBOWVPSHNC-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO Cc1cc(Cl)ncc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072217839 385094758 /nfs/dbraw/zinc/09/47/58/385094758.db2.gz ULNDSWTUYCGMJM-LBPRGKRZSA-N 1 0 238.762 3.589 40 0 BHABRO Cc1cc(Cl)ncc1[C@H]1CCC[N@H+]1C(C)C ZINC000072217840 385093225 /nfs/dbraw/zinc/09/32/25/385093225.db2.gz ULNDSWTUYCGMJM-GFCCVEGCSA-N 1 0 238.762 3.589 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217841 385092578 /nfs/dbraw/zinc/09/25/78/385092578.db2.gz JQOPBKJSZXDEGW-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1cnc(Cl)cc1C ZINC000072217842 385094899 /nfs/dbraw/zinc/09/48/99/385094899.db2.gz JQOPBKJSZXDEGW-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217856 385093120 /nfs/dbraw/zinc/09/31/20/385093120.db2.gz LFJIQHTZYVLMFC-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1cnc(Cl)cc1C ZINC000072217857 385093271 /nfs/dbraw/zinc/09/32/71/385093271.db2.gz LFJIQHTZYVLMFC-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO Cc1nc(Cl)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072217899 385095135 /nfs/dbraw/zinc/09/51/35/385095135.db2.gz HIDTXZYYWFIPKY-LBPRGKRZSA-N 1 0 238.762 3.589 40 0 BHABRO Cc1nc(Cl)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072217900 385093811 /nfs/dbraw/zinc/09/38/11/385093811.db2.gz HIDTXZYYWFIPKY-GFCCVEGCSA-N 1 0 238.762 3.589 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217901 259528730 /nfs/dbraw/zinc/52/87/30/259528730.db2.gz RBRUFXMLOWDDFB-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)nc1C ZINC000072217902 385094578 /nfs/dbraw/zinc/09/45/78/385094578.db2.gz RBRUFXMLOWDDFB-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217916 385094595 /nfs/dbraw/zinc/09/45/95/385094595.db2.gz NAOIBKBNTKJQDZ-GFCCVEGCSA-N 1 0 238.762 3.590 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1C ZINC000072217917 385092666 /nfs/dbraw/zinc/09/26/66/385092666.db2.gz NAOIBKBNTKJQDZ-LBPRGKRZSA-N 1 0 238.762 3.590 40 0 BHABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)ccn1 ZINC000072219479 259318885 /nfs/dbraw/zinc/31/88/85/259318885.db2.gz LVLUWRCLFFPLQP-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)ccn1 ZINC000072219480 259318814 /nfs/dbraw/zinc/31/88/14/259318814.db2.gz LVLUWRCLFFPLQP-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccnc(C)c1 ZINC000072219481 259318852 /nfs/dbraw/zinc/31/88/52/259318852.db2.gz UAILTRSFPFTYHK-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccnc(C)c1 ZINC000072219482 259318720 /nfs/dbraw/zinc/31/87/20/259318720.db2.gz UAILTRSFPFTYHK-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO Cc1cnccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072219535 259530557 /nfs/dbraw/zinc/53/05/57/259530557.db2.gz LNWPSGXPRFQEGT-HNNXBMFYSA-N 1 0 232.371 3.573 40 0 BHABRO Cc1cnccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072219536 259530571 /nfs/dbraw/zinc/53/05/71/259530571.db2.gz LNWPSGXPRFQEGT-OAHLLOKOSA-N 1 0 232.371 3.573 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccncc1C ZINC000072219537 388615009 /nfs/dbraw/zinc/61/50/09/388615009.db2.gz LJWOZEYLZPJAAA-OAHLLOKOSA-N 1 0 232.371 3.717 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccncc1C ZINC000072219538 259319053 /nfs/dbraw/zinc/31/90/53/259319053.db2.gz LJWOZEYLZPJAAA-HNNXBMFYSA-N 1 0 232.371 3.717 40 0 BHABRO CC(C)[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219566 385106556 /nfs/dbraw/zinc/10/65/56/385106556.db2.gz ISVVHSDJIYIBQN-MRXNPFEDSA-N 1 0 240.350 3.780 40 0 BHABRO CC(C)[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000072219567 385108217 /nfs/dbraw/zinc/10/82/17/385108217.db2.gz ISVVHSDJIYIBQN-INIZCTEOSA-N 1 0 240.350 3.780 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219568 385107177 /nfs/dbraw/zinc/10/71/77/385107177.db2.gz CKJMSXCJWVKHAR-MRXNPFEDSA-N 1 0 240.350 3.782 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000072219569 385107072 /nfs/dbraw/zinc/10/70/72/385107072.db2.gz CKJMSXCJWVKHAR-INIZCTEOSA-N 1 0 240.350 3.782 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219581 385107626 /nfs/dbraw/zinc/10/76/26/385107626.db2.gz JRCLBUKTINLEGR-MRXNPFEDSA-N 1 0 240.350 3.782 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219582 385106593 /nfs/dbraw/zinc/10/65/93/385106593.db2.gz JRCLBUKTINLEGR-INIZCTEOSA-N 1 0 240.350 3.782 40 0 BHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000072221477 259530999 /nfs/dbraw/zinc/53/09/99/259530999.db2.gz LZIHGLHZDYUAMJ-CQSZACIVSA-N 1 0 233.355 3.632 40 0 BHABRO CCC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000072221478 385107537 /nfs/dbraw/zinc/10/75/37/385107537.db2.gz LZIHGLHZDYUAMJ-AWEZNQCLSA-N 1 0 233.355 3.632 40 0 BHABRO COc1ccccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072221479 385108069 /nfs/dbraw/zinc/10/80/69/385108069.db2.gz VHZMEPQWDUMBMJ-CQSZACIVSA-N 1 0 233.355 3.631 40 0 BHABRO COc1ccccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072221480 385107433 /nfs/dbraw/zinc/10/74/33/385107433.db2.gz VHZMEPQWDUMBMJ-AWEZNQCLSA-N 1 0 233.355 3.631 40 0 BHABRO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072221481 385106301 /nfs/dbraw/zinc/10/63/01/385106301.db2.gz FTMUKZFSVZCCFR-OAHLLOKOSA-N 1 0 247.382 3.878 40 0 BHABRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072221482 385108137 /nfs/dbraw/zinc/10/81/37/385108137.db2.gz FTMUKZFSVZCCFR-HNNXBMFYSA-N 1 0 247.382 3.878 40 0 BHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(OC)cc1 ZINC000072221513 385107859 /nfs/dbraw/zinc/10/78/59/385107859.db2.gz NSGULPXWKNJHHW-OAHLLOKOSA-N 1 0 233.355 3.632 40 0 BHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(OC)cc1 ZINC000072221514 385107093 /nfs/dbraw/zinc/10/70/93/385107093.db2.gz NSGULPXWKNJHHW-HNNXBMFYSA-N 1 0 233.355 3.632 40 0 BHABRO COc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000072221515 385106656 /nfs/dbraw/zinc/10/66/56/385106656.db2.gz IIKKDXLTPBJVHS-OAHLLOKOSA-N 1 0 233.355 3.631 40 0 BHABRO COc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000072221516 385107670 /nfs/dbraw/zinc/10/76/70/385107670.db2.gz IIKKDXLTPBJVHS-HNNXBMFYSA-N 1 0 233.355 3.631 40 0 BHABRO COc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000072221517 385106397 /nfs/dbraw/zinc/10/63/97/385106397.db2.gz SEDXZDJNRXSKSE-MRXNPFEDSA-N 1 0 247.382 3.878 40 0 BHABRO COc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000072221518 385106262 /nfs/dbraw/zinc/10/62/62/385106262.db2.gz SEDXZDJNRXSKSE-INIZCTEOSA-N 1 0 247.382 3.878 40 0 BHABRO c1coc([C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072221536 344514976 /nfs/dbraw/zinc/51/49/76/344514976.db2.gz YJTDMVSOVQMGGB-CQSZACIVSA-N 1 0 227.307 3.617 40 0 BHABRO c1coc([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072221537 344515074 /nfs/dbraw/zinc/51/50/74/344515074.db2.gz YJTDMVSOVQMGGB-AWEZNQCLSA-N 1 0 227.307 3.617 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000072221565 259320115 /nfs/dbraw/zinc/32/01/15/259320115.db2.gz HTLJCKNFRYGEJW-GFCCVEGCSA-N 1 0 207.317 3.607 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000072221566 259320377 /nfs/dbraw/zinc/32/03/77/259320377.db2.gz HTLJCKNFRYGEJW-LBPRGKRZSA-N 1 0 207.317 3.607 40 0 BHABRO c1cc([C@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000072221588 385106242 /nfs/dbraw/zinc/10/62/42/385106242.db2.gz ICTXNHNUHBWSDG-OAHLLOKOSA-N 1 0 227.307 3.617 40 0 BHABRO c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000072221589 259320182 /nfs/dbraw/zinc/32/01/82/259320182.db2.gz ICTXNHNUHBWSDG-HNNXBMFYSA-N 1 0 227.307 3.617 40 0 BHABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccoc1 ZINC000072221620 259320363 /nfs/dbraw/zinc/32/03/63/259320363.db2.gz CCLZNWWRBMWABN-CYBMUJFWSA-N 1 0 207.317 3.607 40 0 BHABRO CCCC[N@@H+]1CCCC[C@H]1c1ccoc1 ZINC000072221621 259320138 /nfs/dbraw/zinc/32/01/38/259320138.db2.gz CCLZNWWRBMWABN-ZDUSSCGKSA-N 1 0 207.317 3.607 40 0 BHABRO CCC[N@@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221652 385106497 /nfs/dbraw/zinc/10/64/97/385106497.db2.gz HLXFEGNYGCEJHL-LLVKDONJSA-N 1 0 209.358 3.685 40 0 BHABRO CCC[N@@H+]1CCCC[C@H]1c1cccs1 ZINC000072221653 385108082 /nfs/dbraw/zinc/10/80/82/385108082.db2.gz HLXFEGNYGCEJHL-NSHDSACASA-N 1 0 209.358 3.685 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221654 385108054 /nfs/dbraw/zinc/10/80/54/385108054.db2.gz XPSOFLLLDZEUSQ-LLVKDONJSA-N 1 0 209.358 3.684 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccs1 ZINC000072221655 385107911 /nfs/dbraw/zinc/10/79/11/385107911.db2.gz XPSOFLLLDZEUSQ-NSHDSACASA-N 1 0 209.358 3.684 40 0 BHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221656 385107314 /nfs/dbraw/zinc/10/73/14/385107314.db2.gz VDQZQDWAUZJRJY-GFCCVEGCSA-N 1 0 223.385 3.931 40 0 BHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccs1 ZINC000072221657 259531115 /nfs/dbraw/zinc/53/11/15/259531115.db2.gz VDQZQDWAUZJRJY-LBPRGKRZSA-N 1 0 223.385 3.931 40 0 BHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000072221686 344514835 /nfs/dbraw/zinc/51/48/35/344514835.db2.gz JDDFGCZBYFSKCW-GFCCVEGCSA-N 1 0 209.358 3.685 40 0 BHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221692 385108109 /nfs/dbraw/zinc/10/81/09/385108109.db2.gz XIRXKGHDDRYGOJ-GFCCVEGCSA-N 1 0 209.358 3.685 40 0 BHABRO CCC[N@@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221693 385108230 /nfs/dbraw/zinc/10/82/30/385108230.db2.gz XIRXKGHDDRYGOJ-LBPRGKRZSA-N 1 0 209.358 3.685 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221694 385107749 /nfs/dbraw/zinc/10/77/49/385107749.db2.gz XDWURTZLUOMFMX-GFCCVEGCSA-N 1 0 209.358 3.684 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221695 385108326 /nfs/dbraw/zinc/10/83/26/385108326.db2.gz XDWURTZLUOMFMX-LBPRGKRZSA-N 1 0 209.358 3.684 40 0 BHABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221696 259531021 /nfs/dbraw/zinc/53/10/21/259531021.db2.gz UHRWFTYPJZFZRI-CYBMUJFWSA-N 1 0 223.385 3.931 40 0 BHABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221697 259320134 /nfs/dbraw/zinc/32/01/34/259320134.db2.gz UHRWFTYPJZFZRI-ZDUSSCGKSA-N 1 0 223.385 3.931 40 0 BHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221731 385109700 /nfs/dbraw/zinc/10/97/00/385109700.db2.gz FFUGSVFJRHRXRJ-OAHLLOKOSA-N 1 0 228.339 3.713 40 0 BHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221732 259530774 /nfs/dbraw/zinc/53/07/74/259530774.db2.gz FFUGSVFJRHRXRJ-HNNXBMFYSA-N 1 0 228.339 3.713 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221733 385110837 /nfs/dbraw/zinc/11/08/37/385110837.db2.gz MKYDDJGRPPDIMQ-OAHLLOKOSA-N 1 0 228.339 3.715 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221734 385111077 /nfs/dbraw/zinc/11/10/77/385111077.db2.gz MKYDDJGRPPDIMQ-HNNXBMFYSA-N 1 0 228.339 3.715 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221735 259319946 /nfs/dbraw/zinc/31/99/46/259319946.db2.gz AUHZPHYUPZUMQH-MRXNPFEDSA-N 1 0 242.366 3.961 40 0 BHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221736 259319975 /nfs/dbraw/zinc/31/99/75/259319975.db2.gz AUHZPHYUPZUMQH-INIZCTEOSA-N 1 0 242.366 3.961 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221748 259530989 /nfs/dbraw/zinc/53/09/89/259530989.db2.gz NJPACXYOVHXRTC-OAHLLOKOSA-N 1 0 228.339 3.715 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221749 385109745 /nfs/dbraw/zinc/10/97/45/385109745.db2.gz NJPACXYOVHXRTC-HNNXBMFYSA-N 1 0 228.339 3.715 40 0 BHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221786 385110982 /nfs/dbraw/zinc/11/09/82/385110982.db2.gz JVGWYNNCLOPTGP-MRXNPFEDSA-N 1 0 240.350 3.780 40 0 BHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000072221787 385110107 /nfs/dbraw/zinc/11/01/07/385110107.db2.gz JVGWYNNCLOPTGP-INIZCTEOSA-N 1 0 240.350 3.780 40 0 BHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221788 385110046 /nfs/dbraw/zinc/11/00/46/385110046.db2.gz AXEXPZHMHALWFJ-MRXNPFEDSA-N 1 0 240.350 3.782 40 0 BHABRO CCC[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000072221789 385109922 /nfs/dbraw/zinc/10/99/22/385109922.db2.gz AXEXPZHMHALWFJ-INIZCTEOSA-N 1 0 240.350 3.782 40 0 BHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221803 259320344 /nfs/dbraw/zinc/32/03/44/259320344.db2.gz WWRUEKJCDZZMQJ-MRXNPFEDSA-N 1 0 240.350 3.782 40 0 BHABRO CC[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221804 259320372 /nfs/dbraw/zinc/32/03/72/259320372.db2.gz WWRUEKJCDZZMQJ-INIZCTEOSA-N 1 0 240.350 3.782 40 0 BHABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000072221840 259319917 /nfs/dbraw/zinc/31/99/17/259319917.db2.gz VSMDWGGJOSCXBM-CQSZACIVSA-N 1 0 221.319 3.763 40 0 BHABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221846 259319925 /nfs/dbraw/zinc/31/99/25/259319925.db2.gz MRWZAPZWMPVFRM-CQSZACIVSA-N 1 0 221.319 3.763 40 0 BHABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221847 259320062 /nfs/dbraw/zinc/32/00/62/259320062.db2.gz MRWZAPZWMPVFRM-AWEZNQCLSA-N 1 0 221.319 3.763 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221848 259320032 /nfs/dbraw/zinc/32/00/32/259320032.db2.gz FKSUKGOYZJUGNE-CQSZACIVSA-N 1 0 221.319 3.761 40 0 BHABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221849 259320259 /nfs/dbraw/zinc/32/02/59/259320259.db2.gz FKSUKGOYZJUGNE-AWEZNQCLSA-N 1 0 221.319 3.761 40 0 BHABRO CC[C@H]([NH3+])c1cnc(Oc2ccccc2)c(C)c1 ZINC000072222126 259531020 /nfs/dbraw/zinc/53/10/20/259531020.db2.gz FVNQXUZGOREYLB-AWEZNQCLSA-N 1 0 242.322 3.592 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(Oc2ccccc2)c(C)c1 ZINC000072222127 385110807 /nfs/dbraw/zinc/11/08/07/385110807.db2.gz FVNQXUZGOREYLB-CQSZACIVSA-N 1 0 242.322 3.592 40 0 BHABRO Cc1cc([C@@H](C)[NH3+])cnc1Sc1ccccc1 ZINC000072222150 385110931 /nfs/dbraw/zinc/11/09/31/385110931.db2.gz AVTRYWKMAPSKQO-LLVKDONJSA-N 1 0 244.363 3.561 40 0 BHABRO Cc1cc([C@H](C)[NH3+])cnc1Sc1ccccc1 ZINC000072222151 385109240 /nfs/dbraw/zinc/10/92/40/385109240.db2.gz AVTRYWKMAPSKQO-NSHDSACASA-N 1 0 244.363 3.561 40 0 BHABRO CC[C@H]([NH3+])c1cnc(Nc2ccccc2)c(C)c1 ZINC000072222283 385111132 /nfs/dbraw/zinc/11/11/32/385111132.db2.gz MGBRHIPWBGWREE-AWEZNQCLSA-N 1 0 241.338 3.543 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(Nc2ccccc2)c(C)c1 ZINC000072222284 385110167 /nfs/dbraw/zinc/11/01/67/385110167.db2.gz MGBRHIPWBGWREE-CQSZACIVSA-N 1 0 241.338 3.543 40 0 BHABRO CC[C@H]([NH3+])c1cnc(SC(C)(C)C)c(C)c1 ZINC000072222826 259320665 /nfs/dbraw/zinc/32/06/65/259320665.db2.gz DMVAECJLMPJZKS-NSHDSACASA-N 1 0 238.400 3.690 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(SC(C)(C)C)c(C)c1 ZINC000072222827 259320877 /nfs/dbraw/zinc/32/08/77/259320877.db2.gz DMVAECJLMPJZKS-LLVKDONJSA-N 1 0 238.400 3.690 40 0 BHABRO CC[C@H]([NH3+])c1cnc(Oc2ccccc2)cc1C ZINC000072223162 385112394 /nfs/dbraw/zinc/11/23/94/385112394.db2.gz QGJWTRKWAGZCLX-AWEZNQCLSA-N 1 0 242.322 3.592 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(Oc2ccccc2)cc1C ZINC000072223163 385113139 /nfs/dbraw/zinc/11/31/39/385113139.db2.gz QGJWTRKWAGZCLX-CQSZACIVSA-N 1 0 242.322 3.592 40 0 BHABRO Cc1cc(Sc2ccccc2)ncc1[C@@H](C)[NH3+] ZINC000072223186 385112531 /nfs/dbraw/zinc/11/25/31/385112531.db2.gz KLJUYZCCBSZIDB-LLVKDONJSA-N 1 0 244.363 3.561 40 0 BHABRO Cc1cc(Sc2ccccc2)ncc1[C@H](C)[NH3+] ZINC000072223187 385113130 /nfs/dbraw/zinc/11/31/30/385113130.db2.gz KLJUYZCCBSZIDB-NSHDSACASA-N 1 0 244.363 3.561 40 0 BHABRO CCCN(CCC)c1cc(C)c(C(=O)CC)cn1 ZINC000072223285 385112779 /nfs/dbraw/zinc/11/27/79/385112779.db2.gz LSVYCQRKGRDKQX-UHFFFAOYSA-N 1 0 248.370 3.609 40 0 BHABRO C=Cc1cnc(N(CCC)CCC)cc1C ZINC000072223299 385112326 /nfs/dbraw/zinc/11/23/26/385112326.db2.gz CPEQHBYDNXIDMM-UHFFFAOYSA-N 1 0 218.344 3.659 40 0 BHABRO CC[C@H](O)c1cnc(Nc2ccccc2)cc1C ZINC000072223316 385112465 /nfs/dbraw/zinc/11/24/65/385112465.db2.gz CUHYSOUTNOSTEF-AWEZNQCLSA-N 1 0 242.322 3.577 40 0 BHABRO CC[C@@H](O)c1cnc(Nc2ccccc2)cc1C ZINC000072223317 385112455 /nfs/dbraw/zinc/11/24/55/385112455.db2.gz CUHYSOUTNOSTEF-CQSZACIVSA-N 1 0 242.322 3.577 40 0 BHABRO CC[C@H]([NH3+])c1cnc(Nc2ccccc2)cc1C ZINC000072223322 385113025 /nfs/dbraw/zinc/11/30/25/385113025.db2.gz GHIVEZVOZNEGLJ-AWEZNQCLSA-N 1 0 241.338 3.543 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(Nc2ccccc2)cc1C ZINC000072223323 259531697 /nfs/dbraw/zinc/53/16/97/259531697.db2.gz GHIVEZVOZNEGLJ-CQSZACIVSA-N 1 0 241.338 3.543 40 0 BHABRO C=Cc1cnc(Nc2ccccc2)cc1C ZINC000072223326 385112521 /nfs/dbraw/zinc/11/25/21/385112521.db2.gz KFYFCKWENNNPFG-UHFFFAOYSA-N 1 0 210.280 3.777 40 0 BHABRO C=Cc1cnc(N(C)c2ccccc2)cc1C ZINC000072223353 385113424 /nfs/dbraw/zinc/11/34/24/385113424.db2.gz WQSLVVQCUWJGIQ-UHFFFAOYSA-N 1 0 224.307 3.801 40 0 BHABRO C=Cc1cnc(NCc2ccccc2)cc1C ZINC000072223380 385112339 /nfs/dbraw/zinc/11/23/39/385112339.db2.gz JSQYGNPDCIALEY-UHFFFAOYSA-N 1 0 224.307 3.645 40 0 BHABRO C=Cc1cnc(N(C)Cc2ccccc2)cc1C ZINC000072223407 385112187 /nfs/dbraw/zinc/11/21/87/385112187.db2.gz SQOBTJHHLBMNKO-UHFFFAOYSA-N 1 0 238.334 3.669 40 0 BHABRO CC[C@H]([NH3+])c1cnc(SC(C)(C)C)cc1C ZINC000072223870 259321600 /nfs/dbraw/zinc/32/16/00/259321600.db2.gz OVWMUOVFDSVIDB-NSHDSACASA-N 1 0 238.400 3.690 40 0 BHABRO CC[C@@H]([NH3+])c1cnc(SC(C)(C)C)cc1C ZINC000072223871 259321510 /nfs/dbraw/zinc/32/15/10/259321510.db2.gz OVWMUOVFDSVIDB-LLVKDONJSA-N 1 0 238.400 3.690 40 0 BHABRO CC[C@H]([NH3+])c1ccc(Oc2ccccc2)nc1C ZINC000072224205 385115719 /nfs/dbraw/zinc/11/57/19/385115719.db2.gz NTXWTMSFOBYXMX-AWEZNQCLSA-N 1 0 242.322 3.592 40 0 BHABRO CC[C@@H]([NH3+])c1ccc(Oc2ccccc2)nc1C ZINC000072224206 385114950 /nfs/dbraw/zinc/11/49/50/385114950.db2.gz NTXWTMSFOBYXMX-CQSZACIVSA-N 1 0 242.322 3.592 40 0 BHABRO Cc1nc(Sc2ccccc2)ccc1[C@@H](C)[NH3+] ZINC000072224229 385115967 /nfs/dbraw/zinc/11/59/67/385115967.db2.gz NQJNFFFHLIKYRQ-SNVBAGLBSA-N 1 0 244.363 3.561 40 0 BHABRO Cc1nc(Sc2ccccc2)ccc1[C@H](C)[NH3+] ZINC000072224230 259532769 /nfs/dbraw/zinc/53/27/69/259532769.db2.gz NQJNFFFHLIKYRQ-JTQLQIEISA-N 1 0 244.363 3.561 40 0 BHABRO CC[C@H]([NH3+])c1ccc(Nc2ccccc2)nc1C ZINC000072224364 385119788 /nfs/dbraw/zinc/11/97/88/385119788.db2.gz MCDUSBZHRQWGRZ-AWEZNQCLSA-N 1 0 241.338 3.543 40 0 BHABRO CC[C@@H]([NH3+])c1ccc(Nc2ccccc2)nc1C ZINC000072224365 259532540 /nfs/dbraw/zinc/53/25/40/259532540.db2.gz MCDUSBZHRQWGRZ-CQSZACIVSA-N 1 0 241.338 3.543 40 0 BHABRO CC[C@H]([NH3+])c1ccc(SC(C)(C)C)nc1C ZINC000072224912 259322111 /nfs/dbraw/zinc/32/21/11/259322111.db2.gz DJYIHNMPDNVAHB-NSHDSACASA-N 1 0 238.400 3.690 40 0 BHABRO CC[C@@H]([NH3+])c1ccc(SC(C)(C)C)nc1C ZINC000072224913 259321795 /nfs/dbraw/zinc/32/17/95/259321795.db2.gz DJYIHNMPDNVAHB-LLVKDONJSA-N 1 0 238.400 3.690 40 0 BHABRO C=Cc1ccc(N2CCc3ccccc32)nc1C ZINC000072224997 385121569 /nfs/dbraw/zinc/12/15/69/385121569.db2.gz