smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]1(Cc2cc([C@H]3CCC[N@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275050 506843043 /nfs/dbraw/zinc/84/30/43/506843043.db2.gz DTTODXOCUBSWJV-JXFKEZNVSA-N 1 3 363.502 2.692 40 0 FFABHO CCOC(=O)[C@]1(Cc2cc([C@H]3CCC[N@@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275050 506843045 /nfs/dbraw/zinc/84/30/45/506843045.db2.gz DTTODXOCUBSWJV-JXFKEZNVSA-N 1 3 363.502 2.692 40 0 FFABHO COc1cc(C)ccc1CN1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019133861 507155790 /nfs/dbraw/zinc/15/57/90/507155790.db2.gz UPSBLSSNHXZFIR-KRWDZBQOSA-N 1 3 365.481 2.697 40 0 FFABHO CCn1cc(CN2CCC3(C[N@H+](Cc4ccco4)C[C@H]3COC)CC2)cn1 ZINC000247917760 509192049 /nfs/dbraw/zinc/19/20/49/509192049.db2.gz ZTPIWSVAQZYOBX-IBGZPJMESA-N 1 3 372.513 2.857 40 0 FFABHO CCn1cc(CN2CCC3(C[N@@H+](Cc4ccco4)C[C@H]3COC)CC2)cn1 ZINC000247917760 509192053 /nfs/dbraw/zinc/19/20/53/509192053.db2.gz ZTPIWSVAQZYOBX-IBGZPJMESA-N 1 3 372.513 2.857 40 0 FFABHO CN(C)C(=O)NC[C@@H]1N(Cc2cccs2)CCCC12CC[NH+](C)CC2 ZINC000306131108 511760470 /nfs/dbraw/zinc/76/04/70/511760470.db2.gz JWVCAPNBPREYRC-KRWDZBQOSA-N 1 3 364.559 2.696 40 0 FFABHO c1csc(CN2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096106673 508206114 /nfs/dbraw/zinc/20/61/14/508206114.db2.gz QBFWNUYTWCIXHY-QGZVFWFLSA-N 1 3 350.528 2.984 40 0 FFABHO COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1ccccn1)CC2 ZINC000585102985 518538710 /nfs/dbraw/zinc/53/87/10/518538710.db2.gz KHIXAFXAVCAVPC-FQEVSTJZSA-N 1 3 366.509 2.837 40 0 FFABHO COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1ccccn1)CC2 ZINC000585102985 518538714 /nfs/dbraw/zinc/53/87/14/518538714.db2.gz KHIXAFXAVCAVPC-FQEVSTJZSA-N 1 3 366.509 2.837 40 0 FFABHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000257341419 509981736 /nfs/dbraw/zinc/98/17/36/509981736.db2.gz ZKEZWLQQMYZYEA-IRJFHVNHSA-N 1 3 373.541 2.789 40 0 FFABHO COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 ZINC000585102750 518538184 /nfs/dbraw/zinc/53/81/84/518538184.db2.gz CWHANNZDQROLLR-NRFANRHFSA-N 1 3 366.509 2.837 40 0 FFABHO COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 ZINC000585102750 518538188 /nfs/dbraw/zinc/53/81/88/518538188.db2.gz CWHANNZDQROLLR-NRFANRHFSA-N 1 3 366.509 2.837 40 0 FFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247837047 510871424 /nfs/dbraw/zinc/87/14/24/510871424.db2.gz JOBSHIMEVPEUOD-SFHVURJKSA-N 1 3 350.478 2.633 40 0 FFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247837047 510871425 /nfs/dbraw/zinc/87/14/25/510871425.db2.gz JOBSHIMEVPEUOD-SFHVURJKSA-N 1 3 350.478 2.633 40 0 FFABHO COC[C@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccco1)CC2 ZINC000585102991 518539180 /nfs/dbraw/zinc/53/91/80/518539180.db2.gz KKICYZGCWOKKAR-LJQANCHMSA-N 1 3 362.514 2.867 40 0 FFABHO COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccco1)CC2 ZINC000585102991 518539186 /nfs/dbraw/zinc/53/91/86/518539186.db2.gz KKICYZGCWOKKAR-LJQANCHMSA-N 1 3 362.514 2.867 40 0 FFABHO COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccco1)CC2 ZINC000585102989 518539268 /nfs/dbraw/zinc/53/92/68/518539268.db2.gz KKICYZGCWOKKAR-IBGZPJMESA-N 1 3 362.514 2.867 40 0 FFABHO COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccco1)CC2 ZINC000585102989 518539274 /nfs/dbraw/zinc/53/92/74/518539274.db2.gz KKICYZGCWOKKAR-IBGZPJMESA-N 1 3 362.514 2.867 40 0 FFABHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@]12CCN(CCN1CCCC1)C2=O ZINC000096201712 209133044 /nfs/dbraw/zinc/13/30/44/209133044.db2.gz VTCJVAJCLQXQLQ-UTKZUKDTSA-N 1 3 359.489 2.592 40 0 FFABHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@]12CCN(CCN1CCCC1)C2=O ZINC000096201712 209133047 /nfs/dbraw/zinc/13/30/47/209133047.db2.gz VTCJVAJCLQXQLQ-UTKZUKDTSA-N 1 3 359.489 2.592 40 0 FFABHO C[C@H](O)N[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951407 209089795 /nfs/dbraw/zinc/08/97/95/209089795.db2.gz OIFRWFAWRGLAIA-ZHNGQKSSSA-N 1 3 351.494 2.520 40 0 biogenic FFABHO C[C@H](O)N[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000095951407 209089797 /nfs/dbraw/zinc/08/97/97/209089797.db2.gz OIFRWFAWRGLAIA-ZHNGQKSSSA-N 1 3 351.494 2.520 40 0 biogenic FFABHO Cc1ccc(CN2CC[C@]3(C[C@@H](OCC[NH+]4CCCC4)CO3)C2)s1 ZINC000096206945 209135149 /nfs/dbraw/zinc/13/51/49/209135149.db2.gz LHNJBJNRZLXGDX-MJGOQNOKSA-N 1 3 350.528 2.902 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4ccsc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036283 209096285 /nfs/dbraw/zinc/09/62/85/209096285.db2.gz MMFXGQOVXZWHPD-FXAWDEMLSA-N 1 3 361.555 2.760 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4ccsc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036283 209096287 /nfs/dbraw/zinc/09/62/87/209096287.db2.gz MMFXGQOVXZWHPD-FXAWDEMLSA-N 1 3 361.555 2.760 40 0 FFABHO CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC[NH2+]C1)Cc1cc(C)ccc1O2 ZINC000072394522 507782562 /nfs/dbraw/zinc/78/25/62/507782562.db2.gz NWEPCLYNEBLNFD-SFHVURJKSA-N 1 3 371.525 2.570 40 0 FFABHO COc1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)C[C@@]1(CCCN(C)CC1)O2 ZINC000253612974 509903913 /nfs/dbraw/zinc/90/39/13/509903913.db2.gz CTVDQEGCFUMIMQ-UTKZUKDTSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)C[N@H+](C[C@H]1CCOC1)C[C@@]1(CCCN(C)CC1)O2 ZINC000253612974 509903920 /nfs/dbraw/zinc/90/39/20/509903920.db2.gz CTVDQEGCFUMIMQ-UTKZUKDTSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@H]1CCOC1)C[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000253612974 509903926 /nfs/dbraw/zinc/90/39/26/509903926.db2.gz CTVDQEGCFUMIMQ-UTKZUKDTSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@H]1CCOC1)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000253612974 509903931 /nfs/dbraw/zinc/90/39/31/509903931.db2.gz CTVDQEGCFUMIMQ-UTKZUKDTSA-N 1 3 360.498 2.781 40 0 FFABHO c1cc(CN2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)cs1 ZINC000096106675 222025626 /nfs/dbraw/zinc/02/56/26/222025626.db2.gz QIMQGUNOHMNFRL-GOSISDBHSA-N 1 3 350.528 2.984 40 0 FFABHO COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1cccnc1)CC2 ZINC000585103522 518538307 /nfs/dbraw/zinc/53/83/07/518538307.db2.gz PLIQISJXADNKOA-NRFANRHFSA-N 1 3 373.541 2.669 40 0 FFABHO COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1cccnc1)CC2 ZINC000585103522 518538314 /nfs/dbraw/zinc/53/83/14/518538314.db2.gz PLIQISJXADNKOA-NRFANRHFSA-N 1 3 373.541 2.669 40 0 FFABHO C#[N+]c1cnc([N-]c2cc(-c3c(OC)cccc3OCCC[NH3+])[nH]n2)cn1 ZINC000299754558 210006592 /nfs/dbraw/zinc/00/65/92/210006592.db2.gz PPEUKQAQSHKUSG-UHFFFAOYSA-N 1 3 365.397 2.897 40 0 FFABHO Cc1ccc(CN2CC[C@]3(C[C@H](OCC[NH+]4CCCC4)CO3)C2)s1 ZINC000096107591 222026920 /nfs/dbraw/zinc/02/69/20/222026920.db2.gz LHNJBJNRZLXGDX-HKUYNNGSSA-N 1 3 350.528 2.902 40 0 FFABHO C[NH+](C)CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013669026 211047368 /nfs/dbraw/zinc/04/73/68/211047368.db2.gz NLCANCXGLYTCPX-UHFFFAOYSA-N 1 3 351.494 2.926 40 0 FFABHO COCCN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242751 222096789 /nfs/dbraw/zinc/09/67/89/222096789.db2.gz HOCPXDOUQVUBHT-HKUYNNGSSA-N 1 3 360.498 2.617 40 0 FFABHO CCn1cc(CN2CCC3(C[N@H+](Cc4ccco4)C[C@@H]3COC)CC2)cn1 ZINC000247917763 509192143 /nfs/dbraw/zinc/19/21/43/509192143.db2.gz ZTPIWSVAQZYOBX-LJQANCHMSA-N 1 3 372.513 2.857 40 0 FFABHO CCn1cc(CN2CCC3(C[N@@H+](Cc4ccco4)C[C@@H]3COC)CC2)cn1 ZINC000247917763 509192150 /nfs/dbraw/zinc/19/21/50/509192150.db2.gz