smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014120 432754161 /nfs/dbraw/zinc/75/41/61/432754161.db2.gz RYMYORVAPYQTSR-SIXWZSSISA-N 1 3 318.461 3.227 20 70 DGIDHO CC(C)[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014120 432754164 /nfs/dbraw/zinc/75/41/64/432754164.db2.gz RYMYORVAPYQTSR-SIXWZSSISA-N 1 3 318.461 3.227 20 70 DGIDHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1C ZINC000161509251 279592812 /nfs/dbraw/zinc/59/28/12/279592812.db2.gz WZKNNSKFZQBPHO-SQWLQELKSA-N 1 3 324.509 3.253 20 70 DGIDHO CC[C@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000159738073 186138790 /nfs/dbraw/zinc/13/87/90/186138790.db2.gz OFXNBMNBBBTMPZ-KRWDZBQOSA-N 1 3 304.478 3.446 20 70 DGIDHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312124 197399826 /nfs/dbraw/zinc/39/98/26/197399826.db2.gz SSEBCCJGELLYDY-ZMSDIMECSA-N 1 3 308.441 3.303 20 70 DGIDHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312124 197399827 /nfs/dbraw/zinc/39/98/27/197399827.db2.gz SSEBCCJGELLYDY-ZMSDIMECSA-N 1 3 308.441 3.303 20 70 DGIDHO C[C@@H](CC(=O)N1CCCCCC1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159625009 432690749 /nfs/dbraw/zinc/69/07/49/432690749.db2.gz GGWVDJBGURNGQP-HNNXBMFYSA-N 1 3 323.525 3.066 20 70 DGIDHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159625009 432690753 /nfs/dbraw/zinc/69/07/53/432690753.db2.gz GGWVDJBGURNGQP-HNNXBMFYSA-N 1 3 323.525 3.066 20 70 DGIDHO c1ccc(N2CCC[N@@H+](CCCN3CCCCC3)CC2)cc1 ZINC000160648275 432733766 /nfs/dbraw/zinc/73/37/66/432733766.db2.gz XIVJFFWGMOQYHL-UHFFFAOYSA-N 1 3 301.478 3.075 20 70 DGIDHO c1ccc(N2CCC[N@H+](CCCN3CCCCC3)CC2)cc1 ZINC000160648275 432733770 /nfs/dbraw/zinc/73/37/70/432733770.db2.gz XIVJFFWGMOQYHL-UHFFFAOYSA-N 1 3 301.478 3.075 20 70 DGIDHO CC[C@@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312249 197399949 /nfs/dbraw/zinc/39/99/49/197399949.db2.gz SSEBCCJGELLYDY-ZOBUZTSGSA-N 1 3 308.441 3.303 20 70 DGIDHO CC[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312249 197399952 /nfs/dbraw/zinc/39/99/52/197399952.db2.gz SSEBCCJGELLYDY-ZOBUZTSGSA-N 1 3 308.441 3.303 20 70 DGIDHO Cc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161261468 197478970 /nfs/dbraw/zinc/47/89/70/197478970.db2.gz LNAADJKVBYNQKT-MRXNPFEDSA-N 1 3 313.445 3.181 20 70 DGIDHO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(OCCN(C)C)cc1 ZINC000159524163 197361080 /nfs/dbraw/zinc/36/10/80/197361080.db2.gz CCGXCPWRIBWCME-HOCLYGCPSA-N 1 3 308.491 3.173 20 70 DGIDHO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(OCCN(C)C)cc1 ZINC000159524290 197361095 /nfs/dbraw/zinc/36/10/95/197361095.db2.gz CCGXCPWRIBWCME-ZBFHGGJFSA-N 1 3 308.491 3.173 20 70 DGIDHO CC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045754 280194294 /nfs/dbraw/zinc/19/42/94/280194294.db2.gz GMKVPLLSKWQZST-IXDOHACOSA-N 1 3 318.461 3.371 20 70 DGIDHO c1ccc(COC[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279006 432769277 /nfs/dbraw/zinc/76/92/77/432769277.db2.gz JWMSLIYLGMZTFQ-HXUWFJFHSA-N 1 3 316.489 3.401 20 70 DGIDHO CC[C@@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000159737898 186138658 /nfs/dbraw/zinc/13/86/58/186138658.db2.gz