smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000019634642 342952876 /nfs/dbraw/zinc/95/28/76/342952876.db2.gz BJJBVQAWVRUBKV-GJZGRUSLSA-N 1 0 248.414 2.616 1 0 BFAFRO C[C@H]1[NH2+][C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]12 ZINC000027210926 187255424 /nfs/dbraw/zinc/25/54/24/187255424.db2.gz FMBYQEIJDWNYNT-FMPGBIOOSA-N 1 0 228.339 2.815 1 0 BFAFRO CC(=[NH2+])Nc1ccc(-c2csc(N)n2)cc1 ZINC000026726632 187255018 /nfs/dbraw/zinc/25/50/18/187255018.db2.gz JVLVVMCRAZSANQ-UHFFFAOYSA-N 1 0 232.312 2.801 1 0 BFAFRO Cc1cccc2c1c1c(n2C)CC[C@H]([NH+](C)C)C1 ZINC000039214089 179225337 /nfs/dbraw/zinc/22/53/37/179225337.db2.gz WGORUJLQAFXUII-LBPRGKRZSA-N 1 0 242.366 2.906 1 0 BFAFRO Cc1nc2cc3c(cc2s1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028526247 180087106 /nfs/dbraw/zinc/08/71/06/180087106.db2.gz HPWMUPCSPGRYGY-DTWKUNHWSA-N 1 0 230.336 2.779 1 0 BFAFRO Clc1ccc2c(n1)CC[C@H]1[C@H]2[C@H]2CC[C@@H]1[NH2+]2 ZINC000169342173 180587881 /nfs/dbraw/zinc/58/78/81/180587881.db2.gz YFIIBDQLLAQNAF-DKRZYWPISA-N 1 0 234.730 2.515 1 0 BFAFRO FC(F)(F)[C@@H]1C=CC=C([C@H]2CC[NH2+]C2)C1 ZINC000026499430 180888666 /nfs/dbraw/zinc/88/86/66/180888666.db2.gz GTXIQJYCGBFZND-VHSXEESVSA-N 1 0 217.234 2.661 1 0 BFAFRO FC(F)(F)[C@H]1C=CC=C([C@H]2CC[NH2+]C2)C1 ZINC000026499427 180890156 /nfs/dbraw/zinc/89/01/56/180890156.db2.gz GTXIQJYCGBFZND-UWVGGRQHSA-N 1 0 217.234 2.661 1 0 BFAFRO CCC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@@H]21 ZINC000026261743 188282633 /nfs/dbraw/zinc/28/26/33/188282633.db2.gz ZXASUIFTYKJPOW-UMVBOHGHSA-N 1 0 246.374 2.575 1 0 BFAFRO NC(=[NH2+])Nc1ccc(Nc2ccccc2)cc1 ZINC000029133785 181191337 /nfs/dbraw/zinc/19/13/37/181191337.db2.gz UCJKFCYHSPBHPM-UHFFFAOYSA-N 1 0 226.283 2.736 1 0 BFAFRO [NH3+][C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@]1(O)c1ccccc1 ZINC000017104543 181599266 /nfs/dbraw/zinc/59/92/66/181599266.db2.gz QPSHWOZTWDCKIJ-SJXGUFTOSA-N 1 0 245.366 2.802 3 0 BFAFRO CCCC[NH2+][C@H]1CCc2ccc(O)cc2C1 ZINC000028865188 168877801 /nfs/dbraw/zinc/87/78/01/168877801.db2.gz DQNYYQHCWYAOPC-ZDUSSCGKSA-N 1 0 219.328 2.639 1 0 BFAFRO CCCC[C@H]1[C@@H](O)CCC[C@@]12CCCC[NH2+]2 ZINC000028005285 169015111 /nfs/dbraw/zinc/01/51/11/169015111.db2.gz YJEQGBHTTODACM-IHRRRGAJSA-N 1 0 225.376 2.850 1 0 BFAFRO CCC[NH+](CCC)[C@@H]1Cc2ccc(O)cc2C1 ZINC000013471352 169150887 /nfs/dbraw/zinc/15/08/87/169150887.db2.gz CGVTXQCPDIZHAI-CQSZACIVSA-N 1 0 233.355 2.981 1 0 BFAFRO Oc1ccc2c(c1)[C@H](c1ccccc1)C[NH2+]CC2 ZINC000012355930 183283620 /nfs/dbraw/zinc/28/36/20/183283620.db2.gz SNXWZKKKYZCZRK-INIZCTEOSA-N 1 0 239.318 2.670 1 0 BFAFRO CCC[N@@H+]1CCC[C@H]2c3cccnc3CC[C@H]21 ZINC000026005410 169201932 /nfs/dbraw/zinc/20/19/32/169201932.db2.gz UEHJPVCNGHZHGZ-DZGCQCFKSA-N 1 0 230.355 2.986 1 0 BFAFRO CCC[N@@H+]1CC[C@H]2c3cccc(O)c3CC[C@@H]21 ZINC000013826537 169207893 /nfs/dbraw/zinc/20/78/93/169207893.db2.gz SHOJVFLWKSRVPH-JSGCOSHPSA-N 1 0 231.339 2.906 1 0 BFAFRO CCC[N@H+]1CCc2cc3ccccc3n2CC1 ZINC000013535380 169209199 /nfs/dbraw/zinc/20/91/99/169209199.db2.gz JYGINDGSAFNALQ-UHFFFAOYSA-N 1 0 228.339 2.909 1 0 BFAFRO c1nc(CNc2ccccc2-c2cnco2)c[nH]1 ZINC000013860600 183381222 /nfs/dbraw/zinc/38/12/22/183381222.db2.gz XHSSQAAKENOPTK-UHFFFAOYSA-N 1 0 240.266 2.677 1 0 BFAFRO CC(C)[NH2+][C@H]1CCCC[C@H]2c3ccccc3[C@]21O ZINC000017220262 167139662 /nfs/dbraw/zinc/13/96/62/167139662.db2.gz JYLTYLGMYCSVSD-JYJNAYRXSA-N 1 0 245.366 2.912 1 0 BFAFRO CCC(C)(C)c1ccc2[nH+]c(N)nc(N)c2c1C ZINC000045187484 168305911 /nfs/dbraw/zinc/30/59/11/168305911.db2.gz RDWLWJCQLPKJGH-UHFFFAOYSA-N 1 0 244.342 2.790 1 0 BFAFRO CCc1cnc2cc3c(cc2c1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028527965 171920264 /nfs/dbraw/zinc/92/02/64/171920264.db2.gz RAGYLUOTYIODHC-OLZOCXBDSA-N 1 0 238.334 2.971 1 0 BFAFRO C[NH+](C)CCCc1c[nH]c2ccc(F)cc12 ZINC000013673546 172445445 /nfs/dbraw/zinc/44/54/45/172445445.db2.gz UFBLPBWRPPLNJN-UHFFFAOYSA-N 1 0 220.291 2.801 1 0 BFAFRO Cn1c2ccccc2c2c1CC[C@@H]([NH+](C)C)C2 ZINC000039111109 172530729 /nfs/dbraw/zinc/53/07/29/172530729.db2.gz WQQXUUBWAWEKMM-LLVKDONJSA-N 1 0 228.339 2.597 1 0 BFAFRO C[N@@H+]1CCc2c3c(ccc2Cl)CC[C@H]3C1 ZINC000027713545 173167256 /nfs/dbraw/zinc/16/72/56/173167256.db2.gz HSVQHQJUIUIWCQ-JTQLQIEISA-N 1 0 221.731 2.858 1 0 BFAFRO C[N@@H+]1CCc2ccc(Cl)c3c2[C@@H](CC3)C1 ZINC000027712442 173172394 /nfs/dbraw/zinc/17/23/94/173172394.db2.gz HDFJHMACFRDUNC-JTQLQIEISA-N 1 0 221.731 2.858 1 0 BFAFRO C[NH2+][C@]12CCCC[C@@H]1Cc1cc(OC)ccc12 ZINC000027742080 173470666 /nfs/dbraw/zinc/47/06/66/173470666.db2.gz OZGFUUQXLIIVPN-IUODEOHRSA-N 1 0 231.339 2.856 1 0 BFAFRO COc1cc2c(cc1Cl)[C@@H](C)C[NH2+]CC2 ZINC000028136027 175022453 /nfs/dbraw/zinc/02/24/53/175022453.db2.gz SJJIKXOJEDKQRJ-QMMMGPOBSA-N 1 0 225.719 2.598 1 0 BFAFRO COc1ccc2c(c1)CCC[C@]21CC[N@H+](C)C1 ZINC000027736222 175208470 /nfs/dbraw/zinc/20/84/70/175208470.db2.gz DQDBBLKLJQIXFD-OAHLLOKOSA-N 1 0 231.339 2.605 1 0 BFAFRO COc1ccc2c(c1)[C@@]1([NH3+])CCCC[C@@H]1CC2 ZINC000026150101 175215039 /nfs/dbraw/zinc/21/50/39/175215039.db2.gz IDMWBLWTWIEBSD-IUODEOHRSA-N 1 0 231.339 2.986 1 0 BFAFRO COc1ccc2c(c1)[C@H]1C[C@@H]2[N@@H+](C)CCC1 ZINC000027523981 175215320 /nfs/dbraw/zinc/21/53/20/175215320.db2.gz INLXGNMYXKPYGX-YGRLFVJLSA-N 1 0 217.312 2.949 1 0 BFAFRO COc1ccc2c(c1)[C@@]1([NH3+])CCCC[C@H]1CC2 ZINC000013831972 175215353 /nfs/dbraw/zinc/21/53/53/175215353.db2.gz IDMWBLWTWIEBSD-SWLSCSKDSA-N 1 0 231.339 2.986 1 0 BFAFRO COc1ccc2c(c1)[C@]1([NH3+])CC=CC[C@H]1CC2 ZINC000026150077 175216814 /nfs/dbraw/zinc/21/68/14/175216814.db2.gz QBQJGSVGTBUOKQ-WFASDCNBSA-N 1 0 229.323 2.762 1 0 BFAFRO C[C@@]1(C[C@H]2C[NH+]=CN2)CCc2ccccc2C1 ZINC000013862145 176534853 /nfs/dbraw/zinc/53/48/53/176534853.db2.gz FSAVOJFESJPQEK-LSDHHAIUSA-N 1 0 228.339 2.572 1 0 BFAFRO C[C@H]1C[C@]2(C)C[C@@H](Cc3ccccc32)[N@@H+]1C ZINC000029477297 177387811 /nfs/dbraw/zinc/38/78/11/177387811.db2.gz UUIHLUKORNVGJW-NJZAAPMLSA-N 1 0 215.340 2.983 1 0 BFAFRO Cc1cc(Cl)ncc1[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000028864743 178072723 /nfs/dbraw/zinc/07/27/23/178072723.db2.gz OGHPAVPNKPGGDV-KKZNHRDASA-N 1 0 222.719 2.651 1 0 BFAFRO Cc1cc(Cl)ncc1[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000028864740 178072851 /nfs/dbraw/zinc/07/28/51/178072851.db2.gz OGHPAVPNKPGGDV-YWVKMMECSA-N 1 0 222.719 2.651 1 0 BFAFRO C[C@H]1[NH2+][C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@H]12 ZINC000027210922 187255050 /nfs/dbraw/zinc/25/50/50/187255050.db2.gz FMBYQEIJDWNYNT-PGZHFOILSA-N 1 0 228.339 2.815 1 0 BFAFRO Clc1ccc(C2=C[C@@H]3CC[C@H](C2)[NH2+]3)cn1 ZINC000027638909 187255504 /nfs/dbraw/zinc/25/55/04/187255504.db2.gz XBTJJUGPWLAITG-WDEREUQCSA-N 1 0 220.703 2.643 1 0 BFAFRO COc1ccc([C@H](O)[C@H](C)[NH2+]C(C)(C)C)cc1 ZINC000027657315 187255905 /nfs/dbraw/zinc/25/59/05/187255905.db2.gz SHSXBVACJZCTAK-GXFFZTMASA-N 1 0 237.343 2.505 1 0 BFAFRO COc1cc(O)c(C)c2cc(C)[nH+]cc12 ZINC000096927966 188321982 /nfs/dbraw/zinc/32/19/82/188321982.db2.gz UBELMBVSZFQTKZ-UHFFFAOYSA-N 1 0 203.241 2.566 1 0 BFAFRO CCCCC[C@@H]1[NH+]=C(N)C[C@@H]1C(F)(F)F ZINC000013781182 168742206 /nfs/dbraw/zinc/74/22/06/168742206.db2.gz PZGNHZIXEYPIPG-YUMQZZPRSA-N 1 0 222.254 2.875 1 0 BFAFRO CCCC[NH2+][C@H]1CCc2cccc(OC)c2C1 ZINC000028865162 168877640 /nfs/dbraw/zinc/87/76/40/168877640.db2.gz ZJZXYYXRWZKMGX-ZDUSSCGKSA-N 1 0 233.355 2.942 1 0 BFAFRO CCC[NH+](CCC)[C@H]1Cc2cc(O)cc(O)c2C1 ZINC000040504241 169152359 /nfs/dbraw/zinc/15/23/59/169152359.db2.gz SBCBZNIMFWSCIN-LBPRGKRZSA-N 1 0 249.354 2.687 1 0 BFAFRO CCC[N@H+](CC)[C@H]1CCc2cccc(O)c2C1 ZINC000027561410 169131035 /nfs/dbraw/zinc/13/10/35/169131035.db2.gz RXIVPHXKBOPSJF-ZDUSSCGKSA-N 1 0 233.355 2.981 1 0 BFAFRO CCC[NH+](CCC)[C@H]1Cc2ccc(O)cc2C1 ZINC000013471353 169152218 /nfs/dbraw/zinc/15/22/18/169152218.db2.gz CGVTXQCPDIZHAI-AWEZNQCLSA-N 1 0 233.355 2.981 1 0 BFAFRO Oc1cccc([C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000029235412 183294250 /nfs/dbraw/zinc/29/42/50/183294250.db2.gz WIAHJEMHRGPIPV-OAHLLOKOSA-N 1 0 225.291 2.627 1 0 BFAFRO Oc1cccc2c1-c1cccc3c1[C@@H](C2)[NH2+]CC3 ZINC000003651666 183294352 /nfs/dbraw/zinc/29/43/52/183294352.db2.gz MHKSWTAPYIFAAP-CYBMUJFWSA-N 1 0 237.302 2.802 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3cc(O)ccc3OC[C@H]21 ZINC000027849129 169191030 /nfs/dbraw/zinc/19/10/30/169191030.db2.gz GOAIESIEBXUUKO-CQSZACIVSA-N 1 0 245.322 2.652 1 0 BFAFRO CCC[N@@H+]1CCC=C(c2csc(C)n2)C1 ZINC000026848298 169191839 /nfs/dbraw/zinc/19/18/39/169191839.db2.gz MQLUFBOCYMRCRW-UHFFFAOYSA-N 1 0 222.357 2.951 1 0 BFAFRO CCC[N@@H+]1CCO[C@H]2c3ccccc3CC[C@H]21 ZINC000029392759 169204559 /nfs/dbraw/zinc/20/45/59/169204559.db2.gz AWZLBZREVQLYFE-CABCVRRESA-N 1 0 231.339 2.785 1 0 BFAFRO CCCOc1ccccc1[C@H]1C[C@@H]1C[NH3+] ZINC000084619868 169328287 /nfs/dbraw/zinc/32/82/87/169328287.db2.gz JDQIWSOTVZXUAJ-PWSUYJOCSA-N 1 0 205.301 2.538 1 0 BFAFRO CC(C)[NH2+][C@@H]1CCCC[C@@H]2c3ccccc3[C@]21O ZINC000017220254 167133896 /nfs/dbraw/zinc/13/38/96/167133896.db2.gz JYLTYLGMYCSVSD-OAGGEKHMSA-N 1 0 245.366 2.912 1 0 BFAFRO CCNC1=[NH+]CCC2(CCCCC2)S1 ZINC000082052279 170108690 /nfs/dbraw/zinc/10/86/90/170108690.db2.gz NFYHDIQLTXCTJM-UHFFFAOYSA-N 1 0 212.362 2.792 1 0 BFAFRO CCn1c2ccccc2c2cc[n+](C)cc21 ZINC000049784922 172149442 /nfs/dbraw/zinc/14/94/42/172149442.db2.gz UYPDJRFFVNWZQV-UHFFFAOYSA-N 1 0 211.288 2.639 1 0 in-vivo BFAFRO CN(C)C1=[NH+]CCN1CCCC1CCCCC1 ZINC000036386689 172405448 /nfs/dbraw/zinc/40/54/48/172405448.db2.gz OXWGNSJBXVEFBJ-UHFFFAOYSA-N 1 0 237.391 2.580 3 0 BFAFRO C[N@@H+]1CCCC[C@H]1CC(=O)c1cccs1 ZINC000013554217 173007925 /nfs/dbraw/zinc/00/79/25/173007925.db2.gz KNONMNIXSVWCFB-JTQLQIEISA-N 1 0 223.341 2.805 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@@H]1CCc2cccc(O)c2O1 ZINC000013471340 173009582 /nfs/dbraw/zinc/00/95/82/173009582.db2.gz JCNVDCJZLABBNW-JSGCOSHPSA-N 1 0 247.338 2.570 1 0 BFAFRO C[NH+]1CCN(c2csc3ccccc23)CC1 ZINC000045391871 173095546 /nfs/dbraw/zinc/09/55/46/173095546.db2.gz SGLAESRRTXGXDR-UHFFFAOYSA-N 1 0 232.352 2.653 1 0 BFAFRO CN1C[C@@H](c2ccc(Cl)c(Cl)c2)OC1=[NH2+] ZINC000045168284 173188755 /nfs/dbraw/zinc/18/87/55/173188755.db2.gz FIVVQLCWEXBXAM-VIFPVBQESA-N 1 0 245.109 2.931 1 0 BFAFRO CN1C[C@H](c2ccc(Cl)c(Cl)c2)OC1=[NH2+] ZINC000045168281 173196536 /nfs/dbraw/zinc/19/65/36/173196536.db2.gz FIVVQLCWEXBXAM-SECBINFHSA-N 1 0 245.109 2.931 1 0 BFAFRO C[NH2+]Cc1ccc(-c2nn(C)c3ccccc32)o1 ZINC000073198548 173387880 /nfs/dbraw/zinc/38/78/80/173387880.db2.gz JVWUJLHXHXHUDJ-UHFFFAOYSA-N 1 0 241.294 