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)[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160824029 372279182 /nfs/dbraw/zinc/27/91/82/372279182.db2.gz KCCUEZRFTVXJLU-UHFFFAOYSA-N 2 1 284.806 3.442 20 70 CGIDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687809 376178934 /nfs/dbraw/zinc/17/89/34/376178934.db2.gz AJIFWQUCXMDEPG-BBWFWOEESA-N 2 1 258.409 3.354 20 70 CGIDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687809 376178940 /nfs/dbraw/zinc/17/89/40/376178940.db2.gz AJIFWQUCXMDEPG-BBWFWOEESA-N 2 1 258.409 3.354 20 70 CGIDMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000217570986 572394634 /nfs/dbraw/zinc/39/46/34/572394634.db2.gz QNMAUCALANQMAP-TWMKSMIVSA-N 2 1 266.473 3.379 20 70 CGIDMP CCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160824172 528204893 /nfs/dbraw/zinc/20/48/93/528204893.db2.gz FQJRRDDLMJXJCA-UHFFFAOYSA-N 2 1 284.806 3.443 20 70 CGIDMP CC(C)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161348099 528389282 /nfs/dbraw/zinc/38/92/82/528389282.db2.gz NOGBAABWYMGNAD-INIZCTEOSA-N 2 1 252.446 3.230 20 70 CGIDMP CC1(C)CC([NH2+]Cc2cc(F)cc(F)c2)CC(C)(C)[NH2+]1 ZINC000159617622 372161255 /nfs/dbraw/zinc/16/12/55/372161255.db2