OFXNBMNBBBTMPZ-QGZVFWFLSA-N 1 3 304.478 3.446 20 70 DGIDHO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161044355 432756378 /nfs/dbraw/zinc/75/63/78/432756378.db2.gz XDOYBIPKISBJDQ-SZMVWBNQSA-N 1 3 320.477 3.235 20 70 DGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161082131 432758628 /nfs/dbraw/zinc/75/86/28/432758628.db2.gz ZDKADYLKNHTORQ-MJGOQNOKSA-N 1 3 301.478 3.118 20 70 DGIDHO CN(c1ccccc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161405733 432777731 /nfs/dbraw/zinc/77/77/31/432777731.db2.gz KCXLCUJHDSEFJW-UHFFFAOYSA-N 1 3 315.505 3.463 20 70 DGIDHO CC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161046012 432756089 /nfs/dbraw/zinc/75/60/89/432756089.db2.gz GMKVPLLSKWQZST-YESZJQIVSA-N 1 3 318.461 3.371 20 70 DGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061234 432758496 /nfs/dbraw/zinc/75/84/96/432758496.db2.gz HUCZCFKYDKOYAI-UAGQMJEPSA-N 1 3 318.461 3.371 20 70 DGIDHO CCN1CCCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161160079 432763888 /nfs/dbraw/zinc/76/38/88/432763888.db2.gz MOINAWHWOQLIQO-IBGZPJMESA-N 1 3 307.526 3.248 20 70 DGIDHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOCC2CC2)CC1 ZINC000160363125 523342445 /nfs/dbraw/zinc/34/24/45/523342445.db2.gz QINOGYGBBPNERU-UHFFFAOYSA-N 1 3 316.489 3.257 20 70 DGIDHO C[N@H+](Cc1ccccc1)CC1CCN(CCOCC2CC2)CC1 ZINC000160363125 523342459 /nfs/dbraw/zinc/34/24/59/523342459.db2.gz QINOGYGBBPNERU-UHFFFAOYSA-N 1 3 316.489 3.257 20 70 DGIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000160281758 197397684 /nfs/dbraw/zinc/39/76/84/197397684.db2.gz GAUYSHFBSPIOIW-HNNXBMFYSA-N 1 3 315.461 3.109 20 70 DGIDHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312366 432714078 /nfs/dbraw/zinc/71/40/78/432714078.db2.gz SSEBCCJGELLYDY-UXLLHSPISA-N 1 3 308.441 3.303 20 70 DGIDHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312366 432714083 /nfs/dbraw/zinc/71/40/83/432714083.db2.gz SSEBCCJGELLYDY-UXLLHSPISA-N 1 3 308.441 3.303 20 70 DGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061453 432758529 /nfs/dbraw/zinc/75/85/29/432758529.db2.gz HUCZCFKYDKOYAI-XIRDDKMYSA-N 1 3 318.461 3.371 20 70 DGIDHO COCc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1OC ZINC000161097367 432760265 /nfs/dbraw/zinc/76/02/65/432760265.db2.gz CJRLHLKDKGGLAY-JLSDUUJJSA-N 1 3 320.477 3.365 20 70 DGIDHO C[N@H+](CCOc1ccc(Cl)cc1Cl)[C@@H](CN)C1CC1 ZINC000160027936 197380922 /nfs/dbraw/zinc/38/09/22/197380922.db2.gz FKRNGVGLLKBBHA-ZDUSSCGKSA-N 1 3 303.233 3.041 20 70 DGIDHO C[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@@H](CN)C1CC1 ZINC000160027936 197380924 /nfs/dbraw/zinc/38/09/24/197380924.db2.gz FKRNGVGLLKBBHA-ZDUSSCGKSA-N 1 3 303.233 3.041 20 70 DGIDHO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161044464 432755725 /nfs/dbraw/zinc/75/57/25/432755725.db2.gz XDOYBIPKISBJDQ-NJAFHUGGSA-N 1 3 320.477 3.235 20 70 DGIDHO CN1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394332 432776953 /nfs/dbraw/zinc/77/69/53/432776953.db2.gz NYWIWKUFRRBUJD-GOSISDBHSA-N 1 3 302.462 3.152 20 70 DGIDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081884 273816924 /nfs/dbraw/zinc/81/69/24/273816924.db2.gz