2.553 1 0 BFAFRO COc1cc2c(cc1OC)[C@@H]([NH+](C)C)C(C)=C2 ZINC000169318018 175025151 /nfs/dbraw/zinc/02/51/51/175025151.db2.gz JHGCVNLHWVXBIZ-AWEZNQCLSA-N 1 0 233.311 2.723 1 0 BFAFRO COc1ccc(NC=C2C=CC=[NH+]2)cc1 ZINC000103918566 175138347 /nfs/dbraw/zinc/13/83/47/175138347.db2.gz JUGQSNQQFZZWTJ-LUAWRHEFSA-N 1 0 200.241 2.589 3 0 BFAFRO COc1ccc2c(c1)[C@@H]1CC[N@@H+](C)C[C@@H]1CC2 ZINC000013455424 175215758 /nfs/dbraw/zinc/21/57/58/175215758.db2.gz FEUJDFQHFVSOTK-GXTWGEPZSA-N 1 0 231.339 2.677 1 0 BFAFRO C[C@@H]1c2ccccc2NC(=O)N1CCC[NH+](C)C ZINC000013553549 176505646 /nfs/dbraw/zinc/50/56/46/176505646.db2.gz GRLWYANVXMOQSP-LLVKDONJSA-N 1 0 247.342 2.547 1 0 BFAFRO C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC1CCC1 ZINC000015924710 177281651 /nfs/dbraw/zinc/28/16/51/177281651.db2.gz CDTLTXRTKJOKAW-LBPRGKRZSA-N 1 0 243.354 2.959 3 0 BFAFRO C[n+]1ccc(-c2cccc(Cl)c2)cc1 ZINC000029135417 177500793 /nfs/dbraw/zinc/50/07/93/177500793.db2.gz IVHUXZMSMHJSMX-UHFFFAOYSA-N 1 0 204.680 2.832 1 0 BFAFRO CCC=CC1=C2NC(=[NH2+])N[C@H]3CC[C@@H](C[C@@H]1C)[C@@H]23 ZINC000039122037 187263578 /nfs/dbraw/zinc/26/35/78/187263578.db2.gz YSZQKSLEUOCOPD-GWZQUTHXSA-N 1 0 245.370 2.559 1 0 BFAFRO Cc1cccc2c1c1c(n2C)CC[C@@H]([NH+](C)C)C1 ZINC000039214090 179225450 /nfs/dbraw/zinc/22/54/50/179225450.db2.gz WGORUJLQAFXUII-GFCCVEGCSA-N 1 0 242.366 2.906 1 0 BFAFRO CCC[n+]1cccc2c1CC[C@H]1C[C@H](O)CC[C@H]21 ZINC000026277045 188282886 /nfs/dbraw/zinc/28/28/86/188282886.db2.gz JBJOLGADJZFNKD-MJBXVCDLSA-N 1 0 246.374 2.575 1 0 BFAFRO NC1=[NH+][C@H](Cc2ccccc2)[C@@H](C(F)(F)F)C1 ZINC000027199820 181338662 /nfs/dbraw/zinc/33/86/62/181338662.db2.gz UQPONPWAJJACRG-VHSXEESVSA-N 1 0 242.244 2.537 1 0 BFAFRO Oc1ccc2c(c1)[C@@H](c1ccccc1)C[NH2+]CC2 ZINC000012355932 183281682 /nfs/dbraw/zinc/28/16/82/183281682.db2.gz SNXWZKKKYZCZRK-MRXNPFEDSA-N 1 0 239.318 2.670 1 0 BFAFRO CCC[NH+](CCC)CCc1ccc2n[nH]nc2c1 ZINC000027328159 169147418 /nfs/dbraw/zinc/14/74/18/169147418.db2.gz FDQPYJACWKLJIS-UHFFFAOYSA-N 1 0 246.358 2.622 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21 ZINC000000004090 169198017 /nfs/dbraw/zinc/19/80/17/169198017.db2.gz GSLWRDKYYIQKIM-TZMCWYRMSA-N 1 0 247.338 2.743 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3ccc(O)cc3OC[C@H]21 ZINC000027850541 169198286 /nfs/dbraw/zinc/19/82/86/169198286.db2.gz CQEATFKLDYHKCI-TZMCWYRMSA-N 1 0 247.338 2.743 1 0 BFAFRO CCC[N@@H+]1CCC[C@H]2Cc3cccc(O)c3C[C@@H]21 ZINC000013819981 169201650 /nfs/dbraw/zinc/20/16/50/169201650.db2.gz FBOFPTJPVFSAHF-ZFWWWQNUSA-N 1 0 245.366 2.981 1 0 BFAFRO c1cc2c(cn1)[C@@H]([NH+]1CCCC1)CCC2 ZINC000027188190 183371480 /nfs/dbraw/zinc/37/14/80/183371480.db2.gz DXAMZDNYFBNONX-ZDUSSCGKSA-N 1 0 202.301 2.555 1 0 BFAFRO c1ccc(C[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000037623994 183411502 /nfs/dbraw/zinc/41/15/02/183411502.db2.gz YWLRVKNQQQOFJH-AWEZNQCLSA-N 1 0 201.313 2.571 1 0 BFAFRO Cc1cc(-c2ccccc2)cc2[n+]1CC=C2 ZINC000001616890 177686128 /nfs/dbraw/zinc/68/61/28/177686128.db2.gz DOLMKMXAOOHSSP-UHFFFAOYSA-N 1 0 208.284 2.976 1 0 BFAFRO CC(C)Oc1cccc(OC(C)C)c1C[NH3+] ZINC000103267468 167307212 /nfs/dbraw/zinc/30/72/12/167307212.db2.gz IQLJYRVOZQERBH-UHFFFAOYSA-N 1 0 223.316 2.720 1 0 BFAFRO CC[NH2+][C@H]1CCc2c(OC)ccc(Cl)c2C1 ZINC000029213629 170168503 /nfs/dbraw/zinc/16/85/03/170168503.db2.gz WAPNCIRBPQRYGU-VIFPVBQESA-N 1 0 239.746 2.815 1 0 BFAFRO CC[C@@]1(c2ccccc2)OCC[C@@H](CC[NH2+]C)O1 ZINC000071281712 171217224 /nfs/dbraw/zinc/21/72/24/171217224.db2.gz HMAADEFXIZTOAG-HUUCEWRRSA-N 1 0 249.354 2.664 1 0 BFAFRO C[NH+](C)C[C@H]1C[C@H]1c1cnc2ccccc2c1 ZINC000028960133 172499544 /nfs/dbraw/zinc/49/95/44/172499544.db2.gz IRSPOVOLBHRLDQ-KGLIPLIRSA-N 1 0 226.323 2.900 1 0 BFAFRO C[N@@H+]1CCC[C@H]1Cc1c[nH]c2cc(O)ccc12 ZINC000027419380 173058449 /nfs/dbraw/zinc/05/84/49/173058449.db2.gz FQBIMXGNFGCBJM-NSHDSACASA-N 1 0 230.311 2.510 1 0 BFAFRO C[N@@H+]1CCC[C@H]2C[C@@H]1c1ccc(O)cc12 ZINC000027523413 173059146 /nfs/dbraw/zinc/05/91/46/173059146.db2.gz CZSRYFBAUSBQRZ-TVQRCGJNSA-N 1 0 203.285 2.646 1 0 BFAFRO C[N@@H+]1C[C@@H]2c3c(N)cccc3[C@H]1[C@H]1C=CC[C@H]12 ZINC000027209847 173190005 /nfs/dbraw/zinc/19/00/05/173190005.db2.gz KQEBFIGSBWGPFB-GOMXZESMSA-N 1 0 226.323 2.545 1 0 BFAFRO COc1ccc(C)c2c1OC[C@@H]1[C@@H]2CCC[N@@H+]1C ZINC000027853675 175070390 /nfs/dbraw/zinc/07/03/90/175070390.db2.gz RPENLLADCXGWAG-NWDGAFQWSA-N 1 0 247.338 2.574 1 0 BFAFRO COc1ccc2c(c1)CC1(CCCCC1)[N+](=O)C2 ZINC000034279482 175208019 /nfs/dbraw/zinc/20/80/19/175208019.db2.gz OHGXCDCEUCQCQZ-UHFFFAOYSA-N 1 0 245.322 2.883 1 0 BFAFRO COc1cccc(C(=O)[C@@H](C)[NH2+]C2CCCC2)c1 ZINC000045339554 175247182 /nfs/dbraw/zinc/24/71/82/175247182.db2.gz ZMRXSORFBXMBCB-LLVKDONJSA-N 1 0 247.338 2.799 1 0 in-vivo BFAFRO COc1cccc([C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C[NH3+])c1 ZINC000027997828 175291611 /nfs/dbraw/zinc/29/16/11/175291611.db2.gz LHKRTBGXNVJRCO-FDEJFUCISA-N 1 0 231.339 2.784 1 0 BFAFRO COc1cccc([C@]23CCC[C@H]2C[N@H+](C)C3)c1 ZINC000072141362 175297594 /nfs/dbraw/zinc/29/75/94/175297594.db2.gz ZUYOKFFWVNAACC-DZGCQCFKSA-N 1 0 231.339 2.679 1 0 BFAFRO COc1ccccc1[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C[NH3+] ZINC000027993732 175349786 /nfs/dbraw/zinc/34/97/86/175349786.db2.gz TWQYJZHCEIXHSD-YODMDTAWSA-N 1 0 231.339 2.784 1 0 BFAFRO C[C@]12[NH2+][C@H]([C@@H]3CCCC[C@@H]31)[C@H](O)c1ccccc12 ZINC000025996197 176550427 /nfs/dbraw/zinc/55/04/27/176550427.db2.gz QUUVVNAADCNVJY-PIVDIINCSA-N 1 0 243.350 2.727 1 0 BFAFRO C[C@H]1CCC[N@@H+]1CCc1ccc(N(C)C)cc1 ZINC000029131442 177109491 /nfs/dbraw/zinc/10/94/91/177109491.db2.gz KKFGTYGYVFMBON-ZDUSSCGKSA-N 1 0 232.371 2.779 1 0 BFAFRO C[C@H]1C[C@H]2CC(=O)[C@@H]3CCC[N@@H+]4CCC[C@@H]2[C@]34C1 ZINC000009214630 177387504 /nfs/dbraw/zinc/38/75/04/177387504.db2.gz BCZFSDNVXODRAJ-SMSYFYOWSA-N 1 0 247.382 2.866 1 0 BFAFRO Clc1ccc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)cn1 ZINC000095577990 187288075 /nfs/dbraw/zinc/28/80/75/187288075.db2.gz QCSSDCOJCQOKNU-VHSXEESVSA-N 1 0 234.730 2.748 1 0 BFAFRO Cc1cccc2c3c([nH]c21)CC[C@H]([NH+](C)C)C3 ZINC000039214016 179225726 /nfs/dbraw/zinc/22/57/26/179225726.db2.gz VTKSFSHZTLGDDB-NSHDSACASA-N 1 0 228.339 2.895 1 0 BFAFRO Clc1cccc([C@H]2CC=CC[NH2+]C2)c1 ZINC000095585404 180591796 /nfs/dbraw/zinc/59/17/96/180591796.db2.gz NWTJKIVXQLVNCQ-NSHDSACASA-N 1 0 207.704 2.973 1 0 BFAFRO Clc1cccc2c1C[C@@H](C[C@@H]1C[NH+]=CN1)CC2 ZINC000013862093 180592858 /nfs/dbraw/zinc/59/28/58/180592858.db2.gz BMPZSZPBZNKNFC-ZYHUDNBSSA-N 1 0 248.757 2.835 1 0 BFAFRO Clc1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1 ZINC000095577101 180599059 /nfs/dbraw/zinc/59/90/59/180599059.db2.gz PQBYYZBQJKBZMS-ZJUUUORDSA-N 1 0 234.730 2.748 1 0 BFAFRO Cn1c2ccccc2[n+](C)c1-c1ccc(F)cc1 ZINC000000041836 180606221 /nfs/dbraw/zinc/60/62/21/180606221.db2.gz XPMYMRDFXSYSLB-UHFFFAOYSA-N 1 0 241.289 2.809 1 0 BFAFRO C=Cc1c2[nH]c3ccccc3c2c(OC)c[n+]1C ZINC000029404812 187938053 /nfs/dbraw/zinc/93/80/53/187938053.db2.gz HALDMLPSECSTJQ-UHFFFAOYSA-O 1 0 239.298 2.797 1 0 BFAFRO c1csc(OC2=CC=[N+](C3CC3)CC2)c1 ZINC000027192857 188282756 /nfs/dbraw/zinc/28/27/56/188282756.db2.gz GKRMRASLKWZZSR-UHFFFAOYSA-N 1 0 220.317 2.660 1 0 BFAFRO CC1(C)Cc2ccc(Cl)cc2C[N+]1=O ZINC000034505542 188284644 /nfs/dbraw/zinc/28/46/44/188284644.db2.gz APSPUOAPCKRHNP-UHFFFAOYSA-N 1 0 209.676 2.604 1 0 BFAFRO Fc1cccc(Cl)c1[C@@H]1CC2=[NH+]CCN2C1 ZINC000006091689 181000102 /nfs/dbraw/zinc/00/01/02/181000102.db2.gz VDDKWLCHDOJXJM-MRVPVSSYSA-N 1 0 238.693 2.681 1 0 BFAFRO O[C@@H]1C[C@H](c2ccco2)[NH2+]C2(CCCCC2)C1 ZINC000000335496 183211520 /nfs/dbraw/zinc/21/15/20/183211520.db2.gz AIQYSLMWCIICFG-VXGBXAGGSA-N 1 0 235.327 2.768 3 0 BFAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccn2C=O)C1 ZINC000013642192 169151028 /nfs/dbraw/zinc/15/10/28/169151028.db2.gz XTKNAIQXSUEZPU-CQSZACIVSA-N 1 0 248.370 2.506 1 0 BFAFRO CCC[NH+](CCC)C1Cc2c(c(O)ccc2O)C1 ZINC000040639411 169147674 /nfs/dbraw/zinc/14/76/74/169147674.db2.gz KNDYTNKMAQPJGK-UHFFFAOYSA-N 1 0 249.354 2.687 1 0 BFAFRO Oc1cccc2c1CC[C@]21[NH2+]Cc2ccccc21 ZINC000027657080 183296876 /nfs/dbraw/zinc/29/68/76/183296876.db2.gz BKLZCDDYMWJJMH-MRXNPFEDSA-N 1 0 237.302 2.685 1 0 BFAFRO CCC[N@@H+]1CC[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000000022864 169206630 /nfs/dbraw/zinc/20/66/30/169206630.db2.gz LJDRQPOQHHOXHM-UKRRQHHQSA-N 1 0 231.339 2.906 1 0 BFAFRO CC(C)(C)[NH2+][C@@H]1[C@H](O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000031900233 166637704 /nfs/dbraw/zinc/63/77/04/166637704.db2.gz VBIQESJEDOKYKY-AYGWYOGXSA-N 1 0 225.376 2.560 1 0 BFAFRO Clc1cccc(N2CC[NH+](C3CC3)CC2)c1 ZINC000028763053 132334352 /nfs/dbraw/zinc/33/43/52/132334352.db2.gz TVIIMFPRIPBSLZ-UHFFFAOYSA-N 1 0 236.746 2.624 1 0 BFAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@H](CO)C1)=CC2 ZINC000000217781 168009598 /nfs/dbraw/zinc/00/95/98/168009598.db2.gz PDCQVXFZCJZERL-QEJZJMRPSA-N 1 0 249.398 2.683 1 0 BFAFRO CC1(C[NH3+])c2ccccc2Cc2ccccc21 ZINC000013473109 168024943 /nfs/dbraw/zinc/02/49/43/168024943.db2.gz MUKXLBPADGZYIK-UHFFFAOYSA-N 1 0 223.319 2.856 1 0 BFAFRO CC1=C[C@@H]2c3ccccc3CC[C@H]2[N@H+](C)C1 ZINC000027889133 168126649 /nfs/dbraw/zinc/12/66/49/168126649.db2.gz ZUMIIVFYBVDSAZ-HUUCEWRRSA-N 1 0 213.324 2.977 1 0 BFAFRO CCN1c2ccccc2[C@@]2(CC)CC[N@@H+](C)[C@@H]12 ZINC000058520108 170041424 /nfs/dbraw/zinc/04/14/24/170041424.db2.gz OSITUDRHKICEAS-LSDHHAIUSA-N 1 0 230.355 2.836 1 0 BFAFRO CCN1c2ccccc2[C@]2(CC)CC[N@@H+](C)[C@H]12 ZINC000040846319 170041904 /nfs/dbraw/zinc/04/19/04/170041904.db2.gz OSITUDRHKICEAS-CABCVRRESA-N 1 0 230.355 2.836 1 0 BFAFRO C[NH+](C)C[C@H]1C[C@H]1c1cncc2ccccc21 ZINC000028960188 172498626 /nfs/dbraw/zinc/49/86/26/172498626.db2.gz LOCUTCDCZZSFNM-TZMCWYRMSA-N 1 0 226.323 2.900 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@H]1CCc2ccc(O)cc2O1 ZINC000013471330 173009333 /nfs/dbraw/zinc/00/93/33/173009333.db2.gz BWEKAFCCTNIBFD-UONOGXRCSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1C[C@H]2CC(c3ccc(F)nc3)=C[C@H](C2)C1 ZINC000169294394 173189015 /nfs/dbraw/zinc/18/90/15/173189015.db2.gz GITHBFKKVBHLFE-WDEREUQCSA-N 1 0 232.302 2.576 1 0 BFAFRO C[N@H+]1[C@H]2C=C(c3ccc(Cl)cn3)C[C@@H]1CC2 ZINC000027653467 173207117 /nfs/dbraw/zinc/20/71/17/173207117.db2.gz MHYACAYHOKNGQE-NEPJUHHUSA-N 1 0 234.730 2.985 1 0 BFAFRO C[NH2+][C@@H](Cc1ccc2c(c1)OCO2)C(C)(C)C ZINC000139089140 173426148 /nfs/dbraw/zinc/42/61/48/173426148.db2.gz YBMARPZCTRNEOC-ZDUSSCGKSA-N 1 0 235.327 2.592 1 0 BFAFRO