RRRLMWKIVPJWMT-UHFFFAOYSA-N 1 0 236.318 3.727 40 0 BHABRO CC[C@H]([NH3+])c1ccc(Sc2ccccc2)nc1 ZINC000072225204 385121758 /nfs/dbraw/zinc/12/17/58/385121758.db2.gz NEVWPHOPEHHYEF-ZDUSSCGKSA-N 1 0 244.363 3.643 40 0 BHABRO CC[C@@H]([NH3+])c1ccc(Sc2ccccc2)nc1 ZINC000072225205 385122277 /nfs/dbraw/zinc/12/22/77/385122277.db2.gz NEVWPHOPEHHYEF-CYBMUJFWSA-N 1 0 244.363 3.643 40 0 BHABRO C[C@H]([NH3+])c1ccc(SC2CCCCC2)nc1 ZINC000072225725 259533696 /nfs/dbraw/zinc/53/36/96/259533696.db2.gz ZAEOJANIFIVPFX-JTQLQIEISA-N 1 0 236.384 3.526 40 0 BHABRO C[C@@H]([NH3+])c1ccc(SC2CCCCC2)nc1 ZINC000072225726 259533912 /nfs/dbraw/zinc/53/39/12/259533912.db2.gz ZAEOJANIFIVPFX-SNVBAGLBSA-N 1 0 236.384 3.526 40 0 BHABRO CCCc1ccc(CNc2ncccc2C)cc1 ZINC000072226343 385125655 /nfs/dbraw/zinc/12/56/55/385125655.db2.gz OHUWYBCYJGGERX-UHFFFAOYSA-N 1 0 240.350 3.955 40 0 BHABRO CC(C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072344543 384207206 /nfs/dbraw/zinc/20/72/06/384207206.db2.gz JPCJXXVQCNRRPE-GFCCVEGCSA-N 1 0 246.379 3.842 40 0 BHABRO CC(C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072344544 188306618 /nfs/dbraw/zinc/30/66/18/188306618.db2.gz JPCJXXVQCNRRPE-LBPRGKRZSA-N 1 0 246.379 3.842 40 0 BHABRO c1cc(C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000072348427 183335750 /nfs/dbraw/zinc/33/57/50/183335750.db2.gz DQTHQDAEAVEFNX-UHFFFAOYSA-N 1 0 244.382 3.594 40 0 BHABRO c1ccc(C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000072348429 183390088 /nfs/dbraw/zinc/39/00/88/183390088.db2.gz QABKPPUWCOLKCR-UHFFFAOYSA-N 1 0 244.382 3.594 40 0 BHABRO Cc1ccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC000072356820 384211648 /nfs/dbraw/zinc/21/16/48/384211648.db2.gz COMPITFZJNLWHT-CQSZACIVSA-N 1 0 244.382 3.512 40 0 BHABRO Cc1ccc([C@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC000072356821 178919172 /nfs/dbraw/zinc/91/91/72/178919172.db2.gz COMPITFZJNLWHT-AWEZNQCLSA-N 1 0 244.382 3.512 40 0 BHABRO CCC[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000072398309 521690561 /nfs/dbraw/zinc/69/05/61/521690561.db2.gz LLQBQDJMGWVZII-UHFFFAOYSA-N 1 0 246.379 3.555 40 0 BHABRO Cc1[nH]c2ccc(Cl)cc2c1C1CC[NH2+]CC1 ZINC000075080524 384723948 /nfs/dbraw/zinc/72/39/48/384723948.db2.gz LINSEQUDGLPNDD-UHFFFAOYSA-N 1 0 248.757 3.597 40 0 BHABRO C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000075824426 384041821 /nfs/dbraw/zinc/04/18/21/384041821.db2.gz JLNXYERYHIEKKQ-UHFFFAOYSA-N 1 0 245.753 3.972 40 0 BHABRO CCC[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078405965 519991404 /nfs/dbraw/zinc/99/14/04/519991404.db2.gz JMSIVYPYDSQJMG-AWEZNQCLSA-N 1 0 242.366 3.597 40 0 BHABRO CCC[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078405968 520065549 /nfs/dbraw/zinc/06/55/49/520065549.db2.gz JMSIVYPYDSQJMG-CQSZACIVSA-N 1 0 242.366 3.597 40 0 BHABRO CC(C)[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406022 167132842 /nfs/dbraw/zinc/13/28/42/167132842.db2.gz PBKHIJNTYJWSKS-AWEZNQCLSA-N 1 0 242.366 3.595 40 0 BHABRO CC(C)[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406029 167138892 /nfs/dbraw/zinc/13/88/92/167138892.db2.gz PBKHIJNTYJWSKS-CQSZACIVSA-N 1 0 242.366 3.595 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccn(C(C)C)c1 ZINC000078406070 168874450 /nfs/dbraw/zinc/87/44/50/168874450.db2.gz ZRUKNQOQHFRGHF-LBPRGKRZSA-N 1 0 208.349 3.520 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccn(C(C)C)c1 ZINC000078406073 384443671 /nfs/dbraw/zinc/44/36/71/384443671.db2.gz ZRUKNQOQHFRGHF-GFCCVEGCSA-N 1 0 208.349 3.520 40 0 BHABRO CCCC[NH2+][C@@H](C)c1ccn(CCCC)c1 ZINC000078406079 384443481 /nfs/dbraw/zinc/44/34/81/384443481.db2.gz XLTDHWUZKNFMAN-ZDUSSCGKSA-N 1 0 222.376 3.739 40 0 BHABRO CCCC[NH2+][C@H](C)c1ccn(CCCC)c1 ZINC000078406084 384442105 /nfs/dbraw/zinc/44/21/05/384442105.db2.gz XLTDHWUZKNFMAN-CYBMUJFWSA-N 1 0 222.376 3.739 40 0 BHABRO Clc1ccc2[nH]cc(CCC[NH2+]C3CC3)c2c1 ZINC000082612977 410465468 /nfs/dbraw/zinc/46/54/68/410465468.db2.gz QRHGECWTDYBUEB-UHFFFAOYSA-N 1 0 248.757 3.506 40 0 BHABRO CC(C)(C)C[C@H]([NH3+])c1ccccc1Cl ZINC000082674127 384744149 /nfs/dbraw/zinc/74/41/49/384744149.db2.gz KLDRPKMIFMQECU-NSHDSACASA-N 1 0 211.736 3.776 40 0 BHABRO CC(C)(C)C[C@@H]([NH3+])c1ccccc1Cl ZINC000082674129 259323374 /nfs/dbraw/zinc/32/33/74/259323374.db2.gz KLDRPKMIFMQECU-LLVKDONJSA-N 1 0 211.736 3.776 40 0 BHABRO CC(C)(C)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000082674151 166602580 /nfs/dbraw/zinc/60/25/80/166602580.db2.gz LZFAHZUBJWWVKA-NSHDSACASA-N 1 0 211.736 3.776 40 0 BHABRO CC(C)(C)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000082674152 384743971 /nfs/dbraw/zinc/74/39/71/384743971.db2.gz LZFAHZUBJWWVKA-LLVKDONJSA-N 1 0 211.736 3.776 40 0 BHABRO CC1CCC([C@H]([NH3+])c2ccsc2)CC1 ZINC000082849350 187283457 /nfs/dbraw/zinc/28/34/57/187283457.db2.gz DYUCHFMCSSBSNK-CBINBANVSA-N 1 0 209.358 3.574 40 0 BHABRO CC1CCC([C@@H]([NH3+])c2ccsc2)CC1 ZINC000082849351 188140976 /nfs/dbraw/zinc/14/09/76/188140976.db2.gz DYUCHFMCSSBSNK-RTYFJBAXSA-N 1 0 209.358 3.574 40 0 BHABRO [NH3+]CC1(c2ccc(Cl)cc2)CC2(CCC2)C1 ZINC000083174065 345915029 /nfs/dbraw/zinc/91/50/29/345915029.db2.gz KHNHSUMWTHZJMK-UHFFFAOYSA-N 1 0 235.758 3.501 40 0 BHABRO [NH3+][C@@H](c1ccco1)C1CCCCCCC1 ZINC000083187751 384749036 /nfs/dbraw/zinc/74/90/36/384749036.db2.gz FESYPKWYUDZPCO-CYBMUJFWSA-N 1 0 207.317 3.640 40 0 BHABRO [NH3+][C@H](c1ccco1)C1CCCCCCC1 ZINC000083187754 384748093 /nfs/dbraw/zinc/74/80/93/384748093.db2.gz FESYPKWYUDZPCO-ZDUSSCGKSA-N 1 0 207.317 3.640 40 0 BHABRO Clc1cccc2c1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000083594511 343639205 /nfs/dbraw/zinc/63/92/05/343639205.db2.gz KBIXJUULSUFRSE-OAHLLOKOSA-N 1 0 243.737 3.575 40 0 BHABRO Clc1cccc2c1[C@H](c1ccccc1)[NH2+]CC2 ZINC000083594512 343639420 /nfs/dbraw/zinc/63/94/20/343639420.db2.gz KBIXJUULSUFRSE-HNNXBMFYSA-N 1 0 243.737 3.575 40 0 BHABRO Clc1ccc2c(c1)CC[NH2+][C@@H]2c1ccccc1 ZINC000083594513 343639416 /nfs/dbraw/zinc/63/94/16/343639416.db2.gz PVQUZKPQNVDNHD-OAHLLOKOSA-N 1 0 243.737 3.575 40 0 BHABRO Clc1ccc2c(c1)CC[NH2+][C@H]2c1ccccc1 ZINC000083594514 343639430 /nfs/dbraw/zinc/63/94/30/343639430.db2.gz PVQUZKPQNVDNHD-HNNXBMFYSA-N 1 0 243.737 3.575 40 0 BHABRO [NH3+][C@@H](c1ccsc1)C1CCCCCC1 ZINC000083779403 398285408 /nfs/dbraw/zinc/28/54/08/398285408.db2.gz WBADVDRDWPCOKI-GFCCVEGCSA-N 1 0 209.358 3.718 40 0 BHABRO [NH3+][C@H](c1ccsc1)C1CCCCCC1 ZINC000083779405 398285429 /nfs/dbraw/zinc/28/54/29/398285429.db2.gz WBADVDRDWPCOKI-LBPRGKRZSA-N 1 0 209.358 3.718 40 0 BHABRO [NH3+]Cc1ccc(-c2ccc(Cl)s2)cc1 ZINC000084192858 384846372 /nfs/dbraw/zinc/84/63/72/384846372.db2.gz KSFFZMXVXZWEJY-UHFFFAOYSA-N 1 0 223.728 3.527 40 0 BHABRO CC[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000085210522 171491024 /nfs/dbraw/zinc/49/10/24/171491024.db2.gz XBQPZRVHQQWOOV-VIFPVBQESA-N 1 0 248.551 3.512 40 0 BHABRO CC[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000085210523 384928557 /nfs/dbraw/zinc/92/85/57/384928557.db2.gz XBQPZRVHQQWOOV-SECBINFHSA-N 1 0 248.551 3.512 40 0 BHABRO CC(C)c1ccc(CCC[NH3+])c2ccccc21 ZINC000085391436 167594075 /nfs/dbraw/zinc/59/40/75/167594075.db2.gz UTSIHZHAVSBTMC-UHFFFAOYSA-N 1 0 227.351 3.855 40 0 BHABRO CCCC1CC(C[NH2+]C2CCCCC2)C1 ZINC000085392671 385159861 /nfs/dbraw/zinc/15/98/61/385159861.db2.gz CQAIVAVVCMFILG-UHFFFAOYSA-N 1 0 209.377 3.735 40 0 BHABRO CCCc1ccc(CCC[NH3+])c2ccccc12 ZINC000085394488 385159517 /nfs/dbraw/zinc/15/95/17/385159517.db2.gz DODHWOZAPZSQQC-UHFFFAOYSA-N 1 0 227.351 3.684 40 0 BHABRO Cc1cc(C[NH2+]Cc2ccc(C)s2)c(C)o1 ZINC000085395876 178027155 /nfs/dbraw/zinc/02/71/55/178027155.db2.gz RZJYGGBKCHTDDX-UHFFFAOYSA-N 1 0 235.352 3.556 40 0 BHABRO CCC[C@@H](CCC[NH2+]C1CCCCC1)OC ZINC000085395926 169382348 /nfs/dbraw/zinc/38/23/48/169382348.db2.gz IDYHYFQKORVBIM-AWEZNQCLSA-N 1 0 227.392 3.504 40 0 BHABRO CCC[C@H](CCC[NH2+]C1CCCCC1)OC ZINC000085395928 385159844 /nfs/dbraw/zinc/15/98/44/385159844.db2.gz IDYHYFQKORVBIM-CQSZACIVSA-N 1 0 227.392 3.504 40 0 BHABRO CCCC[NH2+]Cc1csc2c1CCCC2 ZINC000085395964 385159845 /nfs/dbraw/zinc/15/98/45/385159845.db2.gz LNUVXPIMIVKGNW-UHFFFAOYSA-N 1 0 223.385 3.517 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1csc2c1CCCC2 ZINC000085395966 385159792 /nfs/dbraw/zinc/15/97/92/385159792.db2.gz AESXNWGYQHGLFK-SNVBAGLBSA-N 1 0 223.385 3.515 40 0 BHABRO CC[C@H](C)[NH2+]Cc1csc2c1CCCC2 ZINC000085395968 171344561 /nfs/dbraw/zinc/34/45/61/171344561.db2.gz AESXNWGYQHGLFK-JTQLQIEISA-N 1 0 223.385 3.515 40 0 BHABRO Cc1cc(C[NH2+]CC2CCCCC2)c(C)o1 ZINC000085396009 256771917 /nfs/dbraw/zinc/77/19/17/256771917.db2.gz LNMILOWRZJMRAX-UHFFFAOYSA-N 1 0 221.344 3.566 40 0 BHABRO CCCCC[C@H]([NH3+])c1c(F)cccc1F ZINC000086477640 385021192 /nfs/dbraw/zinc/02/11/92/385021192.db2.gz MOLVVRLRCJMUBM-NSHDSACASA-N 1 0 213.271 3.545 40 0 BHABRO CCCCC[C@@H]([NH3+])c1c(F)cccc1F ZINC000086477642 385020804 /nfs/dbraw/zinc/02/08/04/385020804.db2.gz MOLVVRLRCJMUBM-LLVKDONJSA-N 1 0 213.271 3.545 40 0 BHABRO CCCCCC[NH2+]Cc1cccc(C)c1OC ZINC000095094807 384959587 /nfs/dbraw/zinc/95/95/87/384959587.db2.gz MUWYXDKYSNMCOE-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO CCCCC[NH2+]Cc1cccc(C)c1OCC ZINC000095094832 384959327 /nfs/dbraw/zinc/95/93/27/384959327.db2.gz ZNDKBCQHASFEFG-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO CCOc1c(C)cccc1C[NH2+]CCC(C)C