ZDKADYLKNHTORQ-HKUYNNGSSA-N 1 3 301.478 3.118 20 70 DGIDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000160509030 432724894 /nfs/dbraw/zinc/72/48/94/432724894.db2.gz ZDRXZBAUIWDMLM-DOMZBBRYSA-N 1 3 316.367 3.014 20 70 DGIDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000160509030 432724899 /nfs/dbraw/zinc/72/48/99/432724899.db2.gz ZDRXZBAUIWDMLM-DOMZBBRYSA-N 1 3 316.367 3.014 20 70 DGIDHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045620 432756898 /nfs/dbraw/zinc/75/68/98/432756898.db2.gz GMKVPLLSKWQZST-IKGGRYGDSA-N 1 3 318.461 3.371 20 70 DGIDHO C(CN1CCN(CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000160716768 527480655 /nfs/dbraw/zinc/48/06/55/527480655.db2.gz WIZYQZHGKYHZHP-UHFFFAOYSA-N 1 3 307.526 3.060 20 70 DGIDHO CC(C)[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161013941 432754464 /nfs/dbraw/zinc/75/44/64/432754464.db2.gz RYMYORVAPYQTSR-IDHHARJASA-N 1 3 318.461 3.227 20 70 DGIDHO CC(C)[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161013941 432754468 /nfs/dbraw/zinc/75/44/68/432754468.db2.gz RYMYORVAPYQTSR-IDHHARJASA-N 1 3 318.461 3.227 20 70 DGIDHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000161113716 432759516 /nfs/dbraw/zinc/75/95/16/432759516.db2.gz LVABHGHAQYLMMX-BMFZPTHFSA-N 1 3 306.450 3.227 20 70 DGIDHO C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(OCCN(C)C)c1 ZINC000159557461 186126883 /nfs/dbraw/zinc/12/68/83/186126883.db2.gz DVMPOTXTNWGCPN-ZBFHGGJFSA-N 1 3 308.491 3.173 20 70 DGIDHO C[C@H](CC(=O)N1CCCCCC1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159625095 432690462 /nfs/dbraw/zinc/69/04/62/432690462.db2.gz GGWVDJBGURNGQP-OAHLLOKOSA-N 1 3 323.525 3.066 20 70 DGIDHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159625095 432690465 /nfs/dbraw/zinc/69/04/65/432690465.db2.gz GGWVDJBGURNGQP-OAHLLOKOSA-N 1 3 323.525 3.066 20 70 DGIDHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)C1 ZINC000161015557 432754793 /nfs/dbraw/zinc/75/47/93/432754793.db2.gz VOHSATNYOCYSKA-RCCFBDPRSA-N 1 3 309.542 3.207 20 70 DGIDHO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(OCCN(C)C)c1 ZINC000159557316 186127076 /nfs/dbraw/zinc/12/70/76/186127076.db2.gz DVMPOTXTNWGCPN-HOCLYGCPSA-N 1 3 308.491 3.173 20 70 DGIDHO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161044081 432756541 /nfs/dbraw/zinc/75/65/41/432756541.db2.gz XDOYBIPKISBJDQ-JQHSSLGASA-N 1 3 320.477 3.235 20 70 DGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081987 432758306 /nfs/dbraw/zinc/75/83/06/432758306.db2.gz ZDKADYLKNHTORQ-IEBWSBKVSA-N 1 3 301.478 3.118 20 70 DGIDHO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000161113902 286356175 /nfs/dbraw/zinc/35/61/75/286356175.db2.gz LVABHGHAQYLMMX-KBMXLJTQSA-N 1 3 306.450 3.227 20 70 DGIDHO CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160315399 432714555 /nfs/dbraw/zinc/71/45/55/432714555.db2.gz INFQBLMJCTWPNE-LJIGWXMPSA-N 1 3 308.441 3.301 20 70 DGIDHO CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160315399 432714560 /nfs/dbraw/zinc/71/45/60/432714560.db2.gz INFQBLMJCTWPNE-LJIGWXMPSA-N 1 3 308.441 3.301 20 70 DGIDHO CCn1nc(C)c([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c1C