ZTPIWSVAQZYOBX-LJQANCHMSA-N 1 3 372.513 2.857 40 0 FFABHO COC[C@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103651 518539510 /nfs/dbraw/zinc/53/95/10/518539510.db2.gz QNBLTZZIQJAUDW-HXUWFJFHSA-N 1 3 362.514 2.867 40 0 FFABHO COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103651 518539517 /nfs/dbraw/zinc/53/95/17/518539517.db2.gz QNBLTZZIQJAUDW-HXUWFJFHSA-N 1 3 362.514 2.867 40 0 FFABHO COCCN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O2 ZINC000096242753 222097664 /nfs/dbraw/zinc/09/76/64/222097664.db2.gz HOCPXDOUQVUBHT-MJGOQNOKSA-N 1 3 360.498 2.617 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4ccc(F)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036286 508202927 /nfs/dbraw/zinc/20/29/27/508202927.db2.gz POBWXBOWBJAPDJ-SIKLNZKXSA-N 1 3 373.516 2.838 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4ccc(F)cc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036286 508202930 /nfs/dbraw/zinc/20/29/30/508202930.db2.gz POBWXBOWBJAPDJ-SIKLNZKXSA-N 1 3 373.516 2.838 40 0 FFABHO COc1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)C[C@]1(CCCN(C)CC1)O2 ZINC000253612973 509904451 /nfs/dbraw/zinc/90/44/51/509904451.db2.gz CTVDQEGCFUMIMQ-DYESRHJHSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)C[N@H+](C[C@H]1CCOC1)C[C@]1(CCCN(C)CC1)O2 ZINC000253612973 509904459 /nfs/dbraw/zinc/90/44/59/509904459.db2.gz CTVDQEGCFUMIMQ-DYESRHJHSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@H]1CCOC1)C[C@]1(CCC[N@H+](C)CC1)O2 ZINC000253612973 509904464 /nfs/dbraw/zinc/90/44/64/509904464.db2.gz CTVDQEGCFUMIMQ-DYESRHJHSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@H]1CCOC1)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000253612973 509904467 /nfs/dbraw/zinc/90/44/67/509904467.db2.gz CTVDQEGCFUMIMQ-DYESRHJHSA-N 1 3 360.498 2.781 40 0 FFABHO CCOC(=O)[C@]1(Cc2cc([C@@H]3CCC[N@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275043 506842506 /nfs/dbraw/zinc/84/25/06/506842506.db2.gz DTTODXOCUBSWJV-UZLBHIALSA-N 1 3 363.502 2.692 40 0 FFABHO CCOC(=O)[C@]1(Cc2cc([C@@H]3CCC[N@@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275043 506842512 /nfs/dbraw/zinc/84/25/12/506842512.db2.gz DTTODXOCUBSWJV-UZLBHIALSA-N 1 3 363.502 2.692 40 0 FFABHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585289963 518556799 /nfs/dbraw/zinc/55/67/99/518556799.db2.gz YGKSXQYRZQAJPK-XUVXKRRUSA-N 1 3 350.478 2.949 40 0 FFABHO C[C@@H](O)N[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951408 508199220 /nfs/dbraw/zinc/19/92/20/508199220.db2.gz OIFRWFAWRGLAIA-BRKWEVRTSA-N 1 3 351.494 2.520 40 0 biogenic FFABHO C[C@@H](O)N[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000095951408 508199223 /nfs/dbraw/zinc/19/92/23/508199223.db2.gz OIFRWFAWRGLAIA-BRKWEVRTSA-N 1 3 351.494 2.520 40 0 biogenic FFABHO COc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OCC[NH+](C)C ZINC000585273617 518550506 /nfs/dbraw/zinc/55/05/06/518550506.db2.gz QYWUFFDEHICORS-IBGZPJMESA-N 1 3 358.482 2.801 40 0 FFABHO Cc1ccc([C@@H](C)CCN2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000306128299 223108103 /nfs/dbraw/zinc/10/81/03/223108103.db2.gz GWMCOSRRDWYXAL-HQRMLTQVSA-N 1 3 350.503 2.893 40 0 FFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000248069041 509228748 /nfs/dbraw/zinc/22/87/48/509228748.db2.gz FRWIAMPKMINKSU-QGZVFWFLSA-N 1 3 352.544 2.863 40 0 FFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000248069041 509228753 /nfs/dbraw/zinc/22/87/53/509228753.db2.gz FRWIAMPKMINKSU-QGZVFWFLSA-N 1 3 352.544 2.863 40 0 FFABHO CN1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306127027 530051065 /nfs/dbraw/zinc/05/10/65/530051065.db2.gz FLWZFABNINVSFR-UHFFFAOYSA-N 1 3 352.482 2.959 