ZINC000095094840 170513980 /nfs/dbraw/zinc/51/39/80/170513980.db2.gz NQDYFOKNZALWFL-UHFFFAOYSA-N 1 0 235.371 3.529 40 0 BHABRO CCOc1c(C)cccc1C[NH2+]C(C)(C)CC ZINC000095094841 170513850 /nfs/dbraw/zinc/51/38/50/170513850.db2.gz UCGBKTHSTPPMPF-UHFFFAOYSA-N 1 0 235.371 3.672 40 0 BHABRO Cc1cccc(C[NH2+]C(C)(C)C)c1OC(C)C ZINC000095094846 179088779 /nfs/dbraw/zinc/08/87/79/179088779.db2.gz ZFCXFQIXGBQISW-UHFFFAOYSA-N 1 0 235.371 3.670 40 0 BHABRO CCCC[NH2+]Cc1cccc(C)c1OC(C)C ZINC000095094848 384965320 /nfs/dbraw/zinc/96/53/20/384965320.db2.gz YXKWFXVTIBXEKF-UHFFFAOYSA-N 1 0 235.371 3.672 40 0 BHABRO Cc1cccc(C[NH2+]CC(C)C)c1OC(C)C ZINC000095094852 179090910 /nfs/dbraw/zinc/09/09/10/179090910.db2.gz OZMUNZAREQUFCW-UHFFFAOYSA-N 1 0 235.371 3.528 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1cccc(C)c1OC(C)C ZINC000095094853 384966531 /nfs/dbraw/zinc/96/65/31/384966531.db2.gz TZTYETQFORORBP-CYBMUJFWSA-N 1 0 235.371 3.670 40 0 BHABRO CC[C@H](C)[NH2+]Cc1cccc(C)c1OC(C)C ZINC000095094854 171342967 /nfs/dbraw/zinc/34/29/67/171342967.db2.gz TZTYETQFORORBP-ZDUSSCGKSA-N 1 0 235.371 3.670 40 0 BHABRO CCCOc1c(C)cccc1C[NH2+]C(C)(C)C ZINC000095094858 169313292 /nfs/dbraw/zinc/31/32/92/169313292.db2.gz SVSCCIYHZAEMHV-UHFFFAOYSA-N 1 0 235.371 3.672 40 0 BHABRO CCCC[NH2+]Cc1cccc(C)c1OCCC ZINC000095094860 384956742 /nfs/dbraw/zinc/95/67/42/384956742.db2.gz KUFVWZGMVPCMLR-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO CCCOc1c(C)cccc1C[NH2+]CC(C)C ZINC000095094864 169312851 /nfs/dbraw/zinc/31/28/51/169312851.db2.gz YDZUTPRYPROYHU-UHFFFAOYSA-N 1 0 235.371 3.529 40 0 BHABRO CCCOc1c(C)cccc1C[NH2+][C@@H](C)CC ZINC000095094865 169312774 /nfs/dbraw/zinc/31/27/74/169312774.db2.gz PYXMYEACWGBEDI-ZDUSSCGKSA-N 1 0 235.371 3.672 40 0 BHABRO CCCOc1c(C)cccc1C[NH2+][C@H](C)CC ZINC000095094866 169312825 /nfs/dbraw/zinc/31/28/25/169312825.db2.gz PYXMYEACWGBEDI-CYBMUJFWSA-N 1 0 235.371 3.672 40 0 BHABRO CCCCC[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094877 384958780 /nfs/dbraw/zinc/95/87/80/384958780.db2.gz XUGUYIRBWZHOOI-UHFFFAOYSA-N 1 0 235.371 3.592 40 0 BHABRO CCC(C)(C)[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094886 168299468 /nfs/dbraw/zinc/29/94/68/168299468.db2.gz IWJAXIZBPSPCSB-UHFFFAOYSA-N 1 0 235.371 3.590 40 0 BHABRO CCOc1c(C[NH2+]C(C)(C)C)ccc(C)c1C ZINC000095094891 170514011 /nfs/dbraw/zinc/51/40/11/170514011.db2.gz JLKUGGYZQMWYNI-UHFFFAOYSA-N 1 0 235.371 3.590 40 0 BHABRO CCCC[NH2+]Cc1ccc(C)c(C)c1OCC ZINC000095094893 384959699 /nfs/dbraw/zinc/95/96/99/384959699.db2.gz LWEGWOQSBLBDBQ-UHFFFAOYSA-N 1 0 235.371 3.592 40 0 BHABRO CCOc1c(C[NH2+][C@H](C)CC)ccc(C)c1C ZINC000095094898 384960316 /nfs/dbraw/zinc/96/03/16/384960316.db2.gz PFDYEVQEPUUKGL-GFCCVEGCSA-N 1 0 235.371 3.590 40 0 BHABRO CCOc1c(C[NH2+][C@@H](C)CC)ccc(C)c1C ZINC000095094899 384959480 /nfs/dbraw/zinc/95/94/80/384959480.db2.gz PFDYEVQEPUUKGL-LBPRGKRZSA-N 1 0 235.371 3.590 40 0 BHABRO CCC[NH2+]Cc1ccc(C)c(C)c1OC(C)C ZINC000095094905 169266551 /nfs/dbraw/zinc/26/65/51/169266551.db2.gz LVCGNNTVMYJXKI-UHFFFAOYSA-N 1 0 235.371 3.590 40 0 BHABRO Cc1ccc(C[NH2+]C(C)C)c(OC(C)C)c1C ZINC000095094908 384959312 /nfs/dbraw/zinc/95/93/12/384959312.db2.gz ZYANYKWQMBPFFL-UHFFFAOYSA-N 1 0 235.371 3.589 40 0 BHABRO CCC[NH2+]Cc1ccc(C)c(C)c1OCCC ZINC000095094911 169267323 /nfs/dbraw/zinc/26/73/23/169267323.db2.gz PEZOFDWTZLXPPK-UHFFFAOYSA-N 1 0 235.371 3.592 40 0 BHABRO CCCOc1c(C[NH2+]C(C)C)ccc(C)c1C ZINC000095094914 169314088 /nfs/dbraw/zinc/31/40/88/169314088.db2.gz ALUFEBXLTOEMOF-UHFFFAOYSA-N 1 0 235.371 3.590 40 0 BHABRO CCCCC[NH2+]Cc1cc(C)ccc1OCC ZINC000095094919 384959555 /nfs/dbraw/zinc/95/95/55/384959555.db2.gz MGZYSXBWOJEJLY-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO CCOc1ccc(C)cc1C[NH2+]CCC(C)C ZINC000095094923 170539480 /nfs/dbraw/zinc/53/94/80/170539480.db2.gz HCLMNZGTILPZCD-UHFFFAOYSA-N 1 0 235.371 3.529 40 0 BHABRO CCOc1ccc(C)cc1C[NH2+]C(C)(C)CC ZINC000095094924 384960755 /nfs/dbraw/zinc/96/07/55/384960755.db2.gz NKJJQKZVHLLSOD-UHFFFAOYSA-N 1 0 235.371 3.672 40 0 BHABRO CCCC[NH2+]Cc1cc(C)ccc1OC(C)C ZINC000095094930 384962988 /nfs/dbraw/zinc/96/29/88/384962988.db2.gz SPUXXZAICREVSN-UHFFFAOYSA-N 1 0 235.371 3.672 40 0 BHABRO CC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC(C)C ZINC000095094931 384962734 /nfs/dbraw/zinc/96/27/34/384962734.db2.gz AEXSCLQEOKFIDC-CYBMUJFWSA-N 1 0 235.371 3.670 40 0 BHABRO CC[C@H](C)[NH2+]Cc1cc(C)ccc1OC(C)C ZINC000095094932 171342342 /nfs/dbraw/zinc/34/23/42/171342342.db2.gz AEXSCLQEOKFIDC-ZDUSSCGKSA-N 1 0 235.371 3.670 40 0 BHABRO CCCC[NH2+]Cc1cc(C)ccc1OCCC ZINC000095094935 384963019 /nfs/dbraw/zinc/96/30/19/384963019.db2.gz AJYBHASCAVWFJN-UHFFFAOYSA-N 1 0 235.371 3.674 40 0 BHABRO CCCOc1ccc(C)cc1C[NH2+][C@@H](C)CC ZINC000095094936 169317791 /nfs/dbraw/zinc/31/77/91/169317791.db2.gz YBBIFVUJCNYPHK-ZDUSSCGKSA-N 1 0 235.371 3.672 40 0 BHABRO CCCOc1ccc(C)cc1C[NH2+][C@H](C)CC ZINC000095094937 169317734 /nfs/dbraw/zinc/31/77/34/169317734.db2.gz YBBIFVUJCNYPHK-CYBMUJFWSA-N 1 0 235.371 3.672 40 0 BHABRO CCCn1c([C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000095098042 388760199 /nfs/dbraw/zinc/76/01/99/388760199.db2.gz FQQTWUPUXHUIJB-CQSZACIVSA-N 1 0 242.366 3.518 40 0 BHABRO CCCn1c([C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000095098043 388759875 /nfs/dbraw/zinc/75/98/75/388759875.db2.gz FQQTWUPUXHUIJB-AWEZNQCLSA-N 1 0 242.366 3.518 40 0 BHABRO CCCn1c(C2CC[NH2+]CC2)cc2ccccc21 ZINC000095098045 388760234 /nfs/dbraw/zinc/76/02/34/388760234.db2.gz FJQFYJGZPBGHQU-UHFFFAOYSA-N 1 0 242.366 3.518 40 0 BHABRO Cc1[nH+]c2cc(Cl)ccc2c(N)c1C(C)C ZINC000095534962 180080593 /nfs/dbraw/zinc/08/05/93/180080593.db2.gz ZCPVNRLIGZVASN-UHFFFAOYSA-N 1 0 234.730 3.902 40 0 BHABRO C#[N+]c1cc(-c2ccccc2)ccc1OC ZINC000095697995 183317563 /nfs/dbraw/zinc/31/75/63/183317563.db2.gz QUYXFKCKLGJMJC-UHFFFAOYSA-N 1 0 209.248 3.913 40 0 BHABRO C#[N+]c1ccccc1NC(=O)OC(C)(C)C ZINC000095698045 183317670 /nfs/dbraw/zinc/31/76/70/183317670.db2.gz MVRGMAILZSXBEN-UHFFFAOYSA-N 1 0 218.256 3.584 40 0 BHABRO CCCC[NH+](CCCC)Cc1ccc(C=O)cc1 ZINC000095739684 387005004 /nfs/dbraw/zinc/00/50/04/387005004.db2.gz UCVBRNYVYTYCIK-UHFFFAOYSA-N 1 0 247.382 3.901 40 0 BHABRO CCCC[NH+](CCCC)Cc1cccc(C=O)c1 ZINC000095739686 387004390 /nfs/dbraw/zinc/00/43/90/387004390.db2.gz XSOMVOWRXOGYHQ-UHFFFAOYSA-N 1 0 247.382 3.901 40 0 BHABRO CCCC[NH+](CCCC)Cc1ccccc1C=O ZINC000095739688 387004717 /nfs/dbraw/zinc/00/47/17/387004717.db2.gz QCCVOBNLJHSCRN-UHFFFAOYSA-N 1 0 247.382 3.901 40 0 BHABRO CC(C)C[NH+](Cc1cccc(C=O)c1)CC(C)C ZINC000095739699 166962576 /nfs/dbraw/zinc/96/25/76/166962576.db2.gz NGPCEXLOEXHOQJ-UHFFFAOYSA-N 1 0 247.382 3.613 40 0 BHABRO CC(C)C[NH+](Cc1ccccc1C=O)CC(C)C ZINC000095739700 355770525 /nfs/dbraw/zinc/77/05/25/355770525.db2.gz RTNUJCMIYHRREP-UHFFFAOYSA-N 1 0 247.382 3.613 40 0 BHABRO CC(C)C[NH+](Cc1ccc(C=O)cc1)CC(C)C ZINC000095740107 355770750 /nfs/dbraw/zinc/77/07/50/355770750.db2.gz KVLBFEUBEAIYMG-UHFFFAOYSA-N 1 0 247.382 3.613 40 0 BHABRO CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000095760590 386999968 /nfs/dbraw/zinc/99/99/68/386999968.db2.gz IMVDRLWKHIGJPR-JTQLQIEISA-N 1 0 218.127 3.793 40 0 BHABRO CCCC[C@H]([NH3+])c1ccc(SC)cc1 ZINC000095767704 169008436 /nfs/dbraw/zinc/00/84/36/169008436.db2.gz AESWBSPKRLISRP-LBPRGKRZSA-N 1 0 209.358 3.599 40 0 BHABRO CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000095777868 387000592 /nfs/dbraw/zinc/00/05/92/387000592.db2.gz IMVDRLWKHIGJPR-SNVBAGLBSA-N 1 0 218.127 3.793 40 0 BHABRO CCCC[C@@H]([NH3+])c1ccc(SC)cc1 ZINC000095779692 344356890 /nfs/dbraw/zinc/35/68/90/344356890.db2.gz AESWBSPKRLISRP-GFCCVEGCSA-N 1 0 209.358 3.599 40 0 BHABRO C[NH+]1CCC(c2csc3ccccc23)CC1 ZINC000095863254 173001460 /nfs/dbraw/zinc/00/14/60/173001460.db2.gz PAMXCLDESKIOBB-UHFFFAOYSA-N 1 0 231.364 3.711 40 0 BHABRO c1cn(-c2ccc(OC3CCCCC3)cc2)cn1 ZINC000095933565 384412948 /nfs/dbraw/zinc/41/29/48/384412948.db2.gz TYLDHRXPOVGESX-UHFFFAOYSA-N 1 0 242.322 3.584 40 0 BHABRO CC(C)(C)c1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000096311678 347279675 /nfs/dbraw/zinc/27/96/75/347279675.db2.gz HGKVEYKLALWVCS-VHRNVKJDSA-N 1 0 243.394 3.982 40 0 BHABRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000096311696 343668276 /nfs/dbraw/zinc/66/82/76/343668276.db2.gz OKMXAECKYXFISL-YOGCLGLASA-N 1 0 235.758 3.646 40 0 BHABRO Cc1ccc(Cl)cc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311697 343668251 /nfs/dbraw/zinc/66/82/51/343668251.db2.gz KCCABANLXMZDNY-VGPLMAKISA-N 1 0 235.758 3.646 40 0 BHABRO Cc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000096311703 343668195 /nfs/dbraw/zinc/66/81/95/343668195.db2.gz DZMCUPQDPWLPJR-YHWZYXNKSA-N 1 0 235.758 3.646 40 0 BHABRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000096311713 347279691 /nfs/dbraw/zinc/27/96/91/347279691.db2.gz MMOFCWJLARITDZ-YHWZYXNKSA-N 1 0 235.758 3.646 40 0 BHABRO Cc1ccc(Cl)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311718 343668143 /nfs/dbraw/zinc/66/81/43/343668143.db2.gz XDCWEZNIOBKZOF-YOGCLGLASA-N 1 0 235.758 3.646 40 0 BHABRO Cc1cc(Cl)ccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311720 343668224 /nfs/dbraw/zinc/66/82/24/343668224.db2.gz XWMRBRMOSRVAKE-VGPLMAKISA-N 1 0 235.758 3.646 40 0 BHABRO Cc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000096311732 