COc1ccc2c(c1)[C@]1(CC[N@H+](C)C1)CCC2 ZINC000027733662 175215340 /nfs/dbraw/zinc/21/53/40/175215340.db2.gz WAGQXNPXOFBRMT-HNNXBMFYSA-N 1 0 231.339 2.605 1 0 BFAFRO C[C@@H]1[NH2+][C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]12 ZINC000027207536 176462829 /nfs/dbraw/zinc/46/28/29/176462829.db2.gz FMBYQEIJDWNYNT-BLHPFNGSSA-N 1 0 228.339 2.815 1 0 BFAFRO C[C@H]1CCc2cc(F)cc3c(CC[NH3+])cn1c32 ZINC000004638322 177209505 /nfs/dbraw/zinc/20/95/05/177209505.db2.gz IMICWWRDHASRGJ-VIFPVBQESA-N 1 0 232.302 2.789 1 0 BFAFRO CC1(C)Cc2cccc(Cl)c2C[N+]1=O ZINC000034516678 187257630 /nfs/dbraw/zinc/25/76/30/187257630.db2.gz NSRXIFDRAWXLCL-UHFFFAOYSA-N 1 0 209.676 2.604 1 0 BFAFRO Cc1cccc2c3c([nH]c21)CC[C@@H]([NH+](C)C)C3 ZINC000039214015 179225949 /nfs/dbraw/zinc/22/59/49/179225949.db2.gz VTKSFSHZTLGDDB-LLVKDONJSA-N 1 0 228.339 2.895 1 0 BFAFRO CCCc1cncc(CC[N@H+](C)CC)c1 ZINC000028526524 188283872 /nfs/dbraw/zinc/28/38/72/188283872.db2.gz PJMFPDQNWJFIAI-UHFFFAOYSA-N 1 0 206.333 2.528 1 0 BFAFRO CC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000035090556 188285360 /nfs/dbraw/zinc/28/53/60/188285360.db2.gz IYNBYQDXVFMDGE-ZIAGYGMSSA-N 1 0 217.312 2.501 1 0 in-vivo BFAFRO CCCCC[C@H]1[NH+]=C(N)C[C@@H]1C(F)(F)F ZINC000027193510 168746434 /nfs/dbraw/zinc/74/64/34/168746434.db2.gz PZGNHZIXEYPIPG-JGVFFNPUSA-N 1 0 222.254 2.875 1 0 BFAFRO N=C(Nc1ccc(CC[NH3+])cc1)c1cccs1 ZINC000013487050 181199762 /nfs/dbraw/zinc/19/97/62/181199762.db2.gz RTAGVIBRIOCEES-UHFFFAOYSA-N 1 0 245.351 2.687 1 0 BFAFRO [NH2+]=C1N[C@H](c2ccc(F)cc2)Cc2ccccc21 ZINC000013911320 181339020 /nfs/dbraw/zinc/33/90/20/181339020.db2.gz KWMGDJOVVNCHIR-AWEZNQCLSA-N 1 0 240.281 2.828 1 0 BFAFRO [NH2+]=C1N[C@@H](c2cccc(F)c2)Cc2ccccc21 ZINC000025975153 181339478 /nfs/dbraw/zinc/33/94/78/181339478.db2.gz KLWZVSPGLUAFIN-CQSZACIVSA-N 1 0 240.281 2.828 1 0 BFAFRO Nc1[nH+]cc2cccc(-c3ccccc3)n12 ZINC000063539483 181798022 /nfs/dbraw/zinc/79/80/22/181798022.db2.gz NQWXPDWPIHDISD-UHFFFAOYSA-N 1 0 209.252 2.584 1 0 BFAFRO CCCC[NH2+][C@@H]1CCc2ccc(O)cc2C1 ZINC000028865185 168875014 /nfs/dbraw/zinc/87/50/14/168875014.db2.gz DQNYYQHCWYAOPC-CYBMUJFWSA-N 1 0 219.328 2.639 1 0 BFAFRO O[C@H]1C[C@H](c2ccco2)[NH2+]C2(CCCCC2)C1 ZINC000000335500 183249256 /nfs/dbraw/zinc/24/92/56/183249256.db2.gz AIQYSLMWCIICFG-NWDGAFQWSA-N 1 0 235.327 2.768 3 0 BFAFRO CCC[N@H+](CC)[C@@H]1CCc2cccc(O)c2C1 ZINC000027561408 169131086 /nfs/dbraw/zinc/13/10/86/169131086.db2.gz RXIVPHXKBOPSJF-CYBMUJFWSA-N 1 0 233.355 2.981 1 0 BFAFRO Oc1cccc2c1C[C@H]1CC[N@H+](CC3CC3)[C@@H]1C2 ZINC000012355950 183297415 /nfs/dbraw/zinc/29/74/15/183297415.db2.gz IOHQVZZQVYGLGG-UKRRQHHQSA-N 1 0 243.350 2.591 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3c(O)cccc3OC[C@H]21 ZINC000027847602 169198432 /nfs/dbraw/zinc/19/84/32/169198432.db2.gz UKQPRJSOSVDGII-NWDGAFQWSA-N 1 0 247.338 2.743 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2Cc3cccc(O)c3C[C@H]21 ZINC000013819983 169198744 /nfs/dbraw/zinc/19/87/44/169198744.db2.gz FBOFPTJPVFSAHF-UKRRQHHQSA-N 1 0 245.366 2.981 1 0 BFAFRO CCC[N@@H+]1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21 ZINC000013826563 169206284 /nfs/dbraw/zinc/20/62/84/169206284.db2.gz HDCVYYTWHHFQGS-UKRRQHHQSA-N 1 0 245.366 2.894 1 0 BFAFRO CCCOc1cccc(OCCC)c1C[NH3+] ZINC000103267463 169325956 /nfs/dbraw/zinc/32/59/56/169325956.db2.gz WBJSFNLJWDAPGF-UHFFFAOYSA-N 1 0 223.316 2.723 1 0 BFAFRO O=[N+]1c2ccccc2OCC1c1ccccc1 ZINC000001624795 132314122 /nfs/dbraw/zinc/31/41/22/132314122.db2.gz QGPSJQQNOWKCRD-UHFFFAOYSA-N 1 0 225.247 2.710 1 0 BFAFRO CCc1cc2ccccc2c(N2CC[NH2+]CC2)c1 ZINC000028335820 132334086 /nfs/dbraw/zinc/33/40/86/132334086.db2.gz MHYMDJBUBBVRCW-UHFFFAOYSA-N 1 0 240.350 2.812 1 0 BFAFRO C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1cncn1C)C2(C)C ZINC000371557201 397995281 /nfs/dbraw/zinc/99/52/81/397995281.db2.gz QIMJSIYIVZGWHH-ZMJPVWNMSA-N 1 0 247.386 2.580 1 0 BFAFRO CC(C)(C)[NH2+][C@H]1[C@H](O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000031900238 166637933 /nfs/dbraw/zinc/63/79/33/166637933.db2.gz VBIQESJEDOKYKY-BBGACYKPSA-N 1 0 225.376 2.560 1 0 BFAFRO CC[NH2+][C@H]1[C@H]2[C@@H]3[C@@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@]21CC ZINC000027902822 170170063 /nfs/dbraw/zinc/17/00/63/170170063.db2.gz JWACGMVTPOOTMF-YUSSEXNKSA-N 1 0 217.356 2.523 1 0 BFAFRO CC[C@@H](C)[C@H]1C[NH+]=C(N)N1CC1CCCCC1 ZINC000012727003 170801856 /nfs/dbraw/zinc/80/18/56/170801856.db2.gz QFMIRORLTBGYDS-DGCLKSJQSA-N 1 0 237.391 2.612 3 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1 ZINC000013471333 173010724 /nfs/dbraw/zinc/01/07/24/173010724.db2.gz OYMKMVHQLKXIBG-DZGCQCFKSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@H](c1ccc(Cl)nc1)C2 ZINC000013479025 173207382 /nfs/dbraw/zinc/20/73/82/173207382.db2.gz HLNPMOXPJPCMLY-VWYCJHECSA-N 1 0 222.719 2.685 1 0 BFAFRO C[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000033836455 187230216 /nfs/dbraw/zinc/23/02/16/187230216.db2.gz RGQUDRQSJYJYAQ-UHFFFAOYSA-O 1 0 217.679 2.799 1 0 in-vivo BFAFRO Cc1cc2[n+](cc1-c1ccc(O)cc1)CCC2 ZINC000014556608 187242829 /nfs/dbraw/zinc/24/28/29/187242829.db2.gz PTGFJAXMSHAWHR-UHFFFAOYSA-O 1 0 226.299 2.601 1 0 BFAFRO CCC[NH+]1CCN(c2cccc3ccoc32)CC1 ZINC000013738322 534935204 /nfs/dbraw/zinc/93/52/04/534935204.db2.gz JSKHWHIBSRDAQC-UHFFFAOYSA-N 1 0 244.338 2.965 1 0 BFAFRO CCCc1cncc(OC[C@@H]2CCC[N@@H+]2C)c1 ZINC000026571793 187255253 /nfs/dbraw/zinc/25/52/53/187255253.db2.gz SCCWLILDZVYJOK-ZDUSSCGKSA-N 1 0 234.343 2.507 1 0 BFAFRO c1cc2c(s1)C=C1C3=[N+](C[C@@H]1C2)CCCC3 ZINC000006010132 188278027 /nfs/dbraw/zinc/27/80/27/188278027.db2.gz TVUYQZUUHFSYPG-NSHDSACASA-N 1 0 230.356 2.955 1 0 BFAFRO COc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)(C)C)cc1 ZINC000027657311 188283121 /nfs/dbraw/zinc/28/31/21/188283121.db2.gz SHSXBVACJZCTAK-ZWNOBZJWSA-N 1 0 237.343 2.505 1 0 BFAFRO [NH3+]CC12CC(c3ccccc31)c1ccccc12 ZINC000013473103 181363666 /nfs/dbraw/zinc/36/36/66/181363666.db2.gz IZUFWQBEJCIXMX-UHFFFAOYSA-N 1 0 221.303 2.780 1 0 BFAFRO CCCC[NH2+][C@@H]1CCc2cc(OC)ccc2C1 ZINC000028865147 168875317 /nfs/dbraw/zinc/87/53/17/168875317.db2.gz SCGPXLLBWYLOQS-CQSZACIVSA-N 1 0 233.355 2.942 1 0 BFAFRO CCCC[NH2+][C@H]1CCc2cc(OC)ccc2C1 ZINC000028865151 168877934 /nfs/dbraw/zinc/87/79/34/168877934.db2.gz SCGPXLLBWYLOQS-AWEZNQCLSA-N 1 0 233.355 2.942 1 0 BFAFRO O[C@@H]1CCC2=C(C[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000169328684 183186397 /nfs/dbraw/zinc/18/63/97/183186397.db2.gz YRDSGPROQBZPFV-SWLSCSKDSA-N 1 0 235.371 2.724 1 0 BFAFRO O[C@H]1CCC2=C(C[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000169328689 183230522 /nfs/dbraw/zinc/23/05/22/183230522.db2.gz YRDSGPROQBZPFV-DOMZBBRYSA-N 1 0 235.371 2.724 1 0 BFAFRO CCC[NH+](CCC)[C@@H]1CCn2ccc(C=O)c2C1 ZINC000013642115 169151356 /nfs/dbraw/zinc/15/13/56/169151356.db2.gz VELJFQQYEQHBOB-CQSZACIVSA-N 1 0 248.370 2.737 1 0 BFAFRO CCC[N@H+](CC)[C@@H]1CCc2c(O)cccc2C1 ZINC000039249743 169131017 /nfs/dbraw/zinc/13/10/17/169131017.db2.gz YATHGSRZXANWKR-CYBMUJFWSA-N 1 0 233.355 2.981 1 0 BFAFRO Oc1cc2c(cc1Cl)CC[NH+]=C(C1CC1)N2 ZINC000045298383 183261289 /nfs/dbraw/zinc/26/12/89/183261289.db2.gz AVRNGSQFNMEKSG-UHFFFAOYSA-N 1 0 236.702 2.822 1 0 BFAFRO Oc1cccc([C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000029235405 183294617 /nfs/dbraw/zinc/29/46/17/183294617.db2.gz WIAHJEMHRGPIPV-HNNXBMFYSA-N 1 0 225.291 2.627 1 0 BFAFRO CCC[N@@H+]1CCO[C@@H]2c3ccccc3CC[C@H]21 ZINC000029392762 169205236 /nfs/dbraw/zinc/20/52/36/169205236.db2.gz AWZLBZREVQLYFE-HUUCEWRRSA-N 1 0 231.339 2.785 1 0 BFAFRO CCC[N@@H+]1CCC2=C(CCc3sc(N)nc32)C1 ZINC000013824120 169191908 /nfs/dbraw/zinc/19/19/08/169191908.db2.gz IGLLADILKYAPBC-UHFFFAOYSA-N 1 0 249.383 2.541 1 0 BFAFRO c1c[nH]c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000029332825 183328618 /nfs/dbraw/zinc/32/86/18/183328618.db2.gz LDAHIJXZDXUBBY-OAHLLOKOSA-N 1 0 237.306 2.731 1 0 BFAFRO CCC[NH2+][C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000045245761 169275086 /nfs/dbraw/zinc/27/50/86/169275086.db2.gz PJSOCXYIJJIWHO-VIFPVBQESA-N 1 0 225.719 2.911 1 0 in-vitro BFAFRO CCC[NH2+][C@H]1CCc2c(O)c(C)ccc2C1 ZINC000027860328 169292360 /nfs/dbraw/zinc/29/23/60/169292360.db2.gz QBQZYWZPEHRKCJ-LBPRGKRZSA-N 1 0 219.328 2.558 1 0 BFAFRO c1ccc2c(c1)cccc2CCC1=[NH+]CCN1 ZINC000040975172 183437940 /nfs/dbraw/zinc/43/79/40/183437940.db2.gz FSAMTXDKVGGZLS-UHFFFAOYSA-N 1 0 224.307 2.774 1 0 BFAFRO CC(C)Nc1nc2ccccc2c(N(C)C)n1 ZINC000169337300 167150590 /nfs/dbraw/zinc/15/05/90/167150590.db2.gz AQXKLKGOEFKMJH-UHFFFAOYSA-N 1 0 230.315 2.516 1 0 BFAFRO CC[NH+](CC)[C@H]1CCc2ccccc2C1 ZINC000027854593 169801906 /nfs/dbraw/zinc/80/19/06/169801906.db2.gz HKKFAEDOOMPSFN-AWEZNQCLSA-N 1 0 203.329 2.886 1 0 BFAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](SC(N)=[NH2+])C2 ZINC000004777718 168003456 /nfs/dbraw/zinc/00/34/56/168003456.db2.gz FZEFQGSAQNAPBA-FYBVGQRMSA-N 1 0 212.362 2.828 1 0 BFAFRO CC[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C ZINC000027078488 170014319 /nfs/dbraw/zinc/01/43/19/170014319.db2.gz ZMAYVLNGIHEQKO-HFBAOOFYSA-N 1 0 245.366 2.936 1 0 BFAFRO CC[NH2+][C@@H]1CCCc2nc3ccccc3c(N)c21 ZINC000003802311 170151872 /nfs/dbraw/zinc/15/18/72/170151872.db2.gz ASJZMSBXFBKBDW-GFCCVEGCSA-N 1 0 241.338 2.804 1 0 BFAFRO C[N@@H+]1CC[C@@]2(c3cccc(O)c3)CC=CC[C@H]2C1 ZINC000027633694 173141966 /nfs/dbraw/zinc/14/19/66/173141966.db2.gz FPQCPOYRDZPILW-GOEBONIOSA-N 1 0 243.350 2.932 1 0 BFAFRO C[N@@H+]1CCc2ccc(Cl)c3c2[C@H](CC3)C1 ZINC000027712447 173171678 /nfs/dbraw/zinc/17/16/78/173171678.db2.gz HDFJHMACFRDUNC-SNVBAGLBSA-N 1 0 221.731 2.858 1 0 BFAFRO COc1cc2c(cc1Cl)[C@@H](C)[C@@H]1C[NH2+]C[C@H]21 ZINC000036270561 175022857 /nfs/dbraw/zinc/02/28/57/175022857.db2.gz LANLSVUKINPKJD-PPKCKEKNSA-N 1 0 237.730 2.769 1 0 BFAFRO COc1ccc2c(c1)[C@@]1(C)CC[N@H+](C)[C@@H](C2)C1 ZINC000149617783 175215058 /nfs/dbraw/zinc/21/50/58/175215058.db2.gz UGAQCJNDORUURF-WFASDCNBSA-N 1 0 231.339 2.603 1 0 BFAFRO COc1ccc2c(c1)[C@@]1(CC[N@H+](C)C1)CCC2 ZINC000027733669 175217032 /nfs/dbraw/zinc/21/70/32/175217032.db2.gz WAGQXNPXOFBRMT-OAHLLOKOSA-N 1 0 231.339 2.605 1 0 BFAFRO C[C@H]1CCC[C@@H]2Cc3ccccc3[C@]21[NH3+] ZINC000027724559 177127948 /nfs/dbraw/zinc/12/79/48/177127948.db2.gz SEIXOAIDAGGEFF-ZKYQVNSYSA-N 1 0 201.313 2.833 1 0 BFAFRO C[C@H]1C[NH+]=C(N(C)C)N1CCCC1CCCC1 ZINC000036386709 177280026 /nfs/dbraw/zinc/28/00/26/177280026.db2.gz VTHCSIGOXCRGIL-LBPRGKRZSA-N 1 0 237.391 2.579 3 0 BFAFRO CCc1cc2c(ccc3cnn(C[C@@H](C)[NH3+])c32)o1 