40 0 FFABHO O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1CC[NH+]1CCCC1 ZINC000096228146 222089480 /nfs/dbraw/zinc/08/94/80/222089480.db2.gz UNYAGEUMXFHEDK-UHFFFAOYSA-N 1 3 359.489 2.879 40 0 FFABHO COc1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)C[C@@]1(CCCN(C)CC1)O2 ZINC000012365608 506855583 /nfs/dbraw/zinc/85/55/83/506855583.db2.gz CTVDQEGCFUMIMQ-UWJYYQICSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)C[C@@]1(CCCN(C)CC1)O2 ZINC000012365608 506855591 /nfs/dbraw/zinc/85/55/91/506855591.db2.gz CTVDQEGCFUMIMQ-UWJYYQICSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@@H]1CCOC1)C[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000012365608 506855600 /nfs/dbraw/zinc/85/56/00/506855600.db2.gz CTVDQEGCFUMIMQ-UWJYYQICSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@@H]1CCOC1)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000012365608 506855604 /nfs/dbraw/zinc/85/56/04/506855604.db2.gz CTVDQEGCFUMIMQ-UWJYYQICSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccccc1CN1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019590721 220277917 /nfs/dbraw/zinc/27/79/17/220277917.db2.gz TVAJPIVCNZTYKT-UHFFFAOYSA-N 1 3 352.482 2.853 40 0 FFABHO COc1ccccc1CN1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019590721 220277922 /nfs/dbraw/zinc/27/79/22/220277922.db2.gz TVAJPIVCNZTYKT-UHFFFAOYSA-N 1 3 352.482 2.853 40 0 FFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000248069032 509229075 /nfs/dbraw/zinc/22/90/75/509229075.db2.gz FRWIAMPKMINKSU-KRWDZBQOSA-N 1 3 352.544 2.863 40 0 FFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000248069032 509229079 /nfs/dbraw/zinc/22/90/79/509229079.db2.gz FRWIAMPKMINKSU-KRWDZBQOSA-N 1 3 352.544 2.863 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4cccs4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036281 508202830 /nfs/dbraw/zinc/20/28/30/508202830.db2.gz QAHFXGIGTIIYLX-FXAWDEMLSA-N 1 3 361.555 2.760 40 0 FFABHO CN(C)C(=O)[C@@]12CCC3(CCN(Cc4cccs4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036281 508202834 /nfs/dbraw/zinc/20/28/34/508202834.db2.gz QAHFXGIGTIIYLX-FXAWDEMLSA-N 1 3 361.555 2.760 40 0 FFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1sccc1C)CC2 ZINC000253598575 509900793 /nfs/dbraw/zinc/90/07/93/509900793.db2.gz DNDHYZFETXLIRM-QGZVFWFLSA-N 1 3 352.544 2.863 40 0 FFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1sccc1C)CC2 ZINC000253598575 509900799 /nfs/dbraw/zinc/90/07/99/509900799.db2.gz DNDHYZFETXLIRM-QGZVFWFLSA-N 1 3 352.544 2.863 40 0 FFABHO CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@@H]12 ZINC000306137237 528022032 /nfs/dbraw/zinc/02/20/32/528022032.db2.gz QQGDDJKWMDRCED-IFMALSPDSA-N 1 3 357.542 2.839 40 0 FFABHO CC(C)C[N@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@@H]12 ZINC000306137237 528022037 /nfs/dbraw/zinc/02/20/37/528022037.db2.gz QQGDDJKWMDRCED-IFMALSPDSA-N 1 3 357.542 2.839 40 0 FFABHO CN1CCC[C@@H](CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257312055 223062213 /nfs/dbraw/zinc/06/22/13/223062213.db2.gz UMGRAGVKKPKLOA-SFHVURJKSA-N 1 3 366.509 2.882 40 0 FFABHO CC(C)(CN1CCOCC1)C[N@@H+]1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000022915945 507318814 /nfs/dbraw/zinc/31/88/14/507318814.db2.gz RGYGGZHNCXUKNZ-VXKWHMMOSA-N 1 3 371.569 2.736 40 0 FFABHO CC(C)(CN1CCOCC1)C[N@H+]1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000022915945 507318818 /nfs/dbraw/zinc/31/88/18/507318818.db2.gz RGYGGZHNCXUKNZ-VXKWHMMOSA-N 1 3 371.569 2.736 40 0 FFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1sccc1C)CC2 ZINC000253598571 509900699 /nfs/dbraw/zinc/90/06/99/509900699.db2.gz DNDHYZFETXLIRM-KRWDZBQOSA-N 1 3 352.544 2.863 40 0 FFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1sccc1C)CC2 ZINC000253598571 509900706 /nfs/dbraw/zinc/90/07/06/509900706.db2.gz DNDHYZFETXLIRM-KRWDZBQOSA-N 1 3 352.544 2.863 40 0 FFABHO CN1CCC(NC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)CC1 ZINC000257229149 223029494 /nfs/dbraw/zinc/02/94/94/223029494.db2.gz FWVRJSFNOBJMEE-UHFFFAOYSA-N 1 3 352.482 2.634 40 0 FFABHO Cc1ccc(CN2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@@H+](C)C[C@@H]34)CC2)o1 ZINC000096036284 508203219 /nfs/dbraw/zinc/20/32/19/508203219.db2.gz KRNHXDKLVXDVPE-GHTZIAJQSA-N 1 3 359.514 2.600 40 0 FFABHO Cc1ccc(CN2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@H+](C)C[C@@H]34)CC2)o1 ZINC000096036284 508203221 /nfs/dbraw/zinc/20/32/21/508203221.db2.gz KRNHXDKLVXDVPE-GHTZIAJQSA-N 1 3 359.514 2.600 40 0 FFABHO CN(C)C(=O)NC[C@H]1N(Cc2cccs2)CCCC12CC[NH+](C)CC2 ZINC000306131109 223108959 /nfs/dbraw/zinc/10/89/59/223108959.db2.gz JWVCAPNBPREYRC-QGZVFWFLSA-N 1 3 364.559 2.696 40 0 FFABHO c1ccc(CNCCOCCOCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000034338295 506367500 /nfs/dbraw/zinc/36/75/00/506367500.db2.gz AMAKQWSBAYMYRA-UHFFFAOYSA-N 1 3 372.509 2.616 40 0 FFABHO Cc1cccc(O[C@H]2CCN(Cc3ccc(OCC[NH3+])cc3)C[C@]2(C)O)c1 ZINC000585273761 518550948 /nfs/dbraw/zinc/55/09/48/518550948.db2.gz QSGIGCJMAKKPLQ-VXKWHMMOSA-N 1 3 370.493 2.737 40 0 FFABHO COc1cccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590717 220278258 /nfs/dbraw/zinc/27/82/58/220278258.db2.gz BXFQDQDQCCANFK-UHFFFAOYSA-N 1 3 352.482 2.853 40 0 FFABHO COc1cccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019590717 220278262 /nfs/dbraw/zinc/27/82/62/220278262.db2.gz BXFQDQDQCCANFK-UHFFFAOYSA-N 1 3 352.482 2.853 40 0 FFABHO c1csc(CN2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096106672 222025576 /nfs/dbraw/zinc/02/55/76/222025576.db2.gz QBFWNUYTWCIXHY-KRWDZBQOSA-N 1 3 350.528 2.984 40 0 FFABHO COC[C@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1cccnc1)CC2 ZINC000585103534 518538464 /nfs/dbraw/zinc/53/84/64/518538464.db2.gz PLIQISJXADNKOA-OAQYLSRUSA-N 1 3 373.541 2.669 40 0 FFABHO COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1cccnc1)CC2 ZINC000585103534 518538469 /nfs/dbraw/zinc/53/84/69/518538469.db2.gz PLIQISJXADNKOA-OAQYLSRUSA-N 1 3 373.541 2.669 40 0 FFABHO COc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000033664293 506361504 /nfs/dbraw/zinc/36/15/04/506361504.db2.gz XHRYZVXKLCDLPJ-UHFFFAOYSA-N 1 3 361.530 2.611 40 0 FFABHO COCCN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O2 ZINC000096242754 508212329 /nfs/dbraw/zinc/21/23/29/508212329.db2.gz HOCPXDOUQVUBHT-IEBWSBKVSA-N 1 3 360.498 2.617 40 0 FFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247837045 510871431 /nfs/dbraw/zinc/87/14/31/510871431.db2.gz JOBSHIMEVPEUOD-GOSISDBHSA-N 1 3 350.478 2.633 40 0 FFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247837045 510871432 /nfs/dbraw/zinc/87/14/32/510871432.db2.gz JOBSHIMEVPEUOD-GOSISDBHSA-N 1 3 350.478 2.633 40 0 FFABHO CN(C)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](C)C)ccc1-2 ZINC000001488393 204009569 /nfs/dbraw/zinc/00/95/69/204009569.db2.gz WVGDOXLWDJMWGP-UHFFFAOYSA-N 1 3 354.450 2.779 40 0 FFABHO c1cc(CN2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)cs1 ZINC000096106674 508206276 /nfs/dbraw/zinc/20/62/76/508206276.db2.gz QIMQGUNOHMNFRL-SFHVURJKSA-N 1 3 350.528 2.984 40 0 FFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000247849047 510871499 /nfs/dbraw/zinc/87/14/99/510871499.db2.gz OARJPLMVPGFBMC-IBGZPJMESA-N 1 3 362.514 2.502 40 0 FFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000247849047 510871500 /nfs/dbraw/zinc/87/15/00/510871500.db2.gz OARJPLMVPGFBMC-IBGZPJMESA-N 1 3 