343668159 /nfs/dbraw/zinc/66/81/59/343668159.db2.gz MYKONBMSBINAQJ-YOGCLGLASA-N 1 0 235.758 3.646 40 0 BHABRO CS[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000096478652 385967299 /nfs/dbraw/zinc/96/72/99/385967299.db2.gz XZROYVVUEVTCOQ-AXFHLTTASA-N 1 0 241.425 3.683 40 0 BHABRO CS[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000096478655 384461599 /nfs/dbraw/zinc/46/15/99/384461599.db2.gz XZROYVVUEVTCOQ-MXWKQRLJSA-N 1 0 241.425 3.683 40 0 BHABRO CS[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000096478657 385968060 /nfs/dbraw/zinc/96/80/60/385968060.db2.gz XZROYVVUEVTCOQ-DCAQKATOSA-N 1 0 241.425 3.683 40 0 BHABRO CS[C@H]1CC[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000096478659 384461391 /nfs/dbraw/zinc/46/13/91/384461391.db2.gz XZROYVVUEVTCOQ-VWYCJHECSA-N 1 0 241.425 3.683 40 0 BHABRO CS[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000096478669 384462799 /nfs/dbraw/zinc/46/27/99/384462799.db2.gz QVTMFWVSLCTHDI-UTUOFQBUSA-N 1 0 239.384 3.523 40 0 BHABRO CS[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000096478671 385966593 /nfs/dbraw/zinc/96/65/93/385966593.db2.gz QVTMFWVSLCTHDI-TUAOUCFPSA-N 1 0 239.384 3.523 40 0 BHABRO CS[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000096478675 384461373 /nfs/dbraw/zinc/46/13/73/384461373.db2.gz QVTMFWVSLCTHDI-WOPDTQHZSA-N 1 0 239.384 3.523 40 0 BHABRO CS[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000096478677 385967705 /nfs/dbraw/zinc/96/77/05/385967705.db2.gz QVTMFWVSLCTHDI-SRVKXCTJSA-N 1 0 239.384 3.523 40 0 BHABRO C(C[NH2+]CCCC1CCC1)CC1CCC1 ZINC000096528616 385274531 /nfs/dbraw/zinc/27/45/31/385274531.db2.gz AEGLCUBAIZOOFD-UHFFFAOYSA-N 1 0 209.377 3.737 40 0 BHABRO C#[N+]c1c(C)cc(Br)cc1C ZINC000100231827 183317344 /nfs/dbraw/zinc/31/73/44/183317344.db2.gz CFLAYDRXLUUULR-UHFFFAOYSA-N 1 0 210.074 3.617 40 0 BHABRO CC1=CC(C)=[NH+]c2ccc(Cl)cc2N1 ZINC000100243756 384626195 /nfs/dbraw/zinc/62/61/95/384626195.db2.gz OIUIWJDOKIPVBA-UHFFFAOYSA-N 1 0 206.676 3.762 40 0 BHABRO CCC(=[NH2+])c1ccc(OC)c2cccc(NC)c12 ZINC000100564441 168197255 /nfs/dbraw/zinc/19/72/55/168197255.db2.gz RRNODMZFXGMTAB-UHFFFAOYSA-N 1 0 242.322 3.668 40 0 BHABRO CC1=C[C@@H](C)[C@@H](C[NH2+]Cc2ccco2)[C@H](C)C1 ZINC000101567787 168125648 /nfs/dbraw/zinc/12/56/48/168125648.db2.gz YHIFVIYJGMJLIA-UMVBOHGHSA-N 1 0 233.355 3.608 40 0 BHABRO CC1=C[C@@H](C)[C@@H](C[NH+]2CCCCC2)[C@H](C)C1 ZINC000102666824 168124606 /nfs/dbraw/zinc/12/46/06/168124606.db2.gz WMARFJKDMDFXLH-RBSFLKMASA-N 1 0 221.388 3.711 40 0 BHABRO CC1=CC(C)=[NH+]c2ccc(Cl)cc2N1 ZINC000104177911 384807947 /nfs/dbraw/zinc/80/79/47/384807947.db2.gz JLNYNFMAQMFPBI-UHFFFAOYSA-N 1 0 206.676 3.762 40 0 BHABRO CCCCCC[C@H](O)CC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000104293126 384818874 /nfs/dbraw/zinc/81/88/74/384818874.db2.gz XMQISTWKAYJRTI-ZNMIVQPWSA-N 1 0 241.419 3.629 40 0 BHABRO CCCCCC[C@@H](O)CC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000104293130 384818881 /nfs/dbraw/zinc/81/88/81/384818881.db2.gz XMQISTWKAYJRTI-RRFJBIMHSA-N 1 0 241.419 3.629 40 0 BHABRO [NH3+]Cc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000107502568 385567456 /nfs/dbraw/zinc/56/74/56/385567456.db2.gz TZJQHLNFQQNDDP-UHFFFAOYSA-N 1 0 244.936 3.759 40 0 BHABRO Cc1cccn2cc(-c3cccc(Cl)c3)nc12 ZINC000107875820 343785811 /nfs/dbraw/zinc/78/58/11/343785811.db2.gz UUJOAMCHUHTACI-UHFFFAOYSA-N 1 0 242.709 3.963 40 0 BHABRO [NH3+][C@@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000112922850 370364395 /nfs/dbraw/zinc/36/43/95/370364395.db2.gz BBGRLZJRIBOFDH-AWEZNQCLSA-N 1 0 249.785 3.889 40 0 BHABRO [NH3+][C@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000112922852 370364586 /nfs/dbraw/zinc/36/45/86/370364586.db2.gz BBGRLZJRIBOFDH-CQSZACIVSA-N 1 0 249.785 3.889 40 0 BHABRO CCCC[NH2+]Cc1cccn1-c1ccc(C)cc1 ZINC000113703988 168871225 /nfs/dbraw/zinc/87/12/25/168871225.db2.gz SQSSCKIRSJETLZ-UHFFFAOYSA-N 1 0 242.366 3.675 40 0 BHABRO Cc1ccc(-n2cccc2C[NH2+]CC(C)C)cc1 ZINC000113703990 178347268 /nfs/dbraw/zinc/34/72/68/178347268.db2.gz FANWYDUINKLMRZ-UHFFFAOYSA-N 1 0 242.366 3.531 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1ccc(F)cc1 ZINC000128032922 168367664 /nfs/dbraw/zinc/36/76/64/168367664.db2.gz OMLZKOOWWBKKPG-ZDUSSCGKSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000128033119 168367487 /nfs/dbraw/zinc/36/74/87/168367487.db2.gz OMLZKOOWWBKKPG-CYBMUJFWSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1cccc(F)c1 ZINC000128033782 168367349 /nfs/dbraw/zinc/36/73/49/168367349.db2.gz AGKRRYAOXUDLDL-ZDUSSCGKSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1cccc(F)c1 ZINC000128033967 168367422 /nfs/dbraw/zinc/36/74/22/168367422.db2.gz AGKRRYAOXUDLDL-CYBMUJFWSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000128037331 168367759 /nfs/dbraw/zinc/36/77/59/168367759.db2.gz NLUBJEMDUSEIQG-AWEZNQCLSA-N 1 0 205.345 3.821 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000128037559 168367370 /nfs/dbraw/zinc/36/73/70/168367370.db2.gz NLUBJEMDUSEIQG-CQSZACIVSA-N 1 0 205.345 3.821 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1cccc(C)c1 ZINC000128045324 168367645 /nfs/dbraw/zinc/36/76/45/168367645.db2.gz NLJBBIODMQOSPW-AWEZNQCLSA-N 1 0 205.345 3.821 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1cccc(C)c1 ZINC000128045570 168367010 /nfs/dbraw/zinc/36/70/10/168367010.db2.gz NLJBBIODMQOSPW-CQSZACIVSA-N 1 0 205.345 3.821 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1ccccc1F ZINC000128099331 168366994 /nfs/dbraw/zinc/36/69/94/168366994.db2.gz VKCKPOQYFWWNGC-ZDUSSCGKSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1ccccc1F ZINC000128099578 168367139 /nfs/dbraw/zinc/36/71/39/168367139.db2.gz VKCKPOQYFWWNGC-CYBMUJFWSA-N 1 0 209.308 3.652 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1sccc1C ZINC000133414718 168367714 /nfs/dbraw/zinc/36/77/14/168367714.db2.gz QERFSOLTBGLPHE-NSHDSACASA-N 1 0 211.374 3.883 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1sccc1C ZINC000133414914 168367405 /nfs/dbraw/zinc/36/74/05/168367405.db2.gz QERFSOLTBGLPHE-LLVKDONJSA-N 1 0 211.374 3.883 40 0 BHABRO CCC(CC)C[C@H]([NH3+])c1ccc(C)s1 ZINC000133439790 168367186 /nfs/dbraw/zinc/36/71/86/168367186.db2.gz WQZUGLHIZMDPHD-NSHDSACASA-N 1 0 211.374 3.883 40 0 BHABRO CCC(CC)C[C@@H]([NH3+])c1ccc(C)s1 ZINC000133439978 168367979 /nfs/dbraw/zinc/36/79/79/168367979.db2.gz WQZUGLHIZMDPHD-LLVKDONJSA-N 1 0 211.374 3.883 40 0 BHABRO Cc1cccc(-c2cn3cc(C)ccc3n2)c1 ZINC000136511478 345519444 /nfs/dbraw/zinc/51/94/44/345519444.db2.gz NRDMHGSMLIFPAQ-UHFFFAOYSA-N 1 0 222.291 3.618 40 0 BHABRO CCCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000151039051 385086204 /nfs/dbraw/zinc/08/62/04/385086204.db2.gz OBGSPGQOATXUJB-LBPRGKRZSA-N 1 0 221.344 3.536 40 0 BHABRO CCCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000151039120 385083800 /nfs/dbraw/zinc/08/38/00/385083800.db2.gz OBGSPGQOATXUJB-GFCCVEGCSA-N 1 0 221.344 3.536 40 0 BHABRO CCOc1cccc([C@H](C)[NH2+][C@H](C)CC)c1 ZINC000152171419 385162938 /nfs/dbraw/zinc/16/29/38/385162938.db2.gz PBQOJAKGBUAIAD-NEPJUHHUSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)CC)c1 ZINC000152171495 385162404 /nfs/dbraw/zinc/16/24/04/385162404.db2.gz PBQOJAKGBUAIAD-RYUDHWBXSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)CC)c1 ZINC000152171591 385162747 /nfs/dbraw/zinc/16/27/47/385162747.db2.gz PBQOJAKGBUAIAD-VXGBXAGGSA-N 1 0 221.344 3.534 40 0 BHABRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)CC)c1 ZINC000152171680 385161728 /nfs/dbraw/zinc/16/17/28/385161728.db2.gz PBQOJAKGBUAIAD-NWDGAFQWSA-N 1 0 221.344 3.534 40 0 BHABRO CC(C)CC([NH3+])(c1ccccc1)c1ccccc1 ZINC000166882008 345939815 /nfs/dbraw/zinc/93/98/15/345939815.db2.gz BQTAYGDNHYOSCB-UHFFFAOYSA-N 1 0 239.362 3.935 40 0 BHABRO C([C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC000169726654 385419187 /nfs/dbraw/zinc/41/91/87/385419187.db2.gz VJVDAGCBIRQENP-AWEZNQCLSA-N 1 0 209.377 3.737 40 0 BHABRO C([C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC000169726655 187474826 /nfs/dbraw/zinc/47/48/26/187474826.db2.gz VJVDAGCBIRQENP-CQSZACIVSA-N 1 0 209.377 3.737 40 0 BHABRO C(C1CC[NH2+]CC1)C1CCCCCCC1 ZINC000169726656 385418200 /nfs/dbraw/zinc/41/82/00/385418200.db2.gz ZLUHXKAWMLGXBF-UHFFFAOYSA-N 1 0 209.377 3.737 40 0 BHABRO C([C@@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC000169726657 188338739 /nfs/dbraw/zinc/33/87/39/188338739.db2.gz DRHQPXZTOHKIPR-AWEZNQCLSA-N 1 0 209.377 3.879 40 0 BHABRO C([C@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC000169726658 188520384 /nfs/dbraw/zinc/52/03/84/188520384.db2.gz DRHQPXZTOHKIPR-CQSZACIVSA-N 1 0 209.377 3.879 40 0 BHABRO CCCC[C@H]([NH3+])c1ccc(C)cc1Cl ZINC000169726675 169008686 /nfs/dbraw/zinc/00/86/86/169008686.db2.gz QUXVKBXDRUVJJZ-LBPRGKRZSA-N 1 0 211.736 3.838 40 0 BHABRO CCCC[C@@H]([NH3+])c1ccc(C)cc1Cl ZINC000169726676 345867848 /nfs/dbraw/zinc/86/78/48/345867848.db2.gz QUXVKBXDRUVJJZ-GFCCVEGCSA-N 1 0 211.736 3.838 40 0 BHABRO Cc1ccc([C@H]([NH3+])CC(C)C)c(Cl)c1 ZINC000169726679 178907179 /nfs/dbraw/zinc/90/71/79/178907179.db2.gz LIPBAMCYLPPLRM-GFCCVEGCSA-N 1 0 211.736 3.694 40 0 BHABRO Cc1ccc([C@@H]([NH3+])CC(C)C)c(Cl)c1 ZINC000169726680 384474874 /nfs/dbraw/zinc/47/48/74/384474874.db2.gz LIPBAMCYLPPLRM-LBPRGKRZSA-N 1 0 211.736 3.694 40 0 BHABRO