ZINC000014952633 560227687 /nfs/dbraw/zinc/22/76/87/560227687.db2.gz QLOOWOVVZLBYHU-SECBINFHSA-N 1 0 243.310 2.692 1 0 in-vitro BFAFRO Cc1ccc2[nH]c(-c3cc[n+](C)cc3)cc2c1 ZINC000000063339 187244355 /nfs/dbraw/zinc/24/43/55/187244355.db2.gz GHXKKOWRRLIECM-UHFFFAOYSA-O 1 0 223.299 2.968 2 0 BFAFRO C[N@@H+]1CCC=C(c2c[nH]c3ccc(O)cc32)C1 ZINC000026750054 188283245 /nfs/dbraw/zinc/28/32/45/188283245.db2.gz DJOAYTZWPNZMQY-UHFFFAOYSA-N 1 0 228.295 2.592 1 0 BFAFRO C(=C/c1ccccc1)\CC[NH2+]CCc1c[nH]cn1 ZINC000029414057 188283671 /nfs/dbraw/zinc/28/36/71/188283671.db2.gz SITVPGHFCGFCRO-XBXARRHUSA-N 1 0 241.338 2.645 1 0 BFAFRO Fc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC000066166128 180984587 /nfs/dbraw/zinc/98/45/87/180984587.db2.gz ORCITSDDHKMOSI-UHFFFAOYSA-N 1 0 232.302 2.945 1 0 BFAFRO NC(=[NH2+])N1Cc2cccc3c(Cl)ccc(c23)C1 ZINC000027764063 181187408 /nfs/dbraw/zinc/18/74/08/181187408.db2.gz BPTUMLOQGDUOMY-UHFFFAOYSA-N 1 0 245.713 2.702 1 0 BFAFRO NC1=[NH+][C@H](Cc2ccccc2)[C@H](C(F)(F)F)C1 ZINC000013781181 181339076 /nfs/dbraw/zinc/33/90/76/181339076.db2.gz UQPONPWAJJACRG-NXEZZACHSA-N 1 0 242.244 2.537 1 0 BFAFRO [NH2+]=C1N[C@@H](c2ccccc2)Cc2ccccc21 ZINC000003959789 181339259 /nfs/dbraw/zinc/33/92/59/181339259.db2.gz NXQKWROQUYKWQS-CQSZACIVSA-N 1 0 222.291 2.689 1 0 BFAFRO Oc1cccc2c1C[C@H]([NH+]1CCCCC1)CC2 ZINC000027560281 183296587 /nfs/dbraw/zinc/29/65/87/183296587.db2.gz LDULRPPWASLNIS-CYBMUJFWSA-N 1 0 231.339 2.735 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3cc(O)ccc3OC[C@@H]21 ZINC000027849123 169191736 /nfs/dbraw/zinc/19/17/36/169191736.db2.gz GOAIESIEBXUUKO-AWEZNQCLSA-N 1 0 245.322 2.652 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3cccnc3CC[C@H]21 ZINC000026005416 169198167 /nfs/dbraw/zinc/19/81/67/169198167.db2.gz UEHJPVCNGHZHGZ-UKRRQHHQSA-N 1 0 230.355 2.986 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 ZINC000000010956 169198326 /nfs/dbraw/zinc/19/83/26/169198326.db2.gz BJMSUUATNLDQQZ-DGCLKSJQSA-N 1 0 247.338 2.743 1 0 BFAFRO CC[NH2+][C@@H]1CCc2c(OC)ccc(Cl)c2C1 ZINC000029213625 170154085 /nfs/dbraw/zinc/15/40/85/170154085.db2.gz WAPNCIRBPQRYGU-SECBINFHSA-N 1 0 239.746 2.815 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@@H]1CCc2c(O)cccc2O1 ZINC000013471346 173010449 /nfs/dbraw/zinc/01/04/49/173010449.db2.gz SAFAEJVPQFBPCV-WFASDCNBSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1CC[C@@]2(C1)CCCc1ccccc12 ZINC000027761869 173165856 /nfs/dbraw/zinc/16/58/56/173165856.db2.gz BIBARNODTDRLBO-CQSZACIVSA-N 1 0 201.313 2.596 1 0 BFAFRO C[N@@H+]1C[C@]2(c3cccc(O)c3)C[C@H]1CCC2 ZINC000002000991 173189863 /nfs/dbraw/zinc/18/98/63/173189863.db2.gz CACUHZYZLDBFQG-TZMCWYRMSA-N 1 0 217.312 2.518 1 0 BFAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]2c1ccc(F)cc1 ZINC000027422818 173206773 /nfs/dbraw/zinc/20/67/73/173206773.db2.gz BXGWCQDCHRVLAK-YNEHKIRRSA-N 1 0 205.276 2.776 1 0 BFAFRO C[NH+]=C1Nc2ccccc2[C@H]2CCC[C@@H]12 ZINC000013817903 173322345 /nfs/dbraw/zinc/32/23/45/173322345.db2.gz PVMORZLJCFBESW-MWLCHTKSSA-N 1 0 200.285 2.833 1 0 BFAFRO C[NH2+][C@@]12CCCC[C@H]1Cc1ccc(OC)cc12 ZINC000027742110 173441538 /nfs/dbraw/zinc/44/15/38/173441538.db2.gz YNPJHPVRCSPJRY-WFASDCNBSA-N 1 0 231.339 2.856 1 0 BFAFRO C[NH2+][C@]12CCCC[C@@H]1Cc1ccc(OC)cc12 ZINC000027742101 173470261 /nfs/dbraw/zinc/47/02/61/173470261.db2.gz YNPJHPVRCSPJRY-IUODEOHRSA-N 1 0 231.339 2.856 1 0 BFAFRO COCC[NH2+][C@H](C)Cc1ccc(SC)cc1 ZINC000049018177 174339135 /nfs/dbraw/zinc/33/91/35/174339135.db2.gz MDSVGWNIKXFCMY-LLVKDONJSA-N 1 0 239.384 2.576 1 0 BFAFRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](C)C3)c2c1 ZINC000013801318 175203012 /nfs/dbraw/zinc/20/30/12/175203012.db2.gz ISLZNKXLIRVSJS-SNVBAGLBSA-N 1 0 230.311 2.596 1 0 BFAFRO COc1cccc([C@@]23CC[C@@H](C2)[N@H+](C)CC3)c1 ZINC000169314262 175291335 /nfs/dbraw/zinc/29/13/35/175291335.db2.gz AUMHLYHVBLXFAN-DZGCQCFKSA-N 1 0 231.339 2.821 1 0 BFAFRO COc1ccccc1[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C[NH3+] ZINC000027993725 175355246 /nfs/dbraw/zinc/35/52/46/175355246.db2.gz TWQYJZHCEIXHSD-WJNVRWDZSA-N 1 0 231.339 2.784 1 0 BFAFRO C1=[NH+]C[C@@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1 ZINC000003975998 187247354 /nfs/dbraw/zinc/24/73/54/187247354.db2.gz BAMMEMQIAYAJNE-PMPSAXMXSA-N 1 0 240.350 2.572 1 0 BFAFRO Cc1ccc2c(c1O)CC[C@@H]([NH2+]C(C)C)C2 ZINC000027861182 178967439 /nfs/dbraw/zinc/96/74/39/178967439.db2.gz NUAMSJSVWLLANY-GFCCVEGCSA-N 1 0 219.328 2.556 1 0 BFAFRO Clc1cc2c(cn1)[C@@H]1[C@@H](CC2)[C@H]2CC[C@@H]1[NH2+]2 ZINC000140779274 180576531 /nfs/dbraw/zinc/57/65/31/180576531.db2.gz HYHQVGSPVWWXJX-UKKREREHSA-N 1 0 234.730 2.515 1 0 BFAFRO Clc1ccc2c(n1)CC[C@@H]1[C@H]2[C@H]2CC[C@@H]1[NH2+]2 ZINC000013493587 180587450 /nfs/dbraw/zinc/58/74/50/180587450.db2.gz YFIIBDQLLAQNAF-OVLVYRFBSA-N 1 0 234.730 2.515 1 0 BFAFRO Clc1cccc2c1C[C@H](C[C@@H]1C[NH+]=CN1)CC2 ZINC000013862092 180592975 /nfs/dbraw/zinc/59/29/75/180592975.db2.gz BMPZSZPBZNKNFC-CMPLNLGQSA-N 1 0 248.757 2.835 1 0 BFAFRO O[C@@H]1CCC2=C(C[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000169328687 183186943 /nfs/dbraw/zinc/18/69/43/183186943.db2.gz YRDSGPROQBZPFV-IUODEOHRSA-N 1 0 235.371 2.724 1 0 BFAFRO O[C@@]12CCCC[C@H]1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000005999541 183217698 /nfs/dbraw/zinc/21/76/98/183217698.db2.gz NRCWMRBKHVZROJ-RRFJBIMHSA-N 1 0 231.339 2.642 1 0 BFAFRO CCC[N@H+](C)[C@@H]1CCCc2ccncc21 ZINC000027196557 169086518 /nfs/dbraw/zinc/08/65/18/169086518.db2.gz XQNVAMDLGUDXMK-CYBMUJFWSA-N 1 0 204.317 2.801 1 0 BFAFRO Oc1cccc([C@@]23CC[C@@H](C2)[NH2+]CCC3)c1 ZINC000029254466 183293987 /nfs/dbraw/zinc/29/39/87/183293987.db2.gz IXIRITGIJAZPRO-JSGCOSHPSA-N 1 0 217.312 2.566 1 0 BFAFRO Oc1cccc([C@]23CC[C@H](C2)[NH2+]CCC3)c1 ZINC000029254471 183294486 /nfs/dbraw/zinc/29/44/86/183294486.db2.gz IXIRITGIJAZPRO-TZMCWYRMSA-N 1 0 217.312 2.566 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3nc(N)sc3CC[C@H]21 ZINC000013824112 169190960 /nfs/dbraw/zinc/19/09/60/169190960.db2.gz VOPHHPYKMCJUCP-SNVBAGLBSA-N 1 0 249.383 2.539 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3cccc(O)c3OC[C@H]21 ZINC000027851586 169191771 /nfs/dbraw/zinc/19/17/71/169191771.db2.gz OFJPBUNBLOUSKK-CYBMUJFWSA-N 1 0 245.322 2.652 1 0 BFAFRO c1cc(-c2ccc3c(c2)[C@H]2C[C@@H]3C[NH2+]C2)c[nH]1 ZINC000028527663 183329617 /nfs/dbraw/zinc/32/96/17/183329617.db2.gz AZTFASAELTYTNV-OLZOCXBDSA-N 1 0 224.307 2.856 1 0 BFAFRO CCC[N@@H+]1CC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000026004503 169207241 /nfs/dbraw/zinc/20/72/41/169207241.db2.gz UVOXCNCVSFLEPX-QWHCGFSZSA-N 1 0 231.339 2.906 1 0 BFAFRO CCC[N@@H+]1CC[C@H]2c3c(O)cccc3CC[C@@H]21 ZINC000013826511 169208610 /nfs/dbraw/zinc/20/86/10/169208610.db2.gz UVOXCNCVSFLEPX-OLZOCXBDSA-N 1 0 231.339 2.906 1 0 BFAFRO CCC[NH2+][C@@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000029213329 169283253 /nfs/dbraw/zinc/28/32/53/169283253.db2.gz PSNOMAGNYXMJBT-LLVKDONJSA-N 1 0 249.354 2.561 1 0 BFAFRO c1ccc(N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000003955992 132316009 /nfs/dbraw/zinc/31/60/09/132316009.db2.gz MKQNMIUBCUAQFL-UHFFFAOYSA-N 1 0 230.355 2.657 1 0 BFAFRO CC[N@@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C ZINC000027084661 170024761 /nfs/dbraw/zinc/02/47/61/170024761.db2.gz ZMAYVLNGIHEQKO-UVBJJODRSA-N 1 0 245.366 2.936 1 0 BFAFRO CC[N@@H+]1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000013152316 170030023 /nfs/dbraw/zinc/03/00/23/170030023.db2.gz XLCYCZFQMQVQNF-VNHYZAJKSA-N 1 0 233.355 2.624 1 0 BFAFRO CCc1nn(C[C@H](C)[NH3+])c2c3ccoc3ccc12 ZINC000029124689 172045287 /nfs/dbraw/zinc/04/52/87/172045287.db2.gz YUUIXXWVRJNQQP-VIFPVBQESA-N 1 0 243.310 2.692 1 0 BFAFRO C[NH+](C)CCc1c[nH]c2cc3c(cc12)OCCC3 ZINC000013727655 172477181 /nfs/dbraw/zinc/47/71/81/172477181.db2.gz JLWIAKOXJGKMDU-UHFFFAOYSA-N 1 0 244.338 2.597 1 0 BFAFRO C[N@@H+]1CCC[C@]12CCc1ccccc1C2 ZINC000169315953 173062850 /nfs/dbraw/zinc/06/28/50/173062850.db2.gz YKAGSHHKHLFNHK-CQSZACIVSA-N 1 0 201.313 2.640 1 0 BFAFRO C[N@@H+]1C[C@@]23Cc4ccc(O)cc4[C@@](C)(CC[C@@H]12)C3 ZINC000029571021 173189428 /nfs/dbraw/zinc/18/94/28/173189428.db2.gz HUBOTCKKRXYMHW-PMPSAXMXSA-N 1 0 243.350 2.690 1 0 BFAFRO C[N@@H+]1C[C@@H]2c3c(N)cccc3[C@H]1[C@H]1CCC[C@H]12 ZINC000027193422 173190514 /nfs/dbraw/zinc/19/05/14/173190514.db2.gz JOOBQJINBSHFNJ-GOMXZESMSA-N 1 0 228.339 2.769 1 0 BFAFRO CNC(=[NH2+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000013606111 173211196 /nfs/dbraw/zinc/21/11/96/173211196.db2.gz OAZRQKORSLZFDR-UHFFFAOYSA-N 1 0 222.291 2.803 1 0 BFAFRO COC1(c2ccccc2)[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC000000000942 174010657 /nfs/dbraw/zinc/01/06/57/174010657.db2.gz YFFNPIAPUDUYAU-XYPWUTKMSA-N 1 0 245.366 2.890 1 0 in-man BFAFRO COC12C[C@H]3CC([NH3+])(C[C@@H](C1)c1ccccc13)C2 ZINC000169337097 174011216 /nfs/dbraw/zinc/01/12/16/174011216.db2.gz GRLDJRHCHZRKCQ-RJAIZQQDSA-N 1 0 243.350 2.928 1 0 BFAFRO COc1cc(CC[NH3+])c(OC)c2c1[C@@H]1CC[C@H]2C1 ZINC000027212930 174978026 /nfs/dbraw/zinc/97/80/26/174978026.db2.gz ASPWVWSIJQTXDB-ZJUUUORDSA-N 1 0 247.338 2.570 1 0 BFAFRO COc1cc2c(cc1Cl)CC[NH2+]C[C@H]2C ZINC000028964482 175021433 /nfs/dbraw/zinc/02/14/33/175021433.db2.gz JIFVFWNAYPDOBY-MRVPVSSYSA-N 1 0 225.719 2.598 1 0 BFAFRO COc1cc2c(cc1Cl)[C@H](C)[C@@H]1C[NH2+]C[C@H]21 ZINC000034849756 175022671 /nfs/dbraw/zinc/02/26/71/175022671.db2.gz LANLSVUKINPKJD-BKDNQFJXSA-N 1 0 237.730 2.769 1 0 BFAFRO COc1ccc(/C(C)=C/C[NH+](C)C)cc1 ZINC000073163022 175045820 /nfs/dbraw/zinc/04/58/20/175045820.db2.gz KCGUVCXPYIUSBZ-PKNBQFBNSA-N 1 0 205.301 2.660 1 0 BFAFRO COc1ccc2[nH]cc(C3=CCC[N@H+](C)C3)c2c1 ZINC000026745214 175202328 /nfs/dbraw/zinc/20/23/28/175202328.db2.gz ISHNBMGHXDIRTF-UHFFFAOYSA-N 1 0 242.322 2.895 1 0 BFAFRO COc1ccc2c(c1)[C@@]1(C)CC[N@H+](C)[C@@H](C2)[C@@H]1C ZINC000169342333 175215371 /nfs/dbraw/zinc/21/53/71/175215371.db2.gz UYGXIRLPYCTTQQ-UVBJJODRSA-N 1 0 245.366 2.849 1 0 BFAFRO COc1cccc([C@]23C[C@H](CCC2)[NH2+][C@@H]3C)c1 ZINC000033828320 175291908 /nfs/dbraw/zinc/29/19/08/175291908.db2.gz VHLAYLGSPSIKOJ-ZLDLUXBVSA-N 1 0 231.339 2.867 1 0 BFAFRO COc1cccc([C@]23CC[C@H](C2)[NH2+]CCC3)c1 ZINC000029246465 175297760 /nfs/dbraw/zinc/29/77/60/175297760.db2.gz PRVRSSVEGMFFPB-UKRRQHHQSA-N 1 0 231.339 2.869 1 0 BFAFRO C[C@H]1C[NH2+]CCc2ccc(C(F)(F)F)cc21 ZINC000028127770 177284751 /nfs/dbraw/zinc/28/47/51/177284751.db2.gz GBYLNYMTYZRQLE-QMMMGPOBSA-N 1 0 229.245 2.955 1 0 BFAFRO Cc1cc2c3c(n4c2c(c1)C[NH2+]CC4)CCCC3 