362.514 2.502 40 0 FFABHO COc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+](C)C ZINC000585273639 518550609 /nfs/dbraw/zinc/55/06/09/518550609.db2.gz QYWUFFDEHICORS-LJQANCHMSA-N 1 3 358.482 2.801 40 0 FFABHO CCc1ccc(C[NH+]2CCC3(C[C@@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220849 209137464 /nfs/dbraw/zinc/13/74/64/209137464.db2.gz FZDIZFYEKKUINB-OAQYLSRUSA-N 1 3 357.542 2.620 40 0 FFABHO COC[C@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1ccccn1)CC2 ZINC000585102986 518538351 /nfs/dbraw/zinc/53/83/51/518538351.db2.gz KHIXAFXAVCAVPC-HXUWFJFHSA-N 1 3 366.509 2.837 40 0 FFABHO COC[C@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1ccccn1)CC2 ZINC000585102986 518538357 /nfs/dbraw/zinc/53/83/57/518538357.db2.gz KHIXAFXAVCAVPC-HXUWFJFHSA-N 1 3 366.509 2.837 40 0 FFABHO COc1c(C)cccc1CN1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019235902 507160883 /nfs/dbraw/zinc/16/08/83/507160883.db2.gz IMFLOVSBJUANCL-INIZCTEOSA-N 1 3 365.481 2.697 40 0 FFABHO CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[NH2+]C1)Cc1cc(C)ccc1O2 ZINC000072394521 507782400 /nfs/dbraw/zinc/78/24/00/507782400.db2.gz NWEPCLYNEBLNFD-GOSISDBHSA-N 1 3 371.525 2.570 40 0 FFABHO CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@@H]12 ZINC000306137238 511762773 /nfs/dbraw/zinc/76/27/73/511762773.db2.gz QQGDDJKWMDRCED-IRLDBZIGSA-N 1 3 357.542 2.839 40 0 FFABHO CC(C)C[N@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@@H]12 ZINC000306137238 511762776 /nfs/dbraw/zinc/76/27/76/511762776.db2.gz QQGDDJKWMDRCED-IRLDBZIGSA-N 1 3 357.542 2.839 40 0 FFABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnn(C)c4)C3)CC2)c1 ZINC000096157601 209125819 /nfs/dbraw/zinc/12/58/19/209125819.db2.gz LDDHWWXGJAKNEE-UHFFFAOYSA-N 1 3 354.498 2.917 40 0 FFABHO CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@H]12 ZINC000306137239 511761757 /nfs/dbraw/zinc/76/17/57/511761757.db2.gz QQGDDJKWMDRCED-RBBKRZOGSA-N 1 3 357.542 2.839 40 0 FFABHO CC(C)C[N@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@H]12 ZINC000306137239 511761761 /nfs/dbraw/zinc/76/17/61/511761761.db2.gz QQGDDJKWMDRCED-RBBKRZOGSA-N 1 3 357.542 2.839 40 0 FFABHO Cn1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220955 209137653 /nfs/dbraw/zinc/13/76/53/209137653.db2.gz VCMIPMJJUKNJKV-FQEVSTJZSA-N 1 3 354.498 2.676 40 0 FFABHO Cn1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220955 209137656 /nfs/dbraw/zinc/13/76/56/209137656.db2.gz VCMIPMJJUKNJKV-FQEVSTJZSA-N 1 3 354.498 2.676 40 0 FFABHO CCOC(=O)[C@@]1(Cc2cc([C@H]3CCC[N@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275049 207352904 /nfs/dbraw/zinc/35/29/04/207352904.db2.gz DTTODXOCUBSWJV-OXJNMPFZSA-N 1 3 363.502 2.692 40 0 FFABHO CCOC(=O)[C@@]1(Cc2cc([C@H]3CCC[N@@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275049 207352907 /nfs/dbraw/zinc/35/29/07/207352907.db2.gz DTTODXOCUBSWJV-OXJNMPFZSA-N 1 3 363.502 2.692 40 0 FFABHO COC[C@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 ZINC000585102751 518538242 /nfs/dbraw/zinc/53/82/42/518538242.db2.gz CWHANNZDQROLLR-OAQYLSRUSA-N 1 3 366.509 2.837 40 0 FFABHO COC[C@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 ZINC000585102751 518538248 /nfs/dbraw/zinc/53/82/48/518538248.db2.gz CWHANNZDQROLLR-OAQYLSRUSA-N 1 3 366.509 2.837 40 0 FFABHO C/C(=C\c1ccccc1)CN1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709194 211248022 /nfs/dbraw/zinc/24/80/22/211248022.db2.gz LMFPKOZYVGOJJT-DQSGYLJSSA-N 1 3 351.498 2.707 40 0 FFABHO COCCN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242752 222096987 /nfs/dbraw/zinc/09/69/87/222096987.db2.gz HOCPXDOUQVUBHT-PKOBYXMFSA-N 1 3 360.498 2.617 40 0 FFABHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000096201713 