CP(C)[NH+]([Si](C)(C)C)[Si](C)(C)C ZINC000196560397 175418384 /nfs/dbraw/zinc/41/83/84/175418384.db2.gz WOIPONGUSYBCEY-UHFFFAOYSA-N 1 0 221.433 3.615 40 0 BHABRO C[NH+](C)Cc1c[nH]c2cc(Cl)c(Cl)cc12 ZINC000196569060 363231848 /nfs/dbraw/zinc/23/18/48/363231848.db2.gz UOSKXEVWJSTQAG-UHFFFAOYSA-N 1 0 243.137 3.536 40 0 BHABRO CCC1CCC(c2ccc(C[NH3+])cc2)CC1 ZINC000199523327 535323706 /nfs/dbraw/zinc/32/37/06/535323706.db2.gz PKRDXPHACZHPHP-UHFFFAOYSA-N 1 0 217.356 3.829 40 0 BHABRO CCC1CCC(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000199560685 168523414 /nfs/dbraw/zinc/52/34/14/168523414.db2.gz DGCRHOUIPCLRCT-UHFFFAOYSA-N 1 0 230.355 3.654 40 0 BHABRO CN(Cc1cccc2ccccc21)c1cc[nH+]cc1 ZINC000199937351 398214248 /nfs/dbraw/zinc/21/42/48/398214248.db2.gz IYONYCADCFFMPS-UHFFFAOYSA-N 1 0 248.329 3.871 40 0 BHABRO CCC[NH2+]CCO[C@H](c1ccccc1)C1CCC1 ZINC000217686697 169260492 /nfs/dbraw/zinc/26/04/92/169260492.db2.gz LKJBAZJKMYAAGX-MRXNPFEDSA-N 1 0 247.382 3.544 40 0 BHABRO CCC[NH2+]CCO[C@@H](c1ccccc1)C1CCC1 ZINC000217686769 169260030 /nfs/dbraw/zinc/26/00/30/169260030.db2.gz LKJBAZJKMYAAGX-INIZCTEOSA-N 1 0 247.382 3.544 40 0 BHABRO CC(C)(C)c1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218867476 188008204 /nfs/dbraw/zinc/00/82/04/188008204.db2.gz QOPLXSSDCRGJJP-LSDHHAIUSA-N 1 0 246.398 3.666 40 0 BHABRO CC(C)(C)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218867546 188179101 /nfs/dbraw/zinc/17/91/01/188179101.db2.gz QOPLXSSDCRGJJP-GJZGRUSLSA-N 1 0 246.398 3.666 40 0 BHABRO CC(C)(C)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218867608 187318752 /nfs/dbraw/zinc/31/87/52/187318752.db2.gz QOPLXSSDCRGJJP-HUUCEWRRSA-N 1 0 246.398 3.666 40 0 BHABRO CC(C)(C)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218867673 386342385 /nfs/dbraw/zinc/34/23/85/386342385.db2.gz QOPLXSSDCRGJJP-CABCVRRESA-N 1 0 246.398 3.666 40 0 BHABRO CC(C)c1ccc([C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000221198916 343792827 /nfs/dbraw/zinc/79/28/27/343792827.db2.gz BJQIFECVPHDLMQ-AWEZNQCLSA-N 1 0 217.356 3.523 40 0 BHABRO CC(C)c1ccc([C@H]2C[NH2+]CC2(C)C)cc1 ZINC000221198971 343792864 /nfs/dbraw/zinc/79/28/64/343792864.db2.gz BJQIFECVPHDLMQ-CQSZACIVSA-N 1 0 217.356 3.523 40 0 BHABRO CCCC[NH2+]Cc1cc(C)n(CC(C)C)c1C ZINC000223659684 168869369 /nfs/dbraw/zinc/86/93/69/168869369.db2.gz SYPCNTBLEOBMEX-UHFFFAOYSA-N 1 0 236.403 3.651 40 0 BHABRO Cc1cc(C[NH2+]CC(C)C)c(C)n1CC(C)C ZINC000223659765 178019889 /nfs/dbraw/zinc/01/98/89/178019889.db2.gz VINGWLJTMNGFHX-UHFFFAOYSA-N 1 0 236.403 3.507 40 0 BHABRO CCCC[NH2+]Cc1cc(C)n(C(C)C)c1C ZINC000223675246 387936201 /nfs/dbraw/zinc/93/62/01/387936201.db2.gz JOTDHLCUNCRJIK-UHFFFAOYSA-N 1 0 222.376 3.576 40 0 BHABRO CCC[NH2+]Cc1cc(C)n([C@@H](C)CC)c1C ZINC000223675787 169265943 /nfs/dbraw/zinc/26/59/43/169265943.db2.gz FNIGXJUHBYVMJP-NSHDSACASA-N 1 0 222.376 3.576 40 0 BHABRO CCC[NH2+]Cc1cc(C)n([C@H](C)CC)c1C ZINC000223675850 169266017 /nfs/dbraw/zinc/26/60/17/169266017.db2.gz FNIGXJUHBYVMJP-LLVKDONJSA-N 1 0 222.376 3.576 40 0 BHABRO CCCC[NH2+]Cc1cc(C)n([C@@H](C)CC)c1C ZINC000223675938 386092431 /nfs/dbraw/zinc/09/24/31/386092431.db2.gz ZJVZXYJHZAEPAC-LBPRGKRZSA-N 1 0 236.403 3.966 40 0 BHABRO CCCC[NH2+]Cc1cc(C)n([C@H](C)CC)c1C ZINC000223675994 386091652 /nfs/dbraw/zinc/09/16/52/386091652.db2.gz ZJVZXYJHZAEPAC-GFCCVEGCSA-N 1 0 236.403 3.966 40 0 BHABRO CC[C@@H](C)n1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000223676074 386091685 /nfs/dbraw/zinc/09/16/85/386091685.db2.gz KZNXIAGUFNNTPB-GFCCVEGCSA-N 1 0 236.403 3.822 40 0 BHABRO CC[C@H](C)n1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000223676136 386092077 /nfs/dbraw/zinc/09/20/77/386092077.db2.gz KZNXIAGUFNNTPB-LBPRGKRZSA-N 1 0 236.403 3.822 40 0 BHABRO CC[NH2+]Cc1cc(C)n(C2CCCCC2)c1C ZINC000223676684 170125247 /nfs/dbraw/zinc/12/52/47/170125247.db2.gz FDMUUCVGZJRPRB-UHFFFAOYSA-N 1 0 234.387 3.720 40 0 BHABRO CCCC[NH2+]Cc1cccn1-c1ccccc1C ZINC000223679391 168871135 /nfs/dbraw/zinc/87/11/35/168871135.db2.gz UGLSPCDQJXBAAU-UHFFFAOYSA-N 1 0 242.366 3.675 40 0 BHABRO Cc1ccccc1-n1cccc1C[NH2+]CC(C)C ZINC000223679465 179242627 /nfs/dbraw/zinc/24/26/27/179242627.db2.gz QGGQRWNHZZGSMZ-UHFFFAOYSA-N 1 0 242.366 3.531 40 0 BHABRO Cc1cccc(-n2cccc2C[NH2+]CC(C)C)c1 ZINC000223679891 179001257 /nfs/dbraw/zinc/00/12/57/179001257.db2.gz FBIQVKIMIOKHBB-UHFFFAOYSA-N 1 0 242.366 3.531 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1cccc(C)c1C ZINC000223680371 169267923 /nfs/dbraw/zinc/26/79/23/169267923.db2.gz ZWYDHHJCNJRWNA-UHFFFAOYSA-N 1 0 242.366 3.594 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1ccc(C)cc1C ZINC000223680907 169268364 /nfs/dbraw/zinc/26/83/64/169268364.db2.gz MPNIWQLHMMEDIJ-UHFFFAOYSA-N 1 0 242.366 3.594 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1cc(C)ccc1C ZINC000223681413 169267905 /nfs/dbraw/zinc/26/79/05/169267905.db2.gz VOAOOEKLCFPLOU-UHFFFAOYSA-N 1 0 242.366 3.594 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1ccc(C)c(C)c1 ZINC000223682085 169267884 /nfs/dbraw/zinc/26/78/84/169267884.db2.gz UOBIBKWSXBAABB-UHFFFAOYSA-N 1 0 242.366 3.594 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1cc(C)cc(C)c1 ZINC000223682729 169268251 /nfs/dbraw/zinc/26/82/51/169268251.db2.gz CHEOLPQOJQKGSG-UHFFFAOYSA-N 1 0 242.366 3.594 40 0 BHABRO CCCC[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683719 386092596 /nfs/dbraw/zinc/09/25/96/386092596.db2.gz SENQNXYSWGBLJE-UHFFFAOYSA-N 1 0 246.329 3.506 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1ccccc1Cl ZINC000223684244 169267871 /nfs/dbraw/zinc/26/78/71/169267871.db2.gz MBRBWKFIJXDHJK-UHFFFAOYSA-N 1 0 248.757 3.630 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1cccc(Cl)c1 ZINC000223684827 169268349 /nfs/dbraw/zinc/26/83/49/169268349.db2.gz KBRFXQYYOPLWKW-UHFFFAOYSA-N 1 0 248.757 3.630 40 0 BHABRO CCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1 ZINC000223685221 169268367 /nfs/dbraw/zinc/26/83/67/169268367.db2.gz RMQUDLRMJZKDBM-UHFFFAOYSA-N 1 0 248.757 3.630 40 0 BHABRO CC[NH2+]Cc1cccn1-c1cccc(Cl)c1C ZINC000223685384 170129388 /nfs/dbraw/zinc/12/93/88/170129388.db2.gz UFXICTNJGDUNRB-UHFFFAOYSA-N 1 0 248.757 3.549 40 0 BHABRO CC[NH2+]Cc1cccn1-c1ccc(Cl)cc1C ZINC000223686061 170129301 /nfs/dbraw/zinc/12/93/01/170129301.db2.gz GFBALVFWBVHGMJ-UHFFFAOYSA-N 1 0 248.757 3.549 40 0 BHABRO CC[NH2+]Cc1cccn1-c1cc(Cl)ccc1C ZINC000223686703 170128848 /nfs/dbraw/zinc/12/88/48/170128848.db2.gz ZLLSDZKNVILYJT-UHFFFAOYSA-N 1 0 248.757 3.549 40 0 BHABRO CC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687337 170129746 /nfs/dbraw/zinc/12/97/46/170129746.db2.gz FOIIGJMXALGADL-UHFFFAOYSA-N 1 0 248.757 3.549 40 0 BHABRO CCCC[NH2+]Cc1cccn1C1CCCCC1 ZINC000223690307 386095053 /nfs/dbraw/zinc/09/50/53/386095053.db2.gz AWJXMTPANNKBCE-UHFFFAOYSA-N 1 0 234.387 3.883 40 0 BHABRO CC(C)C[NH2+]Cc1cccn1C1CCCCC1 ZINC000223690388 167010768 /nfs/dbraw/zinc/01/07/68/167010768.db2.gz LTCVDRZSJYWKLJ-UHFFFAOYSA-N 1 0 234.387 3.739 40 0 BHABRO CCC[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223691041 169268163 /nfs/dbraw/zinc/26/81/63/169268163.db2.gz KFLZYDWHDLSQCJ-AWEZNQCLSA-N 1 0 242.366 3.597 40 0 BHABRO CCC[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223691094 169267684 /nfs/dbraw/zinc/26/76/84/169267684.db2.gz KFLZYDWHDLSQCJ-CQSZACIVSA-N 1 0 242.366 3.597 40 0 BHABRO CCCC[NH2+]Cc1ccn(C2CCCCC2)c1 ZINC000223693794 168870564 /nfs/dbraw/zinc/87/05/64/168870564.db2.gz BQCOAORVRMGSIZ-UHFFFAOYSA-N 1 0 234.387 3.883 40 0 BHABRO CC(C)C[NH2+]Cc1ccn(C2CCCCC2)c1 ZINC000223693882 167009831 /nfs/dbraw/zinc/00/98/31/167009831.db2.gz ATYPYPHZVMGHRN-UHFFFAOYSA-N 1 0 234.387 3.739 40 0 BHABRO CCC[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694530 169268201 /nfs/dbraw/zinc/26/82/01/169268201.db2.gz JXGFOVKMVLWCGH-AWEZNQCLSA-N 1 0 242.366 3.597 40 0 BHABRO CCC[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223694587 169267902 /nfs/dbraw/zinc/26/79/02/169267902.db2.gz JXGFOVKMVLWCGH-CQSZACIVSA-N 1 0 242.366 3.597 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1CCC ZINC000223712205 386095023 /nfs/dbraw/zinc/09/50/23/386095023.db2.gz FLLFHSFSXJPZPH-BXUZGUMPSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1CCC ZINC000223712264 386093656 /nfs/dbraw/zinc/09/36/56/386093656.db2.gz FLLFHSFSXJPZPH-RISCZKNCSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1C(C)C ZINC000223712727 386093547 /nfs/dbraw/zinc/09/35/47/386093547.db2.gz PSNRURLJDSBUGB-BXUZGUMPSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@@H](C)[N@H+]1C(C)C ZINC000223712782 386093536 /nfs/dbraw/zinc/09/35/36/386093536.db2.gz PSNRURLJDSBUGB-RISCZKNCSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1CC ZINC000223715220 386094870 /nfs/dbraw/zinc/09/48/70/386094870.db2.gz JJVHOYZNKMLKAR-BXUZGUMPSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1CC ZINC000223715278 386093922 /nfs/dbraw/zinc/09/39/22/386093922.db2.gz JJVHOYZNKMLKAR-RISCZKNCSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[N@@H+]1[C@@H](CC)Cc2[nH]ccc2[C@@H]1CC ZINC000223715649 169211983 /nfs/dbraw/zinc/21/19/83/169211983.db2.gz BKHAZJVHQBVHGS-FZMZJTMJSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1CCC ZINC000223715742 386094958 /nfs/dbraw/zinc/09/49/58/386094958.db2.gz KQENEWJCRYSICN-IUODEOHRSA-N 1 0 234.387 3.903 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1CCC