ZINC000026578249 178294408 /nfs/dbraw/zinc/29/44/08/178294408.db2.gz JOOZQMAAEHQNSP-UHFFFAOYSA-N 1 0 240.350 2.932 1 0 BFAFRO Cc1ccccc1/C=C/c1cc[n+](C)cc1 ZINC000003161365 179244187 /nfs/dbraw/zinc/24/41/87/179244187.db2.gz XDOZFXDLAWMPJK-BQYQJAHWSA-N 1 0 210.300 2.990 3 0 BFAFRO CCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000006379937 188103068 /nfs/dbraw/zinc/10/30/68/188103068.db2.gz OQSYZPCZWYGQLK-UHFFFAOYSA-O 1 0 215.320 2.818 1 0 BFAFRO [NH2+]=C1N[C@@H](c2ccccc2)Cc2cccc(F)c21 ZINC000025976323 181338972 /nfs/dbraw/zinc/33/89/72/181338972.db2.gz OTLLMGWJZKFCGF-CYBMUJFWSA-N 1 0 240.281 2.828 1 0 BFAFRO O=C(Nc1ccccc1)O[C@H]1C[C@H]2CCC[C@@H]1[NH2+]2 ZINC000026504998 182377389 /nfs/dbraw/zinc/37/73/89/182377389.db2.gz BLXVLQQWVJDBTF-AGIUHOORSA-N 1 0 246.310 2.518 1 0 BFAFRO CCC[N@H+](CC)CCc1ccc(F)c(O)c1 ZINC000026483402 169122272 /nfs/dbraw/zinc/12/22/72/169122272.db2.gz QENBOHPMBXBKIA-UHFFFAOYSA-N 1 0 225.307 2.806 1 0 BFAFRO Oc1cccc2c1C[C@@H]([NH+]1CCCCC1)CC2 ZINC000027560282 183297355 /nfs/dbraw/zinc/29/73/55/183297355.db2.gz LDULRPPWASLNIS-ZDUSSCGKSA-N 1 0 231.339 2.735 1 0 BFAFRO c1c[nH]c(-c2ccc3c(c2)[C@H]2C[C@@H]3C[NH2+]C2)c1 ZINC000028527659 183323380 /nfs/dbraw/zinc/32/33/80/183323380.db2.gz IVLQQMFRRZESBS-NEPJUHHUSA-N 1 0 224.307 2.856 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3cccc(O)c3OC[C@@H]21 ZINC000027851579 169191572 /nfs/dbraw/zinc/19/15/72/169191572.db2.gz OFJPBUNBLOUSKK-ZDUSSCGKSA-N 1 0 245.322 2.652 1 0 BFAFRO c1ccc(-c2ccccc2C2=[NH+]CCN2)cc1 ZINC000013806063 183380750 /nfs/dbraw/zinc/38/07/50/183380750.db2.gz OBRXTTWEHKAJLH-UHFFFAOYSA-N 1 0 222.291 2.703 1 0 BFAFRO Cc1cc(C(C)(C)C)cc(C)c1NC1=[NH+]CCN1 ZINC000028390916 177827945 /nfs/dbraw/zinc/82/79/45/177827945.db2.gz XGNDGQSAKIPSMK-UHFFFAOYSA-N 1 0 245.370 2.972 1 0 BFAFRO Cc1cc(N)[nH+]c(N2CCc3ccccc3C2)c1 ZINC000013488067 132321676 /nfs/dbraw/zinc/32/16/76/132321676.db2.gz MHQJUEQRWCKJRG-UHFFFAOYSA-N 1 0 239.322 2.535 1 0 BFAFRO CC(C)[NH2+]CCCOc1cccc2[nH]ccc21 ZINC000027517638 167101511 /nfs/dbraw/zinc/10/15/11/167101511.db2.gz WVZTUANJXARAQY-UHFFFAOYSA-N 1 0 232.327 2.935 1 0 BFAFRO CC(C)Sc1ccccc1NCC1=[NH+]CCN1 ZINC000013473760 167338449 /nfs/dbraw/zinc/33/84/49/167338449.db2.gz RREJZKOLYMUBNO-UHFFFAOYSA-N 1 0 249.383 2.601 1 0 BFAFRO CC1=CC[C@H]([C@@H](C)CCN2CC[NH2+]CC2)CC1 ZINC000049068752 168121694 /nfs/dbraw/zinc/12/16/94/168121694.db2.gz DUWYIKDUIZWFBL-GJZGRUSLSA-N 1 0 236.403 2.664 1 0 BFAFRO CCN1c2ccccc2[C@]2(CC)CC[N@@H+](C)[C@@H]12 ZINC000169368820 170041499 /nfs/dbraw/zinc/04/14/99/170041499.db2.gz OSITUDRHKICEAS-GJZGRUSLSA-N 1 0 230.355 2.836 1 0 BFAFRO CC[C@@]12CC=CC[C@@H](Cc3ccc(O)cc31)[C@@H]2[NH3+] ZINC000169334203 171218218 /nfs/dbraw/zinc/21/82/18/171218218.db2.gz DONFCAMIZWSTQQ-VBNZEHGJSA-N 1 0 243.350 2.890 1 0 BFAFRO CCc1cnc2cc3c(cc2c1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028527967 171920002 /nfs/dbraw/zinc/92/00/02/171920002.db2.gz RAGYLUOTYIODHC-QWHCGFSZSA-N 1 0 238.334 2.971 1 0 BFAFRO CCn1cc(CC[NH+](C)C)c2cc(OC)ccc21 ZINC000013805809 172158146 /nfs/dbraw/zinc/15/81/46/172158146.db2.gz NROYJCARPGQFQY-UHFFFAOYSA-N 1 0 246.354 2.774 1 0 BFAFRO C[NH+](C)CCC[C@]1(O)C[C@@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3 ZINC000064437064 172445628 /nfs/dbraw/zinc/44/56/28/172445628.db2.gz HCONCBNXIFELLM-AICCOOGYSA-N 1 0 237.387 2.515 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@@H]1CCc2ccccc2O1 ZINC000013471338 173009280 /nfs/dbraw/zinc/00/92/80/173009280.db2.gz RJVGVBJTZKQZAY-ZFWWWQNUSA-N 1 0 231.339 2.865 1 0 BFAFRO C[N@@H+]1CCC[C@@H]1c1cc2ncccc2o1 ZINC000004628562 173036816 /nfs/dbraw/zinc/03/68/16/173036816.db2.gz BJFLPKJLIFUESE-SNVBAGLBSA-N 1 0 202.257 2.595 1 0 BFAFRO C[N@@H+]1CCC[C@H]1COc1ccc2cccnc2c1 ZINC000026382674 173056750 /nfs/dbraw/zinc/05/67/50/173056750.db2.gz WWHJVFVUYJMQHP-ZDUSSCGKSA-N 1 0 242.322 2.708 1 0 BFAFRO C[N@@H+]1CC[C@H]2c3ccccc3CC[C@H]2C1 ZINC000013455421 173162661 /nfs/dbraw/zinc/16/26/61/173162661.db2.gz HGPONHINTKRFQE-GXTWGEPZSA-N 1 0 201.313 2.668 1 0 BFAFRO C[N@@H+]1C[C@@H]2CCC[C@]2(c2ccc(F)c(F)c2)C1 ZINC000072112634 173188802 /nfs/dbraw/zinc/18/88/02/173188802.db2.gz ITPUGBSWGNTRDI-SMDDNHRTSA-N 1 0 237.293 2.948 1 0 BFAFRO C[N@@H+]1C[C@@]2(c3cccc(O)c3)C[C@@H]1CCC2 ZINC000169317060 173199122 /nfs/dbraw/zinc/19/91/22/173199122.db2.gz CACUHZYZLDBFQG-JSGCOSHPSA-N 1 0 217.312 2.518 1 0 BFAFRO COCCNc1[nH+]ccc2[nH]c3ccccc3c21 ZINC000040429261 174342892 /nfs/dbraw/zinc/34/28/92/174342892.db2.gz LPEINBBGPPSKIU-UHFFFAOYSA-N 1 0 241.294 2.774 1 0 BFAFRO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)(C)C)cc1 ZINC000027657310 175181178 /nfs/dbraw/zinc/18/11/78/175181178.db2.gz SHSXBVACJZCTAK-MFKMUULPSA-N 1 0 237.343 2.505 1 0 BFAFRO COc1ccc([C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C[NH3+])cc1 ZINC000027997819 175186411 /nfs/dbraw/zinc/18/64/11/175186411.db2.gz KMHOEPPHTBTLAR-NEBZKDRISA-N 1 0 231.339 2.784 1 0 BFAFRO COc1ccc([C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C[NH3+])cc1 ZINC000027997814 175198661 /nfs/dbraw/zinc/19/86/61/175198661.db2.gz KMHOEPPHTBTLAR-MYZSUADSSA-N 1 0 231.339 2.784 1 0 BFAFRO COc1ccc2c(c1)CCC[C@@]21CC[N@H+](C)C1 ZINC000027736218 175208187 /nfs/dbraw/zinc/20/81/87/175208187.db2.gz DQDBBLKLJQIXFD-HNNXBMFYSA-N 1 0 231.339 2.605 1 0 BFAFRO COc1ccc2c(c1)CC[C@]1(CCC[N@@H+]1C)C2 ZINC000169315960 175209596 /nfs/dbraw/zinc/20/95/96/175209596.db2.gz XMHFWKAXFHSIQD-OAHLLOKOSA-N 1 0 231.339 2.648 1 0 BFAFRO COc1ccc2c(c1)CC[C@@]1(CCC[N@@H+]1C)C2 ZINC000169315959 175210210 /nfs/dbraw/zinc/21/02/10/175210210.db2.gz XMHFWKAXFHSIQD-HNNXBMFYSA-N 1 0 231.339 2.648 1 0 BFAFRO COc1cccc2c1C[N+](=O)C1(CCCCC1)C2 ZINC000038392837 175301116 /nfs/dbraw/zinc/30/11/16/175301116.db2.gz YNFAYEJFGSIBQY-UHFFFAOYSA-N 1 0 245.322 2.883 1 0 BFAFRO C[C@@H]1CCc2cc(F)cc3c(CC[NH3+])cn1c32 ZINC000003963815 176239272 /nfs/dbraw/zinc/23/92/72/176239272.db2.gz IMICWWRDHASRGJ-SECBINFHSA-N 1 0 232.302 2.789 1 0 BFAFRO C[C@H]1CC(OC(=O)c2ccccc2)C[C@H](C)[NH+]1C ZINC000005573532 177066115 /nfs/dbraw/zinc/06/61/15/177066115.db2.gz VTLHUCDLENWPBT-RYUDHWBXSA-N 1 0 247.338 2.715 3 0 BFAFRO C[C@H]1[N@H+](C)[C@@H]2C[C@@]1(c1cccc(O)c1)CCC2 ZINC000033828059 177392455 /nfs/dbraw/zinc/39/24/55/177392455.db2.gz JKOWKYCFCWDUJV-ZLDLUXBVSA-N 1 0 231.339 2.907 1 0 BFAFRO C[C@]12[NH2+][C@H](Cc3ccccc31)C1=CC=CC[C@H]12 ZINC000026000955 177485818 /nfs/dbraw/zinc/48/58/18/177485818.db2.gz USXOTRZXKQMLJY-OAGGEKHMSA-N 1 0 223.319 2.932 1 0 BFAFRO Cc1cc2c3c(n4c2c(c1)C[NH2+]CC4)CCC3 ZINC000026578408 178294047 /nfs/dbraw/zinc/29/40/47/178294047.db2.gz CEQIGJXBXWLXPJ-UHFFFAOYSA-N 1 0 226.323 2.542 1 0 BFAFRO Cc1ccccc1OC1=CC[N@H+](C)CC1 ZINC000013603038 179309758 /nfs/dbraw/zinc/30/97/58/179309758.db2.gz AYLNWCAKXDPUDM-UHFFFAOYSA-N 1 0 203.285 2.593 1 0 BFAFRO Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2C[NH2+]3)cn1 ZINC000028455843 180584307 /nfs/dbraw/zinc/58/43/07/180584307.db2.gz VFQOGPACCHRZIN-FBIMIBRVSA-N 1 0 222.719 2.591 1 0 BFAFRO CC1(C)Cc2c(Cl)cccc2C[N+]1=O ZINC000034502804 187766710 /nfs/dbraw/zinc/76/67/10/187766710.db2.gz BLRXELABUAQKGI-UHFFFAOYSA-N 1 0 209.676 2.604 1 0 BFAFRO C[n+]1cccc2sc3ccccc3c21 ZINC000028642446 188110232 /nfs/dbraw/zinc/11/02/32/188110232.db2.gz NFCUJQNRWADQMN-UHFFFAOYSA-N 1 0 200.286 2.879 1 0 BFAFRO C(=C1\CCC2=[NH+]CCCN21)\c1ccccc1 ZINC000114634126 188153686 /nfs/dbraw/zinc/15/36/86/188153686.db2.gz CFUYSDDKCDEGRB-ACCUITESSA-N 1 0 212.296 2.926 1 0 BFAFRO Nc1ccc([C@H]2C3CCC(CC3)[C@@H]2C[NH3+])cc1 ZINC000028003906 181455587 /nfs/dbraw/zinc/45/55/87/181455587.db2.gz PXLQESYVKGYUPE-RLNQVHQUSA-N 1 0 230.355 2.747 1 0 BFAFRO OC12C[C@H]3CC(C[C@H](C3)C1)[N@@H+]2Cc1ccccc1 ZINC000072105237 183024162 /nfs/dbraw/zinc/02/41/62/183024162.db2.gz MJNYRQGREJARAA-PJPHBNEVSA-N 1 0 243.350 2.770 1 0 BFAFRO CCC[NH+](CCC)[C@@H]1CCn2c(C=O)ccc2C1 ZINC000013642122 169151362 /nfs/dbraw/zinc/15/13/62/169151362.db2.gz RIOOLQVLOZQLQJ-CYBMUJFWSA-N 1 0 248.370 2.737 1 0 BFAFRO CCC[NH2+][C@H]1Cc2cc(OC)ccc2C[C@H]1C ZINC000029488950 169292645 /nfs/dbraw/zinc/29/26/45/169292645.db2.gz YXUBHKBRUDGXPC-ABAIWWIYSA-N 1 0 233.355 2.798 1 0 BFAFRO CCC[C@@H](C(=O)c1ccc(N)cc1)[NH+]1CCCC1 ZINC000042920392 169346995 /nfs/dbraw/zinc/34/69/95/169346995.db2.gz DUNXFOYJTLLKNQ-AWEZNQCLSA-N 1 0 246.354 2.716 1 0 in-vivo BFAFRO C(=C\c1ccccc1)\CC[NH2+]CCc1c[nH]cn1 ZINC000029403614 166227999 /nfs/dbraw/zinc/22/79/99/166227999.db2.gz SITVPGHFCGFCRO-YWEYNIOJSA-N 1 0 241.338 2.645 1 0 BFAFRO CC(C)(C)[NH2+]CC1=CC(C)(C)N(O)C1(C)C ZINC000101978256 166629557 /nfs/dbraw/zinc/62/95/57/166629557.db2.gz KNAQOOTYKNMYSB-UHFFFAOYSA-N 1 0 225.356 2.519 1 0 BFAFRO CC(C)[NH2+][C@@H]1CCCC[C@H]2c3ccccc3[C@]21O ZINC000017220259 167134717 /nfs/dbraw/zinc/13/47/17/167134717.db2.gz JYLTYLGMYCSVSD-XHSDSOJGSA-N 1 0 245.366 2.912 1 0 BFAFRO CC1=CC[C@H]([C@H](C)CCN2CC[NH2+]CC2)CC1 ZINC000049068754 168121560 /nfs/dbraw/zinc/12/15/60/168121560.db2.gz DUWYIKDUIZWFBL-CABCVRRESA-N 1 0 236.403 2.664 1 0 BFAFRO CC1CC[NH+](C[C@H]2Cc3ccccc3C2=O)CC1 ZINC000013449581 168182642 /nfs/dbraw/zinc/18/26/42/168182642.db2.gz FBFCEJZVMXVAGL-CQSZACIVSA-N 1 0 243.350 2.774 1 0 BFAFRO CCc1nc2cc3c(cc2o1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000028526486 172011727 /nfs/dbraw/zinc/01/17/27/172011727.db2.gz WJCOITLYDIUVCM-DTWKUNHWSA-N 1 0 228.295 2.564 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@@H]1CCc2cc(O)ccc2O1 ZINC000013471344 173009015 /nfs/dbraw/zinc/00/90/15/173009015.db2.gz OYMKMVHQLKXIBG-ZFWWWQNUSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@H+]1C[C@H]2C=C(c3cncc(F)c3)C[C@H](C2)C1 ZINC000095574492 173188521 /nfs/dbraw/zinc/18/85/21/173188521.db2.gz ZMEGTXPZASMCHV-MNOVXSKESA-N 1 0 232.302 2.576 1 0 BFAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]2c1ccc(Cl)nc1 ZINC000013479024 173207158 /nfs/dbraw/zinc/20/71/58/173207158.db2.gz HLNPMOXPJPCMLY-HBNTYKKESA-N 1 0 222.719 2.685 1 0 BFAFRO C[NH+]=C1Nc2ccc(Cl)c(Cl)c2[C@@H](C)N1 ZINC000029131609 173321955 /nfs/dbraw/zinc/32/19/55/173321955.db2.gz QZNXPVYAMUSJAD-RXMQYKEDSA-N 1 0 244.125 2.865 1 0 BFAFRO C[NH2+]C12C[C@H]3CC(C[C@@H](C1)c1ccccc13)O2 ZINC000045337906 173322000 /nfs/dbraw/zinc/32/20/00/173322000.db2.gz WNODDIJNLNFNKE-QOARYFPJSA-N 1 0 229.323 2.756 1 0 BFAFRO COc1ccc2[nH]cc(C3=CCC[NH2+]C3)c2c1 ZINC000026744357 175202047 /nfs/dbraw/zinc/20/20/47/175202047.db2.gz WBJMGSVSSCEGFV-UHFFFAOYSA-N 1 0 228.295 2.553 1 0 BFAFRO COc1ccc2[nH]cc([C@H]3CC[N@H+](C)C3)c2c1 ZINC000013801321 175202637 /nfs/dbraw/zinc/20/26/37/175202637.db2.gz