222073976 /nfs/dbraw/zinc/07/39/76/222073976.db2.gz VTCJVAJCLQXQLQ-DYESRHJHSA-N 1 3 359.489 2.592 40 0 FFABHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000096201713 222073980 /nfs/dbraw/zinc/07/39/80/222073980.db2.gz VTCJVAJCLQXQLQ-DYESRHJHSA-N 1 3 359.489 2.592 40 0 FFABHO COc1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)C[C@]1(CCCN(C)CC1)O2 ZINC000012365607 506856078 /nfs/dbraw/zinc/85/60/78/506856078.db2.gz CTVDQEGCFUMIMQ-LAUBAEHRSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)C[C@]1(CCCN(C)CC1)O2 ZINC000012365607 506856086 /nfs/dbraw/zinc/85/60/86/506856086.db2.gz CTVDQEGCFUMIMQ-LAUBAEHRSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@@H]1CCOC1)C[C@]1(CCC[N@H+](C)CC1)O2 ZINC000012365607 506856091 /nfs/dbraw/zinc/85/60/91/506856091.db2.gz CTVDQEGCFUMIMQ-LAUBAEHRSA-N 1 3 360.498 2.781 40 0 FFABHO COc1ccc2c(c1)CN(C[C@@H]1CCOC1)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000012365607 506856097 /nfs/dbraw/zinc/85/60/97/506856097.db2.gz CTVDQEGCFUMIMQ-LAUBAEHRSA-N 1 3 360.498 2.781 40 0 FFABHO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccoc1)CC3 ZINC000096036299 508202898 /nfs/dbraw/zinc/20/28/98/508202898.db2.gz DUDKVNDNVKSCPQ-SIKLNZKXSA-N 1 3 371.525 2.826 40 0 FFABHO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccoc1)CC3 ZINC000096036299 508202900 /nfs/dbraw/zinc/20/29/00/508202900.db2.gz DUDKVNDNVKSCPQ-SIKLNZKXSA-N 1 3 371.525 2.826 40 0 FFABHO Cn1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220958 222085250 /nfs/dbraw/zinc/08/52/50/222085250.db2.gz VCMIPMJJUKNJKV-HXUWFJFHSA-N 1 3 354.498 2.676 40 0 FFABHO Cn1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220958 222085254 /nfs/dbraw/zinc/08/52/54/222085254.db2.gz VCMIPMJJUKNJKV-HXUWFJFHSA-N 1 3 354.498 2.676 40 0 FFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000247886206 509188508 /nfs/dbraw/zinc/18/85/08/509188508.db2.gz RSNRYOFFMRVDHE-LJQANCHMSA-N 1 3 362.514 2.502 40 0 FFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000247886206 509188516 /nfs/dbraw/zinc/18/85/16/509188516.db2.gz RSNRYOFFMRVDHE-LJQANCHMSA-N 1 3 362.514 2.502 40 0 FFABHO CCN(C(=O)C1CCN(Cc2ccccc2OC)CC1)C1CC[NH+](C)CC1 ZINC000019714051 211247986 /nfs/dbraw/zinc/24/79/86/211247986.db2.gz RUTYWLOKOYGMGK-UHFFFAOYSA-N 1 3 373.541 2.850 40 0 FFABHO c1ccc2c(c1)CN([C@@H]1CCOC1)CC21CC[NH+](C2CCOCC2)CC1 ZINC000096242479 222096493 /nfs/dbraw/zinc/09/64/93/222096493.db2.gz VAFOVKOHHWDUNG-HXUWFJFHSA-N 1 3 356.510 2.804 40 0 FFABHO CCc1ccc(C[NH+]2CCC3(C[C@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220846 222084885 /nfs/dbraw/zinc/08/48/85/222084885.db2.gz FZDIZFYEKKUINB-NRFANRHFSA-N 1 3 357.542 2.620 40 0 FFABHO CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCC[N@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275039 506843417 /nfs/dbraw/zinc/84/34/17/506843417.db2.gz DTTODXOCUBSWJV-OXQOHEQNSA-N 1 3 363.502 2.692 40 0 FFABHO CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCC[N@@H+](CC)C3)no2)CCCN(C)C1 ZINC000012275039 506843426 /nfs/dbraw/zinc/84/34/26/506843426.db2.gz DTTODXOCUBSWJV-OXQOHEQNSA-N 1 3 363.502 2.692 40 0 FFABHO CN1CCC[C@H](CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257312054 223061809 /nfs/dbraw/zinc/06/18/09/223061809.db2.gz UMGRAGVKKPKLOA-GOSISDBHSA-N 1 3 366.509 2.882 40 0 FFABHO COc1c(C)cccc1CN1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019235901 211208445 /nfs/dbraw/zinc/20/84/45/211208445.db2.gz IMFLOVSBJUANCL-MRXNPFEDSA-N 1 3 365.481 2.697 40 0 FFABHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000100768857 222252090 /nfs/dbraw/zinc/25/20/90/222252090.db2.gz ZKEZWLQQMYZYEA-MSEWRSJXSA-N 1 3 373.541 2.789 40 0 FFABHO