ZINC000223715800 386093518 /nfs/dbraw/zinc/09/35/18/386093518.db2.gz KQENEWJCRYSICN-DOMZBBRYSA-N 1 0 234.387 3.903 40 0 BHABRO CCC[N@@H+]1[C@@H](CC)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000223715879 169211306 /nfs/dbraw/zinc/21/13/06/169211306.db2.gz BVGOCLMCEYMMGJ-WFASDCNBSA-N 1 0 234.387 3.759 40 0 BHABRO CC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1C(C)C ZINC000223716281 386093247 /nfs/dbraw/zinc/09/32/47/386093247.db2.gz KRNRDHGERVKPGQ-SMDDNHRTSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1C(C)C ZINC000223716359 386094009 /nfs/dbraw/zinc/09/40/09/386094009.db2.gz RPVUOQSHDJUUPO-IUODEOHRSA-N 1 0 234.387 3.901 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@H+]1C(C)C ZINC000223716428 386094035 /nfs/dbraw/zinc/09/40/35/386094035.db2.gz RPVUOQSHDJUUPO-DOMZBBRYSA-N 1 0 234.387 3.901 40 0 BHABRO CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@@H+]1C(C)C ZINC000223716568 386094745 /nfs/dbraw/zinc/09/47/45/386094745.db2.gz WYGCFSQGBPJGMU-SWLSCSKDSA-N 1 0 234.387 3.757 40 0 BHABRO CCC[C@@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223764086 169452572 /nfs/dbraw/zinc/45/25/72/169452572.db2.gz ZLRXVTPBGWVYSK-OAHLLOKOSA-N 1 0 219.372 3.872 40 0 BHABRO CCC[C@](C)([NH3+])CC(C)(C)c1ccccc1 ZINC000223764143 488071333 /nfs/dbraw/zinc/07/13/33/488071333.db2.gz ZLRXVTPBGWVYSK-HNNXBMFYSA-N 1 0 219.372 3.872 40 0 BHABRO CC[C@@](C)([NH3+])CC(C)(C)c1ccc(C)cc1 ZINC000223764375 171171433 /nfs/dbraw/zinc/17/14/33/171171433.db2.gz WMWKQSIWSRIORL-OAHLLOKOSA-N 1 0 219.372 3.790 40 0 BHABRO CC[C@](C)([NH3+])CC(C)(C)c1ccc(C)cc1 ZINC000223764432 488071144 /nfs/dbraw/zinc/07/11/44/488071144.db2.gz WMWKQSIWSRIORL-HNNXBMFYSA-N 1 0 219.372 3.790 40 0 BHABRO Cc1nc2cc(C)c(N)cc2n1C1CCCCC1 ZINC000223770493 188180551 /nfs/dbraw/zinc/18/05/51/188180551.db2.gz DOWJJEMIAFUILZ-UHFFFAOYSA-N 1 0 243.354 3.741 40 0 BHABRO CCCOc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000225158418 169327293 /nfs/dbraw/zinc/32/72/93/169327293.db2.gz RFTFDWBYQZPYLC-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CCCOc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000225158459 169328086 /nfs/dbraw/zinc/32/80/86/169328086.db2.gz RFTFDWBYQZPYLC-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CCCCOc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000225158509 350352993 /nfs/dbraw/zinc/35/29/93/350352993.db2.gz LCIQFLUMFTVJLH-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CCCCOc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000225158550 350352874 /nfs/dbraw/zinc/35/28/74/350352874.db2.gz LCIQFLUMFTVJLH-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CC(C)COc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000225158698 187320164 /nfs/dbraw/zinc/32/01/64/187320164.db2.gz IBBPRLCMLORWPN-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)COc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000225158735 386172215 /nfs/dbraw/zinc/17/22/15/386172215.db2.gz IBBPRLCMLORWPN-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CC[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000225158789 170766596 /nfs/dbraw/zinc/76/65/96/170766596.db2.gz VSSKLCURRXQOKL-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1ccccc1[C@@H](C)[NH2+]C(C)C ZINC000225158829 171357415 /nfs/dbraw/zinc/35/74/15/171357415.db2.gz VSSKLCURRXQOKL-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)Oc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000225158864 170767032 /nfs/dbraw/zinc/76/70/32/170767032.db2.gz VSSKLCURRXQOKL-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1ccccc1[C@H](C)[NH2+]C(C)C ZINC000225158902 171357048 /nfs/dbraw/zinc/35/70/48/171357048.db2.gz VSSKLCURRXQOKL-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CCCOc1ccccc1[C@@H](C)[NH2+]CC(C)C ZINC000225159116 169327329 /nfs/dbraw/zinc/32/73/29/169327329.db2.gz POBPGFUUVUXMIF-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CCCOc1ccccc1[C@H](C)[NH2+]CC(C)C ZINC000225159151 169327902 /nfs/dbraw/zinc/32/79/02/169327902.db2.gz POBPGFUUVUXMIF-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CCCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC ZINC000225159676 169327510 /nfs/dbraw/zinc/32/75/10/169327510.db2.gz BHSXCMDKMGYSIC-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC ZINC000225159715 169328174 /nfs/dbraw/zinc/32/81/74/169328174.db2.gz BHSXCMDKMGYSIC-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC ZINC000225159755 169327545 /nfs/dbraw/zinc/32/75/45/169327545.db2.gz BHSXCMDKMGYSIC-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC ZINC000225159788 169328470 /nfs/dbraw/zinc/32/84/70/169328470.db2.gz BHSXCMDKMGYSIC-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000225162829 169325939 /nfs/dbraw/zinc/32/59/39/169325939.db2.gz LHQUHDNSGUFURM-GFCCVEGCSA-N 1 0 221.344 3.534 40 0 BHABRO CCCOc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000225162863 169326099 /nfs/dbraw/zinc/32/60/99/169326099.db2.gz LHQUHDNSGUFURM-LBPRGKRZSA-N 1 0 221.344 3.534 40 0 BHABRO CCCCOc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000225162923 350352974 /nfs/dbraw/zinc/35/29/74/350352974.db2.gz ODTMWNUPRRTDHH-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CCCCOc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000225162962 350352897 /nfs/dbraw/zinc/35/28/97/350352897.db2.gz ODTMWNUPRRTDHH-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CC(C)COc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000225163113 188180459 /nfs/dbraw/zinc/18/04/59/188180459.db2.gz RYJMMPGHBWPKMR-CYBMUJFWSA-N 1 0 235.371 3.780 40 0 BHABRO CC(C)COc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000225163146 188357623 /nfs/dbraw/zinc/35/76/23/188357623.db2.gz RYJMMPGHBWPKMR-ZDUSSCGKSA-N 1 0 235.371 3.780 40 0 BHABRO CC[C@@H](C)Oc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000225163205 386172225 /nfs/dbraw/zinc/17/22/25/386172225.db2.gz CIVKCYWUVLHEFW-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1cccc([C@@H](C)[NH2+]C(C)C)c1 ZINC000225163248 171356846 /nfs/dbraw/zinc/35/68/46/171356846.db2.gz CIVKCYWUVLHEFW-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)Oc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000225163286 386173176 /nfs/dbraw/zinc/17/31/76/386173176.db2.gz CIVKCYWUVLHEFW-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1cccc([C@H](C)[NH2+]C(C)C)c1 ZINC000225163322 171356960 /nfs/dbraw/zinc/35/69/60/171356960.db2.gz CIVKCYWUVLHEFW-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CCCC[NH2+][C@@H](C)c1cccc(OCCC)c1 ZINC000225163438 386172579 /nfs/dbraw/zinc/17/25/79/386172579.db2.gz CITJOVDLVLNPRI-ZDUSSCGKSA-N 1 0 235.371 3.926 40 0 BHABRO CCCC[NH2+][C@H](C)c1cccc(OCCC)c1 ZINC000225163477 517565206 /nfs/dbraw/zinc/56/52/06/517565206.db2.gz CITJOVDLVLNPRI-CYBMUJFWSA-N 1 0 235.371 3.926 40 0 BHABRO CCCOc1cccc([C@@H](C)[NH2+]CC(C)C)c1 ZINC000225164028 169325988 /nfs/dbraw/zinc/32/59/88/169325988.db2.gz WEZVXEBHJFMGLK-CYBMUJFWSA-N 1 0 235.371 3.782 40 0 BHABRO CCCOc1cccc([C@H](C)[NH2+]CC(C)C)c1 ZINC000225164067 169326283 /nfs/dbraw/zinc/32/62/83/169326283.db2.gz WEZVXEBHJFMGLK-ZDUSSCGKSA-N 1 0 235.371 3.782 40 0 BHABRO CCCOc1cccc([C@@H](C)[NH2+][C@@H](C)CC)c1 ZINC000225164548 169325618 /nfs/dbraw/zinc/32/56/18/169325618.db2.gz AQMGNDMGELUXGZ-QWHCGFSZSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1cccc([C@H](C)[NH2+][C@@H](C)CC)c1 ZINC000225164592 169326056 /nfs/dbraw/zinc/32/60/56/169326056.db2.gz AQMGNDMGELUXGZ-STQMWFEESA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1cccc([C@@H](C)[NH2+][C@H](C)CC)c1 ZINC000225164635 169325710 /nfs/dbraw/zinc/32/57/10/169325710.db2.gz AQMGNDMGELUXGZ-CHWSQXEVSA-N 1 0 235.371 3.925 40 0 BHABRO CCCOc1cccc([C@H](C)[NH2+][C@H](C)CC)c1 ZINC000225164680 169325733 /nfs/dbraw/zinc/32/57/33/169325733.db2.gz AQMGNDMGELUXGZ-OLZOCXBDSA-N 1 0 235.371 3.925 40 0 BHABRO CCCCOc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000225168066 187319820 /nfs/dbraw/zinc/31/98/20/187319820.db2.gz JRBPEYUUHHHUPA-CYBMUJFWSA-N 1 0 235.371 3.925 40 0 BHABRO CCCCOc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000225168105 386173098 /nfs/dbraw/zinc/17/30/98/386173098.db2.gz JRBPEYUUHHHUPA-ZDUSSCGKSA-N 1 0 235.371 3.925 40 0 BHABRO CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000225168254 386172162 /nfs/dbraw/zinc/17/21/62/386172162.db2.gz FYPCPNLTFXNXSI-CHWSQXEVSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000225168293 171355818 /nfs/dbraw/zinc/35/58/18/171355818.db2.gz FYPCPNLTFXNXSI-QWHCGFSZSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@@H](C)Oc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000225168334 386173263 /nfs/dbraw/zinc/17/32/63/386173263.db2.gz FYPCPNLTFXNXSI-OLZOCXBDSA-N 1 0 235.371 3.923 40 0 BHABRO CC[C@H](C)Oc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000225168367 171355910 /nfs/dbraw/zinc/35/59/10/171355910.db2.gz FYPCPNLTFXNXSI-STQMWFEESA-N 1 0 235.371 3.923 40 0 BHABRO CC[NH+](CC)Cc1cccn1-c1ccc(C)cc1 ZINC000225308939 386184529 /nfs/dbraw/zinc/18/45/29/386184529.db2.gz ANAJLMXFYGXPCO-UHFFFAOYSA-N 1 0 242.366 3.628 40 0 BHABRO Cc1[nH+]c(NC(C)C)c2ccccc2c1C ZINC000225748050 526995267 /nfs/dbraw/zinc/99/52/67/526995267.db2.gz GMWYSJXVAMYYGZ-UHFFFAOYSA-N 1 0 214.312 3.672 40 0 BHABRO CC(C)Cc1ccc(C[NH2+]C2CCCCC2)[nH]1 ZINC000226019935 386233106 /nfs/dbraw/zinc/23/31/06/386233106.db2.gz FXJZAWJTWPCDOP-UHFFFAOYSA-N 1 0 234.387 3.636 40 0 BHABRO CC(C)Cc1ccc(C[NH2+]Cc2ccccc2)[nH]1 ZINC000226019992 519439067 /nfs/dbraw/zinc/43/90/67/519439067.db2.gz NOUCAFPTXBPEOP-UHFFFAOYSA-N 1 0 242.366 3.503 40 0 BHABRO CC(C)Cc1ccc(C[NH2+]C2CCCCC2)n1C ZINC000226020180 188181954 /nfs/dbraw/zinc/18/19/54/188181954.db2.gz RPNKNMVOWHVXSL-UHFFFAOYSA-N 1 0 248.414 3.646 40 0 BHABRO CCCC[NH2+]Cc1ccc(CC(C)C)n1CC ZINC000226020311 386233723 /nfs/dbraw/zinc/23/37/23/386233723.db2.gz YKMAAAYAWJGBQY-UHFFFAOYSA-N 1 0 236.403 3.596 40 0 BHABRO CCn1c(C[NH2+]C2CCCC2)ccc1CC(C)C ZINC000226020411 172144226 /nfs/dbraw/zinc/14/42/26/172144226.db2.gz IPAFIQAQTOAJAS-UHFFFAOYSA-N 1 0 248.414 3.739 40 0 BHABRO CCCc1ccc(C[NH2+]C2CCCCC2)n1CC ZINC000226020944 386233615 /nfs/dbraw/zinc/23/36/15/386233615.db2.gz NOSIYAHXSAWZAH-UHFFFAOYSA-N 1 0 248.414 3.883 40 0 BHABRO Cc1ccnc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000226931719 134371078 /nfs/dbraw/zinc/37/10/78/134371078.db2.gz GPWLGEIJLOOIKO-JHJVBQTASA-N 1 0 218.344 3.627 40 0 BHABRO Cc1ccnc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000226931725 134371001 /nfs/dbraw/zinc/37/10/01/134371001.db2.gz GPWLGEIJLOOIKO-YNEHKIRRSA-N 1 0 218.344 3.627 40 0 BHABRO CCSc1ccc(Cl)cc1C[NH+](C)C ZINC000242649049 398311496 /nfs/dbraw/zinc/31/14/96/398311496.db2.gz RSTNXNWPHATEFD-UHFFFAOYSA-N 1 0 229.776 3.514 40 0 BHABRO [NH3+]C1(c2ccc(Cl)cc2)CCC(F)(F)CC1 ZINC000255186975 181334295 /nfs/dbraw/zinc/33/42/95/181334295.db2.gz AKBVMTIBSBCHKN-UHFFFAOYSA-N 1 0 245.700 3.703 40 0 BHABRO [NH3+]C1(c2cccc(Cl)c2)CCC(F)(F)CC1 ZINC000255189269 181334729 /nfs/dbraw/zinc/33/47/29/181334729.db2.gz OUBLYRLBPOZUBH-UHFFFAOYSA-N 1 0 245.700 3.703 40 0 BHABRO CCCCCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256050931 387859438 /nfs/dbraw/zinc/85/94/38/387859438.db2.gz HAXXLMDFDFTZBG-UHFFFAOYSA-N 1 0 249.402 3.668 40 0 BHABRO CCCCCC[NH2+]Cc1ccnn1[C@H](C)CC ZINC000256053323 387860502 /nfs/dbraw/zinc/86/05/02/387860502.db2.gz QZNRVTSSYFOJAP-CYBMUJFWSA-N 1 0 237.391 3.524 40 0 BHABRO CCCCCC[NH2+]Cc1ccnn1[C@@H](C)CC ZINC000256053324 387860688 /nfs/dbraw/zinc/86/06/88/387860688.db2.gz QZNRVTSSYFOJAP-ZDUSSCGKSA-N 1 0 237.391 3.524 40 0 BHABRO Fc1ccc2c(C[NH+]3CCCCCC3)c[nH]c2c1 ZINC000258108396 385776941 /nfs/dbraw/zinc/77/69/41/385776941.db2.gz SMVJTUSLWMYBON-UHFFFAOYSA-N 1 0 246.329 3.683 40 0 BHABRO C[C@@H]1CCCc2nc(-c3cccs3)cn21 ZINC000258119258 345779921 /nfs/dbraw/zinc/77/99/21/345779921.db2.gz CLKQIMXPRUGDEG-SECBINFHSA-N 1 0 218.325 3.509 40 0 BHABRO C[C@H]1CCCc2nc(-c3cccs3)cn21 ZINC000258119260 345780233 /nfs/dbraw/zinc/78/02/33/345780233.db2.gz CLKQIMXPRUGDEG-VIFPVBQESA-N 1 0 218.325 3.509 40 0 BHABRO Fc1ccc2[nH]cc(C[NH+]3CCCCCC3)c2c1 ZINC000258125198 180984387 /nfs/dbraw/zinc/98/43/87/180984387.db2.gz UOODFVQEBWRZQL-UHFFFAOYSA-N 1 0 246.329 3.683 40 0 BHABRO [NH3+]C1(c2ccc(C(F)F)cc2)CCCCC1 ZINC000258496426 344484386 /nfs/dbraw/zinc/48/43/86/344484386.db2.gz QNBZQYINWLHFEK-UHFFFAOYSA-N 1 0 225.282 3.742 40 0 BHABRO CCC[N@@H+]1[C@H](CC)Cc2[nH]ccc2[C@H]1CC ZINC000260825756 323128459 /nfs/dbraw/zinc/12/84/59/323128459.db2.gz BKHAZJVHQBVHGS-BXUZGUMPSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[N@@H+]1[C@H](CC)Cc2[nH]ccc2[C@@H]1CC ZINC000260825759 323128437 /nfs/dbraw/zinc/12/84/37/323128437.db2.gz BKHAZJVHQBVHGS-RISCZKNCSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[N@H+]1[C@H](CC)c2cc[nH]c2C[C@@H]1CC ZINC000260825764 323128492 /nfs/dbraw/zinc/12/84/92/323128492.db2.gz BKHAZJVHQBVHGS-SMDDNHRTSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[N@@H+]1[C@H](CC)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000260825777 323128413 /nfs/dbraw/zinc/12/84/13/323128413.db2.gz BVGOCLMCEYMMGJ-DOMZBBRYSA-N 1 0 234.387 3.759 40 0 BHABRO CCC[N@@H+]1[C@H](CC)Cc2[nH]ccc2[C@H]1C(C)C ZINC000260825781 323128448 /nfs/dbraw/zinc/12/84/48/323128448.db2.gz BVGOCLMCEYMMGJ-IUODEOHRSA-N 1 0 234.387 3.759 40 0 BHABRO CCC[N@H+]1[C@H](C(C)C)c2cc[nH]c2C[C@@H]1CC ZINC000260825784 323128481 /nfs/dbraw/zinc/12/84/81/323128481.db2.gz BVGOCLMCEYMMGJ-SWLSCSKDSA-N 1 0 234.387 3.759 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@H](C)[N@H+]1CCC ZINC000260825819 323128541 /nfs/dbraw/zinc/12/85/41/323128541.db2.gz FLLFHSFSXJPZPH-FZMZJTMJSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@H](C)[N@H+]1CCC ZINC000260825821 323128665 /nfs/dbraw/zinc/12/86/65/323128665.db2.gz FLLFHSFSXJPZPH-SMDDNHRTSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1CC ZINC000260825861 323128602 /nfs/dbraw/zinc/12/86/02/323128602.db2.gz JJVHOYZNKMLKAR-FZMZJTMJSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1CC ZINC000260825863 323128637 /nfs/dbraw/zinc/12/86/37/323128637.db2.gz JJVHOYZNKMLKAR-SMDDNHRTSA-N 1 0 220.360 3.513 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1CCC ZINC000260825875 323128659 /nfs/dbraw/zinc/12/86/59/323128659.db2.gz KQENEWJCRYSICN-SWLSCSKDSA-N 1 0 234.387 3.903 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1CCC ZINC000260825877 323128619 /nfs/dbraw/zinc/12/86/19/323128619.db2.gz KQENEWJCRYSICN-WFASDCNBSA-N 1 0 234.387 3.903 40 0 BHABRO CC[C@H]1Cc2[nH]ccc2[C@H](CC)[N@@H+]1C(C)C ZINC000260825879 323128538 /nfs/dbraw/zinc/12/85/38/323128538.db2.gz KRNRDHGERVKPGQ-FZMZJTMJSA-N 1 0 220.360 3.511 40 0 BHABRO CC[C@@H]1Cc2[nH]ccc2[C@H](CC)[N@@H+]1C(C)C ZINC000260825880 323128685 /nfs/dbraw/zinc/12/86/85/323128685.db2.gz KRNRDHGERVKPGQ-RISCZKNCSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825900 323128679 /nfs/dbraw/zinc/12/86/79/323128679.db2.gz PSNRURLJDSBUGB-FZMZJTMJSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@H](C)[N@H+]1C(C)C ZINC000260825902 323128574 /nfs/dbraw/zinc/12/85/74/323128574.db2.gz PSNRURLJDSBUGB-SMDDNHRTSA-N 1 0 220.360 3.511 40 0 BHABRO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1C(C)C ZINC000260825914 323128668 /nfs/dbraw/zinc/12/86/68/323128668.db2.gz RPVUOQSHDJUUPO-SWLSCSKDSA-N 1 0 234.387 3.901 40 0 BHABRO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@H+]1C(C)C ZINC000260825917 323128616 /nfs/dbraw/zinc/12/86/16/323128616.db2.gz RPVUOQSHDJUUPO-WFASDCNBSA-N 1 0 234.387 3.901 40 0 BHABRO CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@@H+]1C(C)C ZINC000260825959 323128598 /nfs/dbraw/zinc/12/85/98/323128598.db2.gz WYGCFSQGBPJGMU-DOMZBBRYSA-N 1 0 234.387 3.757 40 0 BHABRO CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@@H+]1C(C)C ZINC000260825962 323128609 /nfs/dbraw/zinc/12/86/09/323128609.db2.gz WYGCFSQGBPJGMU-WFASDCNBSA-N 1 0 234.387 3.757 40 0 BHABRO CCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000299817192 369385355 /nfs/dbraw/zinc/38/53/55/369385355.db2.gz KYIJLDDXQWBNGX-HNNXBMFYSA-N 1 0 245.366 3.524 40 0 in-vitro BHABRO CCCC[C@H](C(=O)c1ccccc1)[NH+]1CCCC1 ZINC000299817193 369385069 /nfs/dbraw/zinc/38/50/69/369385069.db2.gz KYIJLDDXQWBNGX-OAHLLOKOSA-N 1 0 245.366 3.524 40 0 in-vitro BHABRO CC1(C)C[NH2+]C[C@@H]1c1csc2ccccc12 ZINC000409428909 385327234 /nfs/dbraw/zinc/32/72/34/385327234.db2.gz BPIOOQOXESAFIX-GFCCVEGCSA-N 1 0 231.364 3.614 40 0 BHABRO CC1(C)C[NH2+]C[C@H]1c1csc2ccccc12 ZINC000409428927 385328562 /nfs/dbraw/zinc/32/85/62/385328562.db2.gz BPIOOQOXESAFIX-LBPRGKRZSA-N 1 0 231.364 3.614 40 0 BHABRO CC1(C)C[NH2+]C[C@H]1c1ccc2ccccc2c1 ZINC000409432927 343828868 /nfs/dbraw/zinc/82/88/68/343828868.db2.gz PYCATNLHXTYNHL-HNNXBMFYSA-N 1 0 225.335 3.553 40 0 BHABRO CC1(C)C[NH2+]C[C@@H]1c1ccc2ccccc2c1 ZINC000409432928 343828528 /nfs/dbraw/zinc/82/85/28/343828528.db2.gz PYCATNLHXTYNHL-OAHLLOKOSA-N 1 0 225.335 3.553 40 0 BHABRO CC1(C)C[NH2+]C[C@H]1c1cccc2ccccc21 ZINC000409433815 491119658 /nfs/dbraw/zinc/11/96/58/491119658.db2.gz UFNDLWPPBGRHNP-HNNXBMFYSA-N 1 0 225.335 3.553 40 0 BHABRO CC1(C)C[NH2+]C[C@@H]1c1cccc2ccccc21 ZINC000409433816 491119606 /nfs/dbraw/zinc/11/96/06/491119606.db2.gz UFNDLWPPBGRHNP-OAHLLOKOSA-N 1 0 225.335 3.553 40 0 BHABRO C[C@@H]1CCCn2cc(-c3ccsc3)nc21 ZINC000409438135 343849664 /nfs/dbraw/zinc/84/96/64/343849664.db2.gz KTWKQTWZEYNNRP-SECBINFHSA-N 1 0 218.325 3.509 40 0 BHABRO C[C@H]1CCCn2cc(-c3ccsc3)nc21 ZINC000409438137 343849906 /nfs/dbraw/zinc/84/99/06/343849906.db2.gz KTWKQTWZEYNNRP-VIFPVBQESA-N 1 0 218.325 3.509 40 0 BHABRO C[C@@H]1CCCc2nc(-c3ccsc3)cn21 ZINC000409438724 343844991 /nfs/dbraw/zinc/84/49/91/343844991.db2.gz NYZQEWCSXOCCRA-SECBINFHSA-N 1 0 218.325 3.509 40 0 BHABRO C[C@H]1CCCc2nc(-c3ccsc3)cn21 ZINC000409438725 343845008 /nfs/dbraw/zinc/84/50/08/343845008.db2.gz NYZQEWCSXOCCRA-VIFPVBQESA-N 1 0 218.325 3.509 40 0 BHABRO CC1=CC(C23CC4CC(CC(C4)C2)C3)=[NH+]C1 ZINC000521395903 386718928 /nfs/dbraw/zinc/71/89/28/386718928.db2.gz KYGBZCRRJVVWAP-UHFFFAOYSA-N 1 0 215.340 3.604 40 0 BHABRO Cc1c(C(C)C)oc2c1[C@@H]([NH3+])CC(C)(C)C2 ZINC000575423172 387037565 /nfs/dbraw/zinc/03/75/65/387037565.db2.gz KYODPSULLACILO-JTQLQIEISA-N 1 0 221.344 3.684 40 0 BHABRO Cc1c(C(C)C)oc2c1[C@H]([NH3+])CC(C)(C)C2 ZINC000575423185 387037304 /nfs/dbraw/zinc/03/73/04/387037304.db2.gz KYODPSULLACILO-SNVBAGLBSA-N 1 0 221.344 3.684 40 0 BHABRO C[NH2+]CC(C)(C)Cc1ccc2ccccc2c1 ZINC000585142655 343876677 /nfs/dbraw/zinc/87/66/77/343876677.db2.gz SOWVYVWWFHAZRG-UHFFFAOYSA-N 1 0 227.351 3.628 40 0 BHABRO Nc1ccc2nccc(OC3CCCCC3)c2c1 ZINC000685937894 538761659 /nfs/dbraw/zinc/76/16/59/538761659.db2.gz ZPUZTRWNNQKTBY-UHFFFAOYSA-N 1 0 242.322 3.529 40 0 BHABRO