ISLZNKXLIRVSJS-JTQLQIEISA-N 1 0 230.311 2.596 1 0 BFAFRO COc1ccc2c(c1)[C@H]1CC[N@@H+](C)C[C@@H]1CC2 ZINC000084688825 175217547 /nfs/dbraw/zinc/21/75/47/175217547.db2.gz FEUJDFQHFVSOTK-JSGCOSHPSA-N 1 0 231.339 2.677 1 0 BFAFRO COc1cccc(C(=O)[C@H](C)[NH2+]C2CCCC2)c1 ZINC000045339552 175246864 /nfs/dbraw/zinc/24/68/64/175246864.db2.gz ZMRXSORFBXMBCB-NSHDSACASA-N 1 0 247.338 2.799 1 0 in-vivo BFAFRO COc1cccc([C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C[NH3+])c1 ZINC000027997823 175296440 /nfs/dbraw/zinc/29/64/40/175296440.db2.gz LHKRTBGXNVJRCO-MMMKDXCPSA-N 1 0 231.339 2.784 1 0 BFAFRO C[C@H]1CCC[C@H]2Cc3ccccc3[C@@]21[NH3+] ZINC000036294401 177143460 /nfs/dbraw/zinc/14/34/60/177143460.db2.gz SEIXOAIDAGGEFF-JKOKRWQUSA-N 1 0 201.313 2.833 1 0 BFAFRO C[C@H]1C[C@H]2Cc3ncccc3[C@]3(C1)[NH2+]CCC[C@H]23 ZINC000086020848 560066082 /nfs/dbraw/zinc/06/60/82/560066082.db2.gz JJPMUZRSJKMFRK-BCUIYNNISA-N 1 0 242.366 2.879 1 0 biogenic,in-vitro BFAFRO C[C@H]1C[C@H]2Cc3ncccc3[C@]3(C1)[NH2+]CCC[C@@H]23 ZINC000085511738 560073739 /nfs/dbraw/zinc/07/37/39/560073739.db2.gz JJPMUZRSJKMFRK-WFGGJUAMSA-N 1 0 242.366 2.879 1 0 biogenic,in-vitro BFAFRO CCc1[nH+]c(N)nc(N)c1-c1cccc(Cl)c1 ZINC000013472716 581094009 /nfs/dbraw/zinc/09/40/09/581094009.db2.gz KYIIICAIZHTXJE-UHFFFAOYSA-N 1 0 248.717 2.524 1 0 BFAFRO Cc1cc2c3ccccc3[nH]c2c(CC[NH3+])n1 ZINC000043022892 178282408 /nfs/dbraw/zinc/28/24/08/178282408.db2.gz XQZALXCDRFCRTM-UHFFFAOYSA-N 1 0 225.295 2.526 1 0 BFAFRO Clc1cccc2c1C[C@@H](C[C@H]1C[NH+]=CN1)CC2 ZINC000013862095 180593048 /nfs/dbraw/zinc/59/30/48/180593048.db2.gz BMPZSZPBZNKNFC-PWSUYJOCSA-N 1 0 248.757 2.835 1 0 BFAFRO C1[NH2+]CC23CC45CC12CC4(C3)CCCC5 ZINC000103283774 187803581 /nfs/dbraw/zinc/80/35/81/187803581.db2.gz RMIKVZAHLJJLJN-UHFFFAOYSA-N 1 0 203.329 2.710 1 0 BFAFRO [NH2+]=C1N[C@@H](c2ccc(F)cc2)Cc2ccccc21 ZINC000003959790 181339525 /nfs/dbraw/zinc/33/95/25/181339525.db2.gz KWMGDJOVVNCHIR-CQSZACIVSA-N 1 0 240.281 2.828 1 0 BFAFRO CCCC[C@H]1[C@H](O)CCC[C@@]12CCCC[NH2+]2 ZINC000028005292 169015235 /nfs/dbraw/zinc/01/52/35/169015235.db2.gz YJEQGBHTTODACM-MJBXVCDLSA-N 1 0 225.376 2.850 1 0 BFAFRO O[C@@]12CCCC[C@@H]1[C@@H](c1ccccc1)[NH2+]CC2 ZINC000005999554 183218211 /nfs/dbraw/zinc/21/82/11/183218211.db2.gz NRCWMRBKHVZROJ-RBSFLKMASA-N 1 0 231.339 2.642 1 0 BFAFRO O[C@H]1C[C@@H](c2ccco2)[NH2+]C2(CCCCC2)C1 ZINC000000335501 183247662 /nfs/dbraw/zinc/24/76/62/183247662.db2.gz AIQYSLMWCIICFG-RYUDHWBXSA-N 1 0 235.327 2.768 3 0 BFAFRO CCC[N@H+](CC)[C@H]1CCc2c(O)cccc2C1 ZINC000039249744 169131807 /nfs/dbraw/zinc/13/18/07/169131807.db2.gz YATHGSRZXANWKR-ZDUSSCGKSA-N 1 0 233.355 2.981 1 0 BFAFRO CCC[N@@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@@H]21 ZINC000011680762 169199095 /nfs/dbraw/zinc/19/90/95/169199095.db2.gz GSLWRDKYYIQKIM-OCCSQVGLSA-N 1 0 247.338 2.743 1 0 in-man BFAFRO CCC[N@@H+]1CC[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000000022280 169207143 /nfs/dbraw/zinc/20/71/43/169207143.db2.gz LJDRQPOQHHOXHM-HIFRSBDPSA-N 1 0 231.339 2.906 3 0 BFAFRO CCC[NH2+][C@H](C)C(=O)c1cccc(Cl)c1 ZINC000045245762 169286264 /nfs/dbraw/zinc/28/62/64/169286264.db2.gz PJSOCXYIJJIWHO-SECBINFHSA-N 1 0 225.719 2.911 1 0 in-vitro BFAFRO c1ccc2c(c1)Cc1cccc3c1[C@@H]2C[NH2+]C3 ZINC000013473107 183451403 /nfs/dbraw/zinc/45/14/03/183451403.db2.gz HRGBJIPOLZMPKG-OAHLLOKOSA-N 1 0 221.303 2.826 1 0 BFAFRO CC(C)c1ccc2c(c1)C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743754 167623639 /nfs/dbraw/zinc/62/36/39/167623639.db2.gz GBFJMFDOINWNCM-OAHLLOKOSA-N 1 0 228.339 2.669 1 0 BFAFRO CC[N@H+]1CCc2cc3ccccc3n2CC1 ZINC000013535375 170025570 /nfs/dbraw/zinc/02/55/70/170025570.db2.gz IVJKWFBLKKLOKL-UHFFFAOYSA-N 1 0 214.312 2.519 1 0 BFAFRO CC[C@@]12CC[N@H+](C)C[C@]1(C)Oc1ccc(O)cc12 ZINC000026293222 171218058 /nfs/dbraw/zinc/21/80/58/171218058.db2.gz JLIYLESQEZRJMX-GJZGRUSLSA-N 1 0 247.338 2.527 1 0 BFAFRO CC[C@H](C)[C@@H](CN)[NH2+]CC1(c2ccccc2)CC1 ZINC000036389277 171368383 /nfs/dbraw/zinc/36/83/83/171368383.db2.gz CDOWYTWQQBRABK-DZGCQCFKSA-N 1 0 246.398 2.681 3 0 BFAFRO C[NH+](C)C[C@H]1C[C@@H]1c1cncc2ccccc21 ZINC000028960180 172499634 /nfs/dbraw/zinc/49/96/34/172499634.db2.gz LOCUTCDCZZSFNM-OCCSQVGLSA-N 1 0 226.323 2.900 1 0 BFAFRO C[N@@H+]1CCCC[C@@H]1CC(=O)c1cccs1 ZINC000013554216 173005171 /nfs/dbraw/zinc/00/51/71/173005171.db2.gz KNONMNIXSVWCFB-SNVBAGLBSA-N 1 0 223.341 2.805 1 0 BFAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2cc(O)ccc12 ZINC000027418281 173035065 /nfs/dbraw/zinc/03/50/65/173035065.db2.gz FQBIMXGNFGCBJM-LLVKDONJSA-N 1 0 230.311 2.510 1 0 BFAFRO C[N@@H+]1CCC[C@@]2(c3cccc(O)c3)CC[C@@H]1C2 ZINC000029308852 173038291 /nfs/dbraw/zinc/03/82/91/173038291.db2.gz RLQLFFYFXSNPRZ-UKRRQHHQSA-N 1 0 231.339 2.908 1 0 BFAFRO C[N@@H+]1CCC[C@H]1c1cc2ncccc2o1 ZINC000003827980 173060042 /nfs/dbraw/zinc/06/00/42/173060042.db2.gz BJFLPKJLIFUESE-JTQLQIEISA-N 1 0 202.257 2.595 1 0 BFAFRO C[N@@H+]1CCc2c3c(ccc2Cl)CC[C@@H]3C1 ZINC000027713550 173167711 /nfs/dbraw/zinc/16/77/11/173167711.db2.gz HSVQHQJUIUIWCQ-SNVBAGLBSA-N 1 0 221.731 2.858 1 0 BFAFRO C[N@@H+]1C[C@H]2CC(c3cncc(F)c3)=C[C@H](C2)C1 ZINC000169294576 173188037 /nfs/dbraw/zinc/18/80/37/173188037.db2.gz ZMEGTXPZASMCHV-WDEREUQCSA-N 1 0 232.302 2.576 1 0 BFAFRO C[NH2+]C[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 ZINC000029128680 173378537 /nfs/dbraw/zinc/37/85/37/173378537.db2.gz OSJBPKOZISTQCO-HIFRSBDPSA-N 1 0 249.354 2.644 1 0 BFAFRO COc1ccc(C2=CC=[N+](C3CC3)CC2)cc1 ZINC000027193168 175085230 /nfs/dbraw/zinc/08/52/30/175085230.db2.gz OKOGDOCHRCGYDL-UHFFFAOYSA-N 1 0 228.315 2.728 1 0 BFAFRO COc1ccc2c(c1)[C@@H]1C[C@H]2[NH2+]CCC1 ZINC000027525770 175217461 /nfs/dbraw/zinc/21/74/61/175217461.db2.gz UQJJRYFXFFOINV-TVQRCGJNSA-N 1 0 203.285 2.607 1 0 BFAFRO COc1cccc2c1CCC[C@@]21CC[N@H+](C)C1 ZINC000027744953 175301122 /nfs/dbraw/zinc/30/11/22/175301122.db2.gz ZEUWOUFMHOYFEH-HNNXBMFYSA-N 1 0 231.339 2.605 1 0 BFAFRO C[C@@H]1CC(OC(=O)c2ccccc2)C[C@@H](C)[NH+]1C ZINC000005559711 176056263 /nfs/dbraw/zinc/05/62/63/176056263.db2.gz VTLHUCDLENWPBT-VXGBXAGGSA-N 1 0 247.338 2.715 3 0 BFAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc(N(C)C)cc1 ZINC000029131443 176108445 /nfs/dbraw/zinc/10/84/45/176108445.db2.gz KKFGTYGYVFMBON-CYBMUJFWSA-N 1 0 232.371 2.779 1 0 BFAFRO C[C@@H]1[NH2+][C@@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@@H]12 ZINC000169372545 176462904 /nfs/dbraw/zinc/46/29/04/176462904.db2.gz FMBYQEIJDWNYNT-AWIACXBESA-N 1 0 228.339 2.815 1 0 BFAFRO C[C@H]1C[N@H+](C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)C2 ZINC000029484223 177239510 /nfs/dbraw/zinc/23/95/10/177239510.db2.gz WRTHKCNGTIHYHI-NVBFEUDRSA-N 1 0 231.339 2.546 1 0 BFAFRO C[C@]1([NH+]2CCCCC2)c2ccccc2CC[C@H]1O ZINC000028767738 177467726 /nfs/dbraw/zinc/46/77/26/177467726.db2.gz RKIZBVCWHHPLCS-CVEARBPZSA-N 1 0 245.366 2.695 1 0 BFAFRO Cc1nc2cc3c(cc2s1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028526248 180087487 /nfs/dbraw/zinc/08/74/87/180087487.db2.gz HPWMUPCSPGRYGY-BDAKNGLRSA-N 1 0 230.336 2.779 1 0 BFAFRO C[N+]1=CC=N[C@@H]1/C=C/c1cccc2ccccc12 ZINC000028224225 188110412 /nfs/dbraw/zinc/11/04/12/188110412.db2.gz MJWPZUSBWAWVKC-SCOAYWHSSA-N 1 0 235.310 2.977 1 0 BFAFRO NC(=[NH2+])Nc1ccc(Cc2ccccc2)cc1 ZINC000013858910 181190638 /nfs/dbraw/zinc/19/06/38/181190638.db2.gz XMDQDPWQAWHNDK-UHFFFAOYSA-N 1 0 225.295 2.583 1 0 BFAFRO [NH3+]C/C=C(/F)COc1ccc(C(F)(F)F)cc1 ZINC000084653366 181324573 /nfs/dbraw/zinc/32/45/73/181324573.db2.gz YJEMLXGENHRZMS-WEVVVXLNSA-N 1 0 249.207 2.896 1 0 BFAFRO [NH3+]C/C=C(/F)COc1cccc(C(F)(F)F)c1 ZINC000084758381 181324649 /nfs/dbraw/zinc/32/46/49/181324649.db2.gz OWBAPWDINBFKSK-RUDMXATFSA-N 1 0 249.207 2.896 1 0 BFAFRO [NH2+]=C1N[C@H](c2ccccc2F)Cc2ccccc21 ZINC000025976124 181338968 /nfs/dbraw/zinc/33/89/68/181338968.db2.gz XVFZTEAZCMAZMP-AWEZNQCLSA-N 1 0 240.281 2.828 1 0 BFAFRO Nc1ccc([C@@H]2C3CCC(CC3)[C@H]2C[NH3+])cc1 ZINC000028003915 181427114 /nfs/dbraw/zinc/42/71/14/181427114.db2.gz PXLQESYVKGYUPE-FBDPFYNOSA-N 1 0 230.355 2.747 1 0 BFAFRO O=c1c2ccccc2cc2n1[C@H]1CCCC[C@H]1[NH2+]2 ZINC000102013592 182989337 /nfs/dbraw/zinc/98/93/37/182989337.db2.gz XXEFUOMEJQJRAP-OLZOCXBDSA-N 1 0 240.306 2.911 1 0 BFAFRO O[C@H]1CCC2=C(C[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000169328686 183230159 /nfs/dbraw/zinc/23/01/59/183230159.db2.gz YRDSGPROQBZPFV-WFASDCNBSA-N 1 0 235.371 2.724 1 0 BFAFRO CCC[NH+](CCC)[C@@H]1Cc2cc(O)cc(O)c2C1 ZINC000040504239 169151272 /nfs/dbraw/zinc/15/12/72/169151272.db2.gz SBCBZNIMFWSCIN-GFCCVEGCSA-N 1 0 249.354 2.687 1 0 BFAFRO CCC[N@@H+]1CCO[C@H]2c3ccsc3CC[C@@H]21 ZINC000026822556 169205344 /nfs/dbraw/zinc/20/53/44/169205344.db2.gz GRHVCLHQXSTVGR-AAEUAGOBSA-N 1 0 237.368 2.846 1 0 BFAFRO c1c[nH]c(-c2ccc3c(c2)[C@@H]2C[C@H]3C[NH2+]C2)c1 ZINC000028527657 183322905 /nfs/dbraw/zinc/32/29/05/183322905.db2.gz IVLQQMFRRZESBS-NWDGAFQWSA-N 1 0 224.307 2.856 1 0 BFAFRO CCC[NH2+][C@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000029213334 169292241 /nfs/dbraw/zinc/29/22/41/169292241.db2.gz PSNOMAGNYXMJBT-NSHDSACASA-N 1 0 249.354 2.561 1 0 BFAFRO CC[NH2+][C@H]1CCCc2nc3ccccc3c(N)c21 ZINC000000011458 170167123 /nfs/dbraw/zinc/16/71/23/170167123.db2.gz ASJZMSBXFBKBDW-LBPRGKRZSA-N 1 0 241.338 2.804 1 0 BFAFRO C[NH+]1CCC2(CCc3ccccc3C2=O)CC1 ZINC000013734368 173002996 /nfs/dbraw/zinc/00/29/96/173002996.db2.gz VZOGQOMJBKUSDY-UHFFFAOYSA-N 1 0 229.323 2.528 1 0 BFAFRO C[N@@H+]1CCC23C[C@H]4CC(C[C@H](C4)C2)[C@@H]3C1 ZINC000040981218 173003344 /nfs/dbraw/zinc/00/33/44/173003344.db2.gz YXIUYPRXQHZXHQ-VZANTVGXSA-N 1 0 205.345 2.764 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1 ZINC000013471342 173010080 /nfs/dbraw/zinc/01/00/80/173010080.db2.gz BWEKAFCCTNIBFD-KBPBESRZSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1CCC[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000026834156 173062206 /nfs/dbraw/zinc/06/22/06/173062206.db2.gz NNDATQSUZGLGQT-SMDDNHRTSA-N 1 0 226.323 2.902 1 0 BFAFRO C[N@H+]1[C@@H]2CC[C@H]1CC=C2c1ccc(Cl)nc1 ZINC000026173582 173205261 /nfs/dbraw/zinc/20/52/61/173205261.db2.gz PWTGETLSBCHUOY-ZYHUDNBSSA-N 1 0 234.730 2.985 1 0 BFAFRO C[NH2+][C@@]12CCCC[C@H]1CCc1ccc(O)cc12 ZINC000026152923 173441808 /nfs/dbraw/zinc/44/18/08/173441808.db2.gz NUNUKMHQMWIAIX-WFASDCNBSA-N 1 0 231.339 2.943 1 0 BFAFRO COc1cccc(C(=O)[C@@H](C)[NH2+]C(C)(C)C)c1 ZINC000045385790 175247672 /nfs/dbraw/zinc/24/76/72/175247672.db2.gz DGQVZUDAKWRJPY-SNVBAGLBSA-N 1 0 235.327 2.655 1 0 BFAFRO COc1cccc2c1CCC[C@]21CC[N@H+](C)C1 