CC1CCN(CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)CC1 ZINC000012147615 506824220 /nfs/dbraw/zinc/82/42/20/506824220.db2.gz AEIKFFVNCSCZEC-QIDMFYOTSA-N 1 3 374.573 2.993 40 0 FFABHO CC1CCN(CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)CC1 ZINC000012147615 506824223 /nfs/dbraw/zinc/82/42/23/506824223.db2.gz AEIKFFVNCSCZEC-QIDMFYOTSA-N 1 3 374.573 2.993 40 0 FFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000247849050 510871485 /nfs/dbraw/zinc/87/14/85/510871485.db2.gz OARJPLMVPGFBMC-LJQANCHMSA-N 1 3 362.514 2.502 40 0 FFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000247849050 510871486 /nfs/dbraw/zinc/87/14/86/510871486.db2.gz OARJPLMVPGFBMC-LJQANCHMSA-N 1 3 362.514 2.502 40 0 FFABHO C/C(=C\c1ccccc1)CN1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709195 220288446 /nfs/dbraw/zinc/28/84/46/220288446.db2.gz LMFPKOZYVGOJJT-FLXZHSAZSA-N 1 3 351.498 2.707 40 0 FFABHO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000585288911 518554520 /nfs/dbraw/zinc/55/45/20/518554520.db2.gz LEYHXSFBEPWFBQ-XUVXKRRUSA-N 1 3 350.478 2.952 40 0 FFABHO COc1cc(C)ccc1CN1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019133858 220237571 /nfs/dbraw/zinc/23/75/71/220237571.db2.gz UPSBLSSNHXZFIR-QGZVFWFLSA-N 1 3 365.481 2.697 40 0 FFABHO Cn1cc(CN2CCC3(CC2)C[N@@H+]([C@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242588 222097094 /nfs/dbraw/zinc/09/70/94/222097094.db2.gz VKXNZCBAGFQDDD-FQEVSTJZSA-N 1 3 366.509 2.558 40 0 FFABHO Cn1cc(CN2CCC3(CC2)C[N@H+]([C@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242588 222097097 /nfs/dbraw/zinc/09/70/97/222097097.db2.gz VKXNZCBAGFQDDD-FQEVSTJZSA-N 1 3 366.509 2.558 40 0 FFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000247886201 509188138 /nfs/dbraw/zinc/18/81/38/509188138.db2.gz RSNRYOFFMRVDHE-IBGZPJMESA-N 1 3 362.514 2.502 40 0 FFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000247886201 509188146 /nfs/dbraw/zinc/18/81/46/509188146.db2.gz RSNRYOFFMRVDHE-IBGZPJMESA-N 1 3 362.514 2.502 40 0 FFABHO Cn1cc(CN2CCC3(CC2)C[N@@H+]([C@@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242587 222097553 /nfs/dbraw/zinc/09/75/53/222097553.db2.gz VKXNZCBAGFQDDD-HXUWFJFHSA-N 1 3 366.509 2.558 40 0 FFABHO Cn1cc(CN2CCC3(CC2)C[N@H+]([C@@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242587 222097558 /nfs/dbraw/zinc/09/75/58/222097558.db2.gz VKXNZCBAGFQDDD-HXUWFJFHSA-N 1 3 366.509 2.558 40 0 FFABHO COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103650 518539713 /nfs/dbraw/zinc/53/97/13/518539713.db2.gz QNBLTZZIQJAUDW-FQEVSTJZSA-N 1 3 362.514 2.867 40 0 FFABHO COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103650 518539718 /nfs/dbraw/zinc/53/97/18/518539718.db2.gz QNBLTZZIQJAUDW-FQEVSTJZSA-N 1 3 362.514 2.867 40 0 FFABHO c1ccc2c(c1)CN([C@H]1CCOC1)CC21CC[NH+](C2CCOCC2)CC1 ZINC000096242480 222097134 /nfs/dbraw/zinc/09/71/34/222097134.db2.gz VAFOVKOHHWDUNG-FQEVSTJZSA-N 1 3 356.510 2.804 40 0 FFABHO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccco1)CC3 ZINC000096036297 508203026 /nfs/dbraw/zinc/20/30/26/508203026.db2.gz UFTZYPRAWPGDLA-SIKLNZKXSA-N 1 3 371.525 2.826 40 0 FFABHO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccco1)CC3 ZINC000096036297 508203028 /nfs/dbraw/zinc/20/30/28/508203028.db2.gz UFTZYPRAWPGDLA-SIKLNZKXSA-N 1 3 371.525 2.826 40 0 FFABHO CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@H]12 ZINC000306137240 528027791 /nfs/dbraw/zinc/02/77/91/528027791.db2.gz QQGDDJKWMDRCED-UNMCSNQZSA-N 1 3 357.542 2.839 40 0 FFABHO CC(C)C[N@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CCN(C)C)C[C@H]12 ZINC000306137240 528027793 /nfs/dbraw/zinc/02/77/93/528027793.db2.gz QQGDDJKWMDRCED-UNMCSNQZSA-N 1 3 357.542 2.839 40 0 FFABHO