ZINC000160890269 432747805 /nfs/dbraw/zinc/74/78/05/432747805.db2.gz CWBFSHGBUHKWAK-AWEZNQCLSA-N 1 3 314.477 3.432 20 70 DGIDHO Cc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161261339 432769715 /nfs/dbraw/zinc/76/97/15/432769715.db2.gz LNAADJKVBYNQKT-INIZCTEOSA-N 1 3 313.445 3.181 20 70 DGIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000160281886 278346810 /nfs/dbraw/zinc/34/68/10/278346810.db2.gz GAUYSHFBSPIOIW-OAHLLOKOSA-N 1 3 315.461 3.109 20 70 DGIDHO CC[C@@H](C)N(C)CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160080809 197384370 /nfs/dbraw/zinc/38/43/70/197384370.db2.gz IYOYFRQMDLBMBY-GOSISDBHSA-N 1 3 317.521 3.013 20 70 DGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081758 432757928 /nfs/dbraw/zinc/75/79/28/432757928.db2.gz ZDKADYLKNHTORQ-PKOBYXMFSA-N 1 3 301.478 3.118 20 70 DGIDHO CCCC[N@H+](C)CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000160393349 432718249 /nfs/dbraw/zinc/71/82/49/432718249.db2.gz KTRGBCFNOBTKEE-UHFFFAOYSA-N 1 3 314.477 3.278 20 70 DGIDHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000160393349 432718253 /nfs/dbraw/zinc/71/82/53/432718253.db2.gz KTRGBCFNOBTKEE-UHFFFAOYSA-N 1 3 314.477 3.278 20 70 DGIDHO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161044209 432756175 /nfs/dbraw/zinc/75/61/75/432756175.db2.gz XDOYBIPKISBJDQ-NXHRZFHOSA-N 1 3 320.477 3.235 20 70 DGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093659 432760121 /nfs/dbraw/zinc/76/01/21/432760121.db2.gz HLJYAVGRNYXAST-WDYCEAGBSA-N 1 3 312.461 3.396 20 70 DGIDHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000161411570 432778617 /nfs/dbraw/zinc/77/86/17/432778617.db2.gz LFRBGCYEKWFPGA-GOSISDBHSA-N 1 3 316.489 3.149 20 70 DGIDHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000161411570 432778620 /nfs/dbraw/zinc/77/86/20/432778620.db2.gz LFRBGCYEKWFPGA-GOSISDBHSA-N 1 3 316.489 3.149 20 70 DGIDHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cnn(C)c1 ZINC000161073624 432758157 /nfs/dbraw/zinc/75/81/57/432758157.db2.gz UITMCAUYKLKACN-FAXKSRBJSA-N 1 3 324.472 3.266 20 70 DGIDHO COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1OC ZINC000161097019 432759185 /nfs/dbraw/zinc/75/91/85/432759185.db2.gz CJRLHLKDKGGLAY-QGTPRVQTSA-N 1 3 320.477 3.365 20 70 DGIDHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000161113612 432759971 /nfs/dbraw/zinc/75/99/71/432759971.db2.gz LVABHGHAQYLMMX-IMJJTQAJSA-N 1 3 306.450 3.227 20 70 DGIDHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000161487399 432781237 /nfs/dbraw/zinc/78/12/37/432781237.db2.gz AFMBOQMVJJNGHU-GFCCVEGCSA-N 1 3 316.474 3.258 20 70 DGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061353 432757899 /nfs/dbraw/zinc/75/78/99/432757899.db2.gz HUCZCFKYDKOYAI-OIISXLGYSA-N 1 3 318.461 3.371 20 70 DGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061581 432758184 /nfs/dbraw/zinc/75/81/84/432758184.db2.gz HUCZCFKYDKOYAI-PVAVHDDUSA-N 1 3 318.461 3.371 20 70 DGIDHO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(OCCN(C)C)cc1 ZINC000159523895 197360843 /nfs/dbraw/zinc/36/08/43/197360843.db2.gz CCGXCPWRIBWCME-GOEBONIOSA-N 1 3 308.491 3.173 20 70 DGIDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000160509160 432725448 /nfs/dbraw/zinc/72/54/48/432725448.db2.gz ZDRXZBAUIWDMLM-WFASDCNBSA-N 1 3 316.367 3.014 20 70 DGIDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cc1 ZINC000160509160 432725453 /nfs/dbraw/zinc/72/54/53/432725453.db2.gz ZDRXZBAUIWDMLM-WFASDCNBSA-N 1 3 316.367 3.014 20 70 DGIDHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C1 ZINC000161016458 432754714 /nfs/dbraw/zinc/75/47/14/432754714.db2.gz MXBAVBGALUZSQB-WNRNVDISSA-N 1 3 309.542 3.205 20 70 DGIDHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cnn(C)c1 ZINC000161073710 432757479 /nfs/dbraw/zinc/75/74/79/432757479.db2.gz UITMCAUYKLKACN-MIJOPJBOSA-N 1 3 324.472 3.266 20 70 DGIDHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000161487529 432781127 /nfs/dbraw/zinc/78/11/27/432781127.db2.gz AFMBOQMVJJNGHU-LBPRGKRZSA-N 1 3 316.474 3.258 20 70 DGIDHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)C1CC1 ZINC000160362509 522884328 /nfs/dbraw/zinc/88/43/28/522884328.db2.gz VMPJNBVZVSWFBV-HXUWFJFHSA-N 1 3 315.505 3.102 20 70 DGIDHO CC[C@H](C)N(C)CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160080947 197384298 /nfs/dbraw/zinc/38/42/98/197384298.db2.gz IYOYFRQMDLBMBY-SFHVURJKSA-N 1 3 317.521 3.013 20 70 DGIDHO COCc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1OC ZINC000161097139 432758885 /nfs/dbraw/zinc/75/88/85/432758885.db2.gz CJRLHLKDKGGLAY-OLMNPRSZSA-N 1 3 320.477 3.365 20 70 DGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161094015 432759085 /nfs/dbraw/zinc/75/90/85/432759085.db2.gz HLJYAVGRNYXAST-AYBZRNKSSA-N 1 3 312.461 3.396 20 70 DGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093770 432759706 /nfs/dbraw/zinc/75/97/06/432759706.db2.gz HLJYAVGRNYXAST-SUMDDJOVSA-N 1 3 312.461 3.396 20 70 DGIDHO CN1CCC[C@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394465 432776802 /nfs/dbraw/zinc/77/68/02/432776802.db2.gz NYWIWKUFRRBUJD-SFHVURJKSA-N 1 3 302.462 3.152 20 70 DGIDHO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(OCCN(C)C)cc1 ZINC000159524029 197360784 /nfs/dbraw/zinc/36/07/84/197360784.db2.gz CCGXCPWRIBWCME-GDBMZVCRSA-N 1 3 308.491 3.173 20 70 DGIDHO CC(C)[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014198 432754842 /nfs/dbraw/zinc/75/48/42/432754842.db2.gz RYMYORVAPYQTSR-URLQWDBASA-N 1 3 318.461 3.227 20 70 DGIDHO CC(C)[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014198 432754845 /nfs/dbraw/zinc/75/48/45/432754845.db2.gz RYMYORVAPYQTSR-URLQWDBASA-N 1 3 318.461 3.227 20 70 DGIDHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045872 432756364 /nfs/dbraw/zinc/75/63/64/432756364.db2.gz GMKVPLLSKWQZST-ULQDDVLXSA-N 1 3 318.461 3.371 20 70 DGIDHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000161411443 432777396 /nfs/dbraw/zinc/77/73/96/432777396.db2.gz LFRBGCYEKWFPGA-SFHVURJKSA-N 1 3 316.489 3.149 20 70 DGIDHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000161411443 432777399 /nfs/dbraw/zinc/77/73/99/432777399.db2.gz LFRBGCYEKWFPGA-SFHVURJKSA-N 1 3 316.489 3.149 20 70 DGIDHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)C1CC1 ZINC000160362381 522655170 /nfs/dbraw/zinc/65/51/70/522655170.db2.gz VMPJNBVZVSWFBV-FQEVSTJZSA-N 1 3 315.505 3.102 20 70 DGIDHO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(OCCN(C)C)c1 ZINC000159557171 186127066 /nfs/dbraw/zinc/12/70/66/186127066.db2.gz DVMPOTXTNWGCPN-GDBMZVCRSA-N 1 3 308.491 3.173 20 70 DGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000161109898 432759525 /nfs/dbraw/zinc/75/95/25/432759525.db2.gz INWKGLKYEJQAIM-LZLYRXPVSA-N 1 3 304.503 3.479 20 70 DGIDHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000161113797 432760312 /nfs/dbraw/zinc/76/03/12/432760312.db2.gz LVABHGHAQYLMMX-BPUTZDHNSA-N 1 3 306.450 3.227 20 70 DGIDHO C[N@H+](CCOc1ccc(Cl)cc1Cl)[C@H](CN)C1CC1 ZINC000160028082 197380726 /nfs/dbraw/zinc/38/07/26/197380726.db2.gz FKRNGVGLLKBBHA-CYBMUJFWSA-N 1 3 303.233 3.041 20 70 DGIDHO C[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@H](CN)C1CC1 ZINC000160028082 197380728 /nfs/dbraw/zinc/38/07/28/197380728.db2.gz FKRNGVGLLKBBHA-CYBMUJFWSA-N 1 3 303.233 3.041 20 70 DGIDHO CCn1nc(C)c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c1C ZINC000160890164 432748323 /nfs/dbraw/zinc/74/83/23/432748323.db2.gz CWBFSHGBUHKWAK-CQSZACIVSA-N 1 3 314.477 3.432 20 70 DGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093893 432760041 /nfs/dbraw/zinc/76/00/41/432760041.db2.gz HLJYAVGRNYXAST-IEZWGBDMSA-N 1 3 312.461 3.396 20 70 DGIDHO CCN1CCCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161159960 432763240 /nfs/dbraw/zinc/76/32/40/432763240.db2.gz MOINAWHWOQLIQO-LJQANCHMSA-N 1 3 307.526 3.248 20 70 DGIDHO c1ccc(COC[C@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279131 432769128 /nfs/dbraw/zinc/76/91/28/432769128.db2.gz JWMSLIYLGMZTFQ-FQEVSTJZSA-N 1 3 316.489 3.401 20 70 DGIDHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1C ZINC000161509007 432783596 /nfs/dbraw/zinc/78/35/96/432783596.db2.gz WZKNNSKFZQBPHO-OFQRWUPVSA-N 1 3 324.509 3.253 20 70 DGIDHO COCc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1OC ZINC000161097261 432759682 /nfs/dbraw/zinc/75/96/82/432759682.db2.gz CJRLHLKDKGGLAY-WBAXXEDZSA-N 1 3 320.477 3.365 20 70 DGIDHO CC[C@@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312013 432713338 /nfs/dbraw/zinc/71/33/38/432713338.db2.gz SSEBCCJGELLYDY-YQQAZPJKSA-N 1 3 308.441 3.303 20 70 DGIDHO CC[C@@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312013 432713340 /nfs/dbraw/zinc/71/33/40/432713340.db2.gz SSEBCCJGELLYDY-YQQAZPJKSA-N 1 3 308.441 3.303 20 70 DGIDHO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(OCCN(C)C)c1 ZINC000159557034 186126847 /nfs/dbraw/zinc/12/68/47/186126847.db2.gz DVMPOTXTNWGCPN-GOEBONIOSA-N 1 3 308.491 3.173 20 70 DGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000161110126 432759658 /nfs/dbraw/zinc/75/96/58/432759658.db2.gz INWKGLKYEJQAIM-JFIYKMOQSA-N 1 3 304.503 3.479 20 70 DGIDHO CC(C)[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014006 432754295 /nfs/dbraw/zinc/75/42/95/432754295.db2.gz RYMYORVAPYQTSR-ZSZQSSIHSA-N 1 3 318.461 3.227 20 70 DGIDHO CC(C)[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014006 432754300 /nfs/dbraw/zinc/75/43/00/432754300.db2.gz RYMYORVAPYQTSR-ZSZQSSIHSA-N 1 3 318.461 3.227 20 70 DGIDHO