ZINC000027744961 175301002 /nfs/dbraw/zinc/30/10/02/175301002.db2.gz ZEUWOUFMHOYFEH-OAHLLOKOSA-N 1 0 231.339 2.605 1 0 BFAFRO C[C@@H]1c2ccccc2CC[C@@H]1CC1=[NH+]CCN1 ZINC000029252269 176505174 /nfs/dbraw/zinc/50/51/74/176505174.db2.gz MEZACYPXNIKTMX-WCQYABFASA-N 1 0 228.339 2.744 1 0 BFAFRO C[C@@]1(C[C@@H]2C[NH+]=CN2)CCc2ccccc2C1 ZINC000013862144 176534809 /nfs/dbraw/zinc/53/48/09/176534809.db2.gz FSAVOJFESJPQEK-HUUCEWRRSA-N 1 0 228.339 2.572 1 0 BFAFRO C[C@H]1c2ccccc2NC(=O)N1CCC[NH+](C)C ZINC000013553548 177439063 /nfs/dbraw/zinc/43/90/63/177439063.db2.gz GRLWYANVXMOQSP-NSHDSACASA-N 1 0 247.342 2.547 1 0 BFAFRO Cc1cccc(C)c1C(=O)OC1CC[NH+](C)CC1 ZINC000029323763 179033835 /nfs/dbraw/zinc/03/38/35/179033835.db2.gz XHHPLKJJNYVZFY-UHFFFAOYSA-N 1 0 247.338 2.554 1 0 BFAFRO Cc1cccc(C)c1NC(=O)NC1=CCC[N@H+]1C ZINC000104641220 179041520 /nfs/dbraw/zinc/04/15/20/179041520.db2.gz NVLYEUVHRBEXNK-UHFFFAOYSA-N 1 0 245.326 2.602 1 0 BFAFRO Cc1cnc2cc3c(cc2c1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028527964 179657448 /nfs/dbraw/zinc/65/74/48/179657448.db2.gz NUFWCVUEIDICOH-NWDGAFQWSA-N 1 0 224.307 2.717 1 0 BFAFRO C[C@H]1CCCCCCCN2C=[N+](CCC2)C1 ZINC000049547650 188124296 /nfs/dbraw/zinc/12/42/96/188124296.db2.gz RRYZSUIWWKSJNC-AWEZNQCLSA-N 1 0 223.384 2.723 1 0 BFAFRO FC(F)(F)c1ccc([C@@]23C[C@@H]2C[NH2+]C3)s1 ZINC000040980995 180893201 /nfs/dbraw/zinc/89/32/01/180893201.db2.gz CRMGHEJTXVVOGH-HZGVNTEJSA-N 1 0 233.258 2.628 1 0 BFAFRO [NH3+]C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC000013795174 181439537 /nfs/dbraw/zinc/43/95/37/181439537.db2.gz GELSJFZDHVLESJ-RFGFWPKPSA-N 1 0 201.313 2.775 1 0 BFAFRO CCC[NH+](CCC)[C@H]1CCn2ccc(C=O)c2C1 ZINC000013642119 169152007 /nfs/dbraw/zinc/15/20/07/169152007.db2.gz VELJFQQYEQHBOB-AWEZNQCLSA-N 1 0 248.370 2.737 1 0 BFAFRO CCC[NH+](CCC)[C@H]1CCn2c(C=O)ccc2C1 ZINC000013642125 169152832 /nfs/dbraw/zinc/15/28/32/169152832.db2.gz RIOOLQVLOZQLQJ-ZDUSSCGKSA-N 1 0 248.370 2.737 1 0 BFAFRO CCCN1c2cc(C)c(C)cc2N2CC[NH+]=C12 ZINC000002473788 169185712 /nfs/dbraw/zinc/18/57/12/169185712.db2.gz NGDGIMXNKWNHGO-UHFFFAOYSA-N 1 0 229.327 2.709 3 0 BFAFRO CCC[N@@H+]1CC[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000026006261 169207000 /nfs/dbraw/zinc/20/70/00/169207000.db2.gz SHOJVFLWKSRVPH-OCCSQVGLSA-N 1 0 231.339 2.906 1 0 BFAFRO c1cc(-c2ccccc2OCc2c[nH]cn2)on1 ZINC000013860599 183381406 /nfs/dbraw/zinc/38/14/06/183381406.db2.gz SZASDYKMOXPMCV-UHFFFAOYSA-N 1 0 241.250 2.644 1 0 BFAFRO c1ccc(C[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000037623993 183409174 /nfs/dbraw/zinc/40/91/74/183409174.db2.gz YWLRVKNQQQOFJH-CQSZACIVSA-N 1 0 201.313 2.571 1 0 BFAFRO CCC[NH2+][C@@H]1CCc2c(O)c(C)ccc2C1 ZINC000027860321 169282837 /nfs/dbraw/zinc/28/28/37/169282837.db2.gz QBQZYWZPEHRKCJ-GFCCVEGCSA-N 1 0 219.328 2.558 1 0 BFAFRO [NH3+]CCCCc1ccc(N2CCCCC2)cc1 ZINC000033866352 132336271 /nfs/dbraw/zinc/33/62/71/132336271.db2.gz XWMFJKRCAWQHTR-UHFFFAOYSA-N 1 0 232.371 2.958 1 0 BFAFRO CC(C)[NH2+][C@H]1CCCC[C@@H]2c3ccccc3[C@]21O ZINC000017220257 167139640 /nfs/dbraw/zinc/13/96/40/167139640.db2.gz JYLTYLGMYCSVSD-PMPSAXMXSA-N 1 0 245.366 2.912 1 0 BFAFRO CC[C@@]1(c2ccccc2)OCC[C@@H](CCC[NH3+])O1 ZINC000071294701 171216293 /nfs/dbraw/zinc/21/62/93/171216293.db2.gz LKZMPSJBBSQFBB-HUUCEWRRSA-N 1 0 249.354 2.794 1 0 BFAFRO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3F)c2C1 ZINC000039214023 172531013 /nfs/dbraw/zinc/53/10/13/172531013.db2.gz YDZUITAQDVNOEJ-SECBINFHSA-N 1 0 232.302 2.726 1 0 BFAFRO C[N@@H+]1CCC[C@@]12CCc1ccccc1C2 ZINC000169315951 173038646 /nfs/dbraw/zinc/03/86/46/173038646.db2.gz YKAGSHHKHLFNHK-AWEZNQCLSA-N 1 0 201.313 2.640 1 0 BFAFRO C[N@@H+]1CC[C@]2(c3cccc(O)c3)CC=CC[C@H]2C1 ZINC000013650193 173167111 /nfs/dbraw/zinc/16/71/11/173167111.db2.gz FPQCPOYRDZPILW-HOCLYGCPSA-N 1 0 243.350 2.932 1 0 BFAFRO C[N@@H+]1C[C@@H]2CC[C@H](C1)C2c1ccccc1 ZINC000013494195 173196667 /nfs/dbraw/zinc/19/66/67/173196667.db2.gz PCIZKUQSMBPAAB-PBWFPOADSA-N 1 0 201.313 2.742 1 0 BFAFRO C[N@@H+]1C[C@H]2c3c(N)cccc3[C@@H]1[C@@H]1CCC[C@@H]12 ZINC000169314489 173200012 /nfs/dbraw/zinc/20/00/12/173200012.db2.gz JOOBQJINBSHFNJ-MAWWSGROSA-N 1 0 228.339 2.769 1 0 BFAFRO C[NH2+]C/C=C(/c1ccc(F)cc1)c1cccnc1 ZINC000029317271 173321021 /nfs/dbraw/zinc/32/10/21/173321021.db2.gz YANMJSIUFVFKQR-NVNXTCNLSA-N 1 0 242.297 2.872 1 0 BFAFRO C[NH2+][C@@]12CCCC[C@H]1Cc1cc(OC)ccc12 ZINC000027742087 173441340 /nfs/dbraw/zinc/44/13/40/173441340.db2.gz OZGFUUQXLIIVPN-WFASDCNBSA-N 1 0 231.339 2.856 1 0 BFAFRO COc1cc2c(cc1Cl)CC[NH2+]C[C@@H]2C ZINC000028964477 175021125 /nfs/dbraw/zinc/02/11/25/175021125.db2.gz JIFVFWNAYPDOBY-QMMMGPOBSA-N 1 0 225.719 2.598 1 0 BFAFRO COc1cc2cc[nH+]c3ccn(C)c(c1OC)c23 ZINC000013223255 175027259 /nfs/dbraw/zinc/02/72/59/175027259.db2.gz FTAOPPTXDMFPFY-UHFFFAOYSA-N 1 0 242.278 2.744 1 0 BFAFRO COc1ccc2c(c1)[C@@]1([NH3+])CC=CC[C@H]1CC2 ZINC000013831973 175215483 /nfs/dbraw/zinc/21/54/83/175215483.db2.gz QBQJGSVGTBUOKQ-SWLSCSKDSA-N 1 0 229.323 2.762 1 0 BFAFRO COc1ccc2c(c1)[C@H]1C[C@@H]2[NH2+]CCC1 ZINC000027525768 175215629 /nfs/dbraw/zinc/21/56/29/175215629.db2.gz UQJJRYFXFFOINV-RNCFNFMXSA-N 1 0 203.285 2.607 1 0 BFAFRO COc1cccc(C(=O)[C@H](C)[NH2+]C(C)(C)C)c1 ZINC000045385787 175246904 /nfs/dbraw/zinc/24/69/04/175246904.db2.gz DGQVZUDAKWRJPY-JTQLQIEISA-N 1 0 235.327 2.655 1 0 BFAFRO C[C@@H]1C[NH2+]CCc2ccc(C(F)(F)F)cc21 ZINC000028127765 176329286 /nfs/dbraw/zinc/32/92/86/176329286.db2.gz GBYLNYMTYZRQLE-MRVPVSSYSA-N 1 0 229.245 2.955 1 0 BFAFRO C[C@H]([NH3+])Cn1ccc2ccc3cnccc3c21 ZINC000000025579 176763249 /nfs/dbraw/zinc/76/32/49/176763249.db2.gz DBBQAOGBHMWNBA-JTQLQIEISA-N 1 0 225.295 2.537 1 0 BFAFRO C[C@H]1C[C@]2(C)C[C@@H](Cc3ccc(O)cc32)[N@@H+]1C ZINC000029483444 177387784 /nfs/dbraw/zinc/38/77/84/177387784.db2.gz BTVUINDNYSENMC-JVLSTEMRSA-N 1 0 231.339 2.689 1 0 BFAFRO C[C@H]1C[C@H]2C[C@@H](O)[C@@H]3CCC[N@@H+]4CCC[C@H]2[C@]34C1 ZINC000085491213 560075347 /nfs/dbraw/zinc/07/53/47/560075347.db2.gz ICWQJNDZXVMLCK-RWHKXBQASA-N 1 0 249.398 2.658 1 0 biogenic,in-vitro BFAFRO C[N@@H+]1CCC[C@@H]1C[C@H](O)/C=C/c1ccccc1 ZINC000013431897 560216662 /nfs/dbraw/zinc/21/66/62/560216662.db2.gz RIYVUZHFPDAAIC-SXKCSBRWSA-N 1 0 231.339 2.545 1 0 biogenic,in-vitro BFAFRO O=[N+]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1O ZINC000006582248 187759233 /nfs/dbraw/zinc/75/92/33/187759233.db2.gz LDRQOYYTPNOGKX-OKILXGFUSA-N 1 0 240.262 2.955 1 0 BFAFRO FC(F)(F)c1cccc2c1[C@@H]1C[C@H]2C[NH2+]C1 ZINC000028527665 180895402 /nfs/dbraw/zinc/89/54/02/180895402.db2.gz YLTIOICAHCAKID-JGVFFNPUSA-N 1 0 227.229 2.880 1 0 BFAFRO C1=[NH+]C[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1 ZINC000013916615 188460292 /nfs/dbraw/zinc/46/02/92/188460292.db2.gz BAMMEMQIAYAJNE-OWCLPIDISA-N 1 0 240.350 2.572 1 0 BFAFRO N=C1C[N+](CC23CC4CC(CC(C4)C2)C3)=NO1 ZINC000071928344 181206803 /nfs/dbraw/zinc/20/68/03/181206803.db2.gz DUTLAODPMODWGK-UHFFFAOYSA-N 1 0 234.323 2.590 1 0 BFAFRO [NH2+]=C1SCCCN1Cc1ccc(Cl)nc1 ZINC000013798225 181207669 /nfs/dbraw/zinc/20/76/69/181207669.db2.gz WTXOYJSHACXCAI-UHFFFAOYSA-N 1 0 241.747 2.609 1 0 BFAFRO [NH2+]=C1N[C@H](c2cccc(F)c2)Cc2ccccc21 ZINC000025975160 181339217 /nfs/dbraw/zinc/33/92/17/181339217.db2.gz KLWZVSPGLUAFIN-AWEZNQCLSA-N 1 0 240.281 2.828 1 0 BFAFRO CCCC[C@@H]1[C@H](O)CCC[C@@]12CCCC[NH2+]2 ZINC000028005288 168976872 /nfs/dbraw/zinc/97/68/72/168976872.db2.gz YJEQGBHTTODACM-MCIONIFRSA-N 1 0 225.376 2.850 1 0 BFAFRO ONC1=[NH+]c2ccccc2[C@H]2CCC[C@@H]12 ZINC000013817906 183172222 /nfs/dbraw/zinc/17/22/22/183172222.db2.gz PONJDAVGZDCHRI-PSASIEDQSA-N 1 0 202.257 2.593 1 0 BFAFRO CCC[N@H+](C)[C@H]1CCCc2ccncc21 ZINC000027196562 169088100 /nfs/dbraw/zinc/08/81/00/169088100.db2.gz XQNVAMDLGUDXMK-ZDUSSCGKSA-N 1 0 204.317 2.801 1 0 BFAFRO CCC[N@@H+]1CCC2=C(C1)c1nc(N)sc1CC2 ZINC000013824114 169191099 /nfs/dbraw/zinc/19/10/99/169191099.db2.gz MMQVSXNDUIHJLN-UHFFFAOYSA-N 1 0 249.383 2.541 1 0 BFAFRO CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC1=[NH+]CCC1)C2 ZINC000006576760 168010631 /nfs/dbraw/zinc/01/06/31/168010631.db2.gz YUSRZOLPOUXZON-COPLHBTASA-N 1 0 220.360 2.983 1 0 BFAFRO CC[C@@H]([NH3+])Cc1cc(OC)c(Cl)cc1OC ZINC000029345172 170866422 /nfs/dbraw/zinc/86/64/22/170866422.db2.gz DIVLTSLMCQXQCK-SECBINFHSA-N 1 0 243.734 2.637 1 0 BFAFRO CC[C@@]12CC[N@H+](C)[C@@H](Cc3ccc(O)cc31)[C@H]2C ZINC000031333694 171218181 /nfs/dbraw/zinc/21/81/81/171218181.db2.gz QGWPXULEDXWEKR-RLCCDNCMSA-N 1 0 245.366 2.936 1 0 BFAFRO CC[C@@]12CC[N@H+](C)[C@@H](Cc3ccc(O)cc31)[C@@H]2C ZINC000031333689 171218677 /nfs/dbraw/zinc/21/86/77/171218677.db2.gz QGWPXULEDXWEKR-UVBJJODRSA-N 1 0 245.366 2.936 1 0 BFAFRO CCc1cn(CCC[NH2+]C)nc1-c1ccccc1 ZINC000026578011 171906867 /nfs/dbraw/zinc/90/68/67/171906867.db2.gz SOLVKVOFNFYZHQ-UHFFFAOYSA-N 1 0 243.354 2.722 1 0 BFAFRO CCc1nc2cc3c(cc2o1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000028526487 172012755 /nfs/dbraw/zinc/01/27/55/172012755.db2.gz WJCOITLYDIUVCM-BDAKNGLRSA-N 1 0 228.295 2.564 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@H]1CCc2cccc(O)c2O1 ZINC000013471327 173009310 /nfs/dbraw/zinc/00/93/10/173009310.db2.gz JCNVDCJZLABBNW-GXTWGEPZSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1CC[C@@]2(c3ccc(O)cc3)CC[C@@H]1C2 ZINC000027850837 173140591 /nfs/dbraw/zinc/14/05/91/173140591.db2.gz GTUIXPUWWADVRZ-OCCSQVGLSA-N 1 0 217.312 2.518 1 0 BFAFRO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)cc2)C1 ZINC000027549803 173199471 /nfs/dbraw/zinc/19/94/71/173199471.db2.gz PPQBFAJGVREEGL-PWSUYJOCSA-N 1 0 207.704 2.543 1 0 BFAFRO C[N@H+]1[C@H]2C=C(c3cccnc3)C[C@@H]1CCC2 ZINC000000017479 173205637 /nfs/dbraw/zinc/20/56/37/173205637.db2.gz APTUPAXCDMGCCK-KGLIPLIRSA-N 1 0 214.312 2.722 1 0 BFAFRO C[NH2+]C1(c2ccccn2)C2CC3CC(C2)CC1C3 ZINC000064437063 173322286 /nfs/dbraw/zinc/32/22/86/173322286.db2.gz ZNQDRHNYMVUEHQ-UHFFFAOYSA-N 1 0 242.366 2.952 1 0 BFAFRO COCC[NH2+][C@@H](C)Cc1ccc(SC)cc1 ZINC000049018173 174338287 /nfs/dbraw/zinc/33/82/87/174338287.db2.gz MDSVGWNIKXFCMY-NSHDSACASA-N 1 0 239.384 2.576 1 0 BFAFRO COc1ccc(/C=C2/C[NH+]3CCC2CC3)cc1 ZINC000028819337 175048225 /nfs/dbraw/zinc/04/82/25/175048225.db2.gz SZNBTZJBXVMNDI-UVTDQMKNSA-N 1 0 229.323 2.804 1 0 BFAFRO COc1cccc([C@]23C[C@H](CCC2)[N@H+](C)C3)c1 ZINC000031983294 175291941 /nfs/dbraw/zinc/29/19/41/175291941.db2.gz ORHIDWGJUMDDCY-ZFWWWQNUSA-N 1 0 231.339 2.821 1 0 BFAFRO C[C@@]12CCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2[NH3+] ZINC000137933801 176549104 /nfs/dbraw/zinc/54/91/04/176549104.db2.gz YVNOYRSUGIWJKZ-TUKIKUTGSA-N 1 0 231.339 2.724 1 0 BFAFRO C[C@@H]1CC(OC(=O)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000005573540 177066370 /nfs/dbraw/zinc/06/63/70/177066370.db2.gz VTLHUCDLENWPBT-ONXXMXGDSA-N 1 0 247.338 2.715 1 0 BFAFRO Clc1cc(Cl)c([C@@]23C[C@@H]2C[NH2+]C3)s1 ZINC000040848200 180574686 /nfs/dbraw/zinc/57/46/86/180574686.db2.gz CSGVNYGGRSSQOB-MLUIRONXSA-N 1 0 234.151 2.916 1 0 BFAFRO CSc1ccc(C[C@@H](C)[NH+](C)C)cc1 ZINC000049018184 188124842 /nfs/dbraw/zinc/12/48/42/188124842.db2.gz NFRBJBFYUNQIQP-SNVBAGLBSA-N 1 0 209.358 2.901 1 0 in-vivo BFAFRO COc1ccc2[nH]c(C)c(C3=CC[NH2+]CC3)c2c1 ZINC000028526528 188465254 /nfs/dbraw/zinc/46/52/54/188465254.db2.gz ZQZWLJUKYOXRPN-UHFFFAOYSA-N 1 0 242.322 2.862 1 0 BFAFRO NC1=[NH+][C@@H](Cc2ccccc2)[C@H](C(F)(F)F)C1 ZINC000013781180 181338923 /nfs/dbraw/zinc/33/89/23/181338923.db2.gz UQPONPWAJJACRG-ZJUUUORDSA-N 1 0 242.244 2.537 1 0 BFAFRO NC1=[NH+][C@@H](Cc2ccccc2)[C@@H](C(F)(F)F)C1 ZINC000027199814 181339283 /nfs/dbraw/zinc/33/92/83/181339283.db2.gz UQPONPWAJJACRG-UWVGGRQHSA-N 1 0 242.244 2.537 1 0 BFAFRO CCCCOc1ccc(-c2cc[n+](C)[nH]2)cc1 ZINC000100976808 168916660 /nfs/dbraw/zinc/91/66/60/168916660.db2.gz VMKNDIQDOBATQU-UHFFFAOYSA-O 1 0 231.319 2.685 1 0 BFAFRO CCC[NH+](CCC)[C@H]1CCc2c(ccn2C=O)C1 ZINC000013642194 169151797 /nfs/dbraw/zinc/15/17/97/169151797.db2.gz XTKNAIQXSUEZPU-AWEZNQCLSA-N 1 0 248.370 2.506 1 0 BFAFRO Oc1ccc2[nH]cc(CCC3CC[NH2+]CC3)c2c1 ZINC000006094145 183278754 /nfs/dbraw/zinc/27/87/54/183278754.db2.gz HCIJXUFCIDLWQV-UHFFFAOYSA-N 1 0 244.338 2.806 1 0 BFAFRO Oc1ccc2c(CCC3CC[NH2+]CC3)c[nH]c2c1 ZINC000028758188 183278831 /nfs/dbraw/zinc/27/88/31/183278831.db2.gz MEQHPPYLEAISCG-UHFFFAOYSA-N 1 0 244.338 2.806 1 0 BFAFRO Oc1cccc2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000029554239 183295042 /nfs/dbraw/zinc/29/50/42/183295042.db2.gz NUXVWSXMDCBQLK-CYBMUJFWSA-N 1 0 231.339 2.735 1 0 BFAFRO Oc1cccc2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000029554236 183295264 /nfs/dbraw/zinc/29/52/64/183295264.db2.gz NUXVWSXMDCBQLK-ZDUSSCGKSA-N 1 0 231.339 2.735 1 0 BFAFRO CCC[N@@H+]1CCC=C(c2csc(NC)n2)C1 ZINC000026938695 169191243 /nfs/dbraw/zinc/19/12/43/169191243.db2.gz PYYWPVKGPXCJDC-UHFFFAOYSA-N 1 0 237.372 2.684 1 0 BFAFRO c1cc(-c2ccc3c(c2)[C@@H]2C[C@H]3C[NH2+]C2)c[nH]1 ZINC000028527661 183329117 /nfs/dbraw/zinc/32/91/17/183329117.db2.gz AZTFASAELTYTNV-QWHCGFSZSA-N 1 0 224.307 2.856 1 0 BFAFRO CCC[NH2+]C(C)(C)P(=O)(OCC)OCC ZINC000080300554 169254110 /nfs/dbraw/zinc/25/41/10/169254110.db2.gz BMNVJYREIYOUJO-UHFFFAOYSA-N 1 0 237.280 2.988 1 0 BFAFRO c1cc2c(cn1)[C@H]([NH+]1CCCC1)CCC2 ZINC000027188184 183372051 /nfs/dbraw/zinc/37/20/51/183372051.db2.gz DXAMZDNYFBNONX-CYBMUJFWSA-N 1 0 202.301 2.555 1 0 BFAFRO CCC[NH2+][C@H]1COc2ccccc2[C@@H]1C ZINC000027550117 169292894 /nfs/dbraw/zinc/29/28/94/169292894.db2.gz NNHPDNXLURWZJE-JQWIXIFHSA-N 1 0 205.301 2.551 1 0 BFAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC1=[NH+]CCC1)C2 ZINC000006576759 168003505 /nfs/dbraw/zinc/00/35/05/168003505.db2.gz YUSRZOLPOUXZON-SUNKGSAMSA-N 1 0 220.360 2.983 1 0 BFAFRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@@H](CO)C1)=CC2 ZINC000000217772 168009751 /nfs/dbraw/zinc/00/97/51/168009751.db2.gz PDCQVXFZCJZERL-SNPRPXQTSA-N 1 0 249.398 2.683 1 0 BFAFRO CC[C@@H]1Oc2c(cccc2O)C12CC[NH+](C)CC2 ZINC000029479092 171152993 /nfs/dbraw/zinc/15/29/93/171152993.db2.gz LQACPCZDXSYESU-ZDUSSCGKSA-N 1 0 247.338 2.527 1 0 BFAFRO C[N@@H+]1C[C@H]2c3c(N)cccc3[C@@H]1[C@@H]1C=CC[C@@H]12 ZINC000058501842 173199044 /nfs/dbraw/zinc/19/90/44/173199044.db2.gz KQEBFIGSBWGPFB-MAWWSGROSA-N 1 0 226.323 2.545 1 0 BFAFRO C[NH2+]C[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1 ZINC000029128677 173366789 /nfs/dbraw/zinc/36/67/89/173366789.db2.gz OSJBPKOZISTQCO-DZGCQCFKSA-N 1 0 249.354 2.644 1 0 BFAFRO COc1cc2c(cc1Cl)[C@H](C)C[NH2+]CC2 ZINC000006733302 175022811 /nfs/dbraw/zinc/02/28/11/175022811.db2.gz SJJIKXOJEDKQRJ-MRVPVSSYSA-N 1 0 225.719 2.598 1 0 BFAFRO COc1cc2c(cc1OC)CC([N@H+](C)C(C)C)C2 ZINC000029225415 175024864 /nfs/dbraw/zinc/02/48/64/175024864.db2.gz UGGJFPRZSVNYPN-UHFFFAOYSA-N 1 0 249.354 2.511 1 0 BFAFRO COc1ccc2c(c1)[C@@]1(C)CC=CC[C@@H](C2)[C@@H]1[NH3+] ZINC000169329028 175215593 /nfs/dbraw/zinc/21/55/93/175215593.db2.gz IMZCXDAWHSYGNU-VBNZEHGJSA-N 1 0 243.350 2.803 1 0 BFAFRO COc1ccc2c(c1)[C@@H]1C[C@H]2[N@@H+](C)CCC1 ZINC000027523982 175216809 /nfs/dbraw/zinc/21/68/09/175216809.db2.gz INLXGNMYXKPYGX-IINYFYTJSA-N 1 0 217.312 2.949 1 0 BFAFRO COc1ccc2c(c1)[C@]1([NH3+])CCCC[C@H]1CC2 ZINC000026150092 175216932 /nfs/dbraw/zinc/21/69/32/175216932.db2.gz IDMWBLWTWIEBSD-WFASDCNBSA-N 1 0 231.339 2.986 1 0 BFAFRO C[C@@H]1C[N@H+](C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)C2 ZINC000029484220 176278297 /nfs/dbraw/zinc/27/82/97/176278297.db2.gz WRTHKCNGTIHYHI-HCKVZZMMSA-N 1 0 231.339 2.546 1 0 BFAFRO C[C@H]1C[NH+]=C(N(C)C)N1CCC1CCCCC1 ZINC000036386711 177280783 /nfs/dbraw/zinc/28/07/83/177280783.db2.gz NKJHFSUPIKTKLG-LBPRGKRZSA-N 1 0 237.391 2.579 3 0 BFAFRO C[C@H]1C[C@@]2(C)C[C@H](Cc3ccccc32)[N@@H+]1C ZINC000040373593 177352638 /nfs/dbraw/zinc/35/26/38/177352638.db2.gz UUIHLUKORNVGJW-WHOFXGATSA-N 1 0 215.340 2.983 1 0 BFAFRO CC1(C)O[C@@]2(C3CCCC3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543365 290769996 /nfs/dbraw/zinc/76/99/96/290769996.db2.gz VZERVKJEZBMQPH-BZPMIXESSA-N 1 0 223.360 2.852 1 0 biogenic,in-vitro BFAFRO Cc1ccccc1-n1ccc(CC[NH+](C)C)c1 ZINC000028821752 179241536 /nfs/dbraw/zinc/24/15/36/179241536.db2.gz QWHCEIHHPBMPBP-UHFFFAOYSA-N 1 0 228.339 2.890 1 0 BFAFRO CCCC[n+]1ccc(/C=C/c2ncc[nH]2)cc1 ZINC000029313625 188110413 /nfs/dbraw/zinc/11/04/13/188110413.db2.gz KBICOHLDYMEIPP-UHFFFAOYSA-O 1 0 228.319 2.668 1 0 BFAFRO C[N@@H+]1CCC=C2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000033755716 188110955 /nfs/dbraw/zinc/11/09/55/188110955.db2.gz AHFZNJIKXMBLTJ-AWEZNQCLSA-N 1 0 224.307 2.812 1 0 BFAFRO CCCCc1noc(C2=CCC[N@H+](CC)C2)n1 ZINC000013820187 188105927 /nfs/dbraw/zinc/10/59/27/188105927.db2.gz OQMXEDWAPMFRMV-UHFFFAOYSA-N 1 0 235.331 2.521 1 0 BFAFRO CCC[n+]1cccc2c1CC[C@@H]1[C@H](O)CCC[C@@H]21 ZINC000169319958 188161700 /nfs/dbraw/zinc/16/17/00/188161700.db2.gz QVONKCBUMIKHBA-DUVNUKRYSA-N 1 0 246.374 2.575 1 0 BFAFRO [NH3+]C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)O2 ZINC000040892555 181336541 /nfs/dbraw/zinc/33/65/41/181336541.db2.gz HNOUEKMTZJFLFM-AVJIGQEQSA-N 1 0 229.323 2.777 1 0 BFAFRO [NH2+]=C1N[C@H](c2ccccc2)Cc2cccc(F)c21 ZINC000025976329 181339123 /nfs/dbraw/zinc/33/91/23/181339123.db2.gz OTLLMGWJZKFCGF-ZDUSSCGKSA-N 1 0 240.281 2.828 1 0 BFAFRO [NH2+]=C1N[C@@H](c2ccccc2F)Cc2ccccc21 ZINC000025976117 181339281 /nfs/dbraw/zinc/33/92/81/181339281.db2.gz XVFZTEAZCMAZMP-CQSZACIVSA-N 1 0 240.281 2.828 1 0 BFAFRO [NH2+]=C1N[C@H](c2ccccc2)Cc2ccccc21 ZINC000004631318 181339546 /nfs/dbraw/zinc/33/95/46/181339546.db2.gz NXQKWROQUYKWQS-AWEZNQCLSA-N 1 0 222.291 2.689 1 0 BFAFRO O=C(Nc1ccccc1)O[C@@H]1C[C@H]2CCC[C@@H]1[NH2+]2 ZINC000026504995 182376994 /nfs/dbraw/zinc/37/69/94/182376994.db2.gz BLXVLQQWVJDBTF-FRRDWIJNSA-N 1 0 246.310 2.518 1 0 BFAFRO Oc1cccc2c1CC[C@@]21[NH2+]Cc2ccccc21 ZINC000027657078 183295967 /nfs/dbraw/zinc/29/59/67/183295967.db2.gz BKLZCDDYMWJJMH-INIZCTEOSA-N 1 0 237.302 2.685 1 0 BFAFRO CCC[N@@H+]1CCO[C@@H]2c3ccsc3CC[C@@H]21 ZINC000026822561 169205275 /nfs/dbraw/zinc/20/52/75/169205275.db2.gz GRHVCLHQXSTVGR-WCQYABFASA-N 1 0 237.368 2.846 1 0 BFAFRO CCC[N@@H+]1CCC=C2c3nc(N)sc3CC[C@@H]21 ZINC000006137658 169190802 /nfs/dbraw/zinc/19/08/02/169190802.db2.gz VOPHHPYKMCJUCP-JTQLQIEISA-N 1 0 249.383 2.539 1 0 BFAFRO c1c[nH]c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000029332830 183327324 /nfs/dbraw/zinc/32/73/24/183327324.db2.gz LDAHIJXZDXUBBY-HNNXBMFYSA-N 1 0 237.306 2.731 1 0 BFAFRO c1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000005557644 183420533 /nfs/dbraw/zinc/42/05/33/183420533.db2.gz DHUKKIFFTZDUTP-KBPBESRZSA-N 1 0 246.354 2.725 1 0 BFAFRO CCC[NH2+][C@H]1Cc2cc(OC)ccc2C[C@@H]1C ZINC000029488947 169292932 /nfs/dbraw/zinc/29/29/32/169292932.db2.gz YXUBHKBRUDGXPC-NHYWBVRUSA-N 1 0 233.355 2.798 1 0 BFAFRO CC(C)[N@@H+]1CC[C@H](c2cccc(O)c2)C1 ZINC000029247797 167028395 /nfs/dbraw/zinc/02/83/95/167028395.db2.gz QBERVTCRCZTHSQ-LBPRGKRZSA-N 1 0 205.301 2.590 1 0 BFAFRO CC(C)Oc1cccc2[nH]c3c(c21)CC[NH+]=C3 ZINC000027518243 167308224 /nfs/dbraw/zinc/30/82/24/167308224.db2.gz AVEXRLIJJJGQHF-UHFFFAOYSA-N 1 0 228.295 2.930 1 0 BFAFRO CC1CC[NH+](C[C@@H]2Cc3ccccc3C2=O)CC1 ZINC000013449577 168183320 /nfs/dbraw/zinc/18/33/20/168183320.db2.gz FBFCEJZVMXVAGL-AWEZNQCLSA-N 1 0 243.350 2.774 1 0 BFAFRO C[NH+](C)[C@H]1CCc2[nH]c3c(cccc3F)c2C1 ZINC000039214024 172541542 /nfs/dbraw/zinc/54/15/42/172541542.db2.gz YDZUITAQDVNOEJ-VIFPVBQESA-N 1 0 232.302 2.726 1 0 BFAFRO C[N@@H+]1CCCC[C@H]1[C@H]1CCc2c(O)cccc2O1 ZINC000013471335 173010688 /nfs/dbraw/zinc/01/06/88/173010688.db2.gz SAFAEJVPQFBPCV-SWLSCSKDSA-N 1 0 247.338 2.570 1 0 BFAFRO C[N@@H+]1CC[C@]2(C1)CCCc1ccccc12 ZINC000027761861 173137947 /nfs/dbraw/zinc/13/79/47/173137947.db2.gz BIBARNODTDRLBO-AWEZNQCLSA-N 1 0 201.313 2.596 1 0 BFAFRO C[N@H+]1C[C@H]2C=C(c3ccc(F)nc3)C[C@H](C2)C1 ZINC000095572737 173187828 /nfs/dbraw/zinc/18/78/28/173187828.db2.gz GITHBFKKVBHLFE-MNOVXSKESA-N 1 0 232.302 2.576 1 0 BFAFRO C[NH2+]CC1c2ccccc2Cc2ccccc21 ZINC000026380170 173338843 /nfs/dbraw/zinc/33/88/43/173338843.db2.gz ZZEQOXMRTJPRMI-UHFFFAOYSA-N 1 0 223.319 2.942 1 0 BFAFRO COc1ccc2c(c1)[C@@]1([NH3+])CC=CC[C@@H]1CC2 ZINC000026150088 175215683 /nfs/dbraw/zinc/21/56/83/175215683.db2.gz QBQJGSVGTBUOKQ-IUODEOHRSA-N 1 0 229.323 2.762 1 0 BFAFRO COc1cccc(/C(C)=C/C[NH+](C)C)c1 ZINC000073163026 175240005 /nfs/dbraw/zinc/24/00/05/175240005.db2.gz LNOISZZIOWKDQV-DHZHZOJOSA-N 1 0 205.301 2.660 1 0 BFAFRO C[C@@H]1[NH2+][C@H]2c3cccc(N)c3[C@@H]1[C@@H]1CCC[C@@H]12 ZINC000058627602 176462909 /nfs/dbraw/zinc/46/29/09/176462909.db2.gz FMBYQEIJDWNYNT-SNVNHWNNSA-N 1 0 228.339 2.815 1 0 BFAFRO C[C@@]1(CC2=Cc3ccccc3CC2)C[NH+]=CN1 ZINC000013862142 176529225 /nfs/dbraw/zinc/52/92/25/176529225.db2.gz XWOKQRYKGQBUQK-OAHLLOKOSA-N 1 0 226.323 2.797 1 0 BFAFRO C[C@H]([NH3+])Cn1ncc2ccc(Cl)c(Cl)c21 ZINC000029124741 176763516 /nfs/dbraw/zinc/76/35/16/176763516.db2.gz XVUVWFVTTXRRCJ-LURJTMIESA-N 1 0 244.125 2.690 1 0 BFAFRO C[C@H]1CCC[C@H]2Cc3ccccc3[C@]21[NH3+] ZINC000027724566 177143445 /nfs/dbraw/zinc/14/34/45/177143445.db2.gz SEIXOAIDAGGEFF-VHRBIJSZSA-N 1 0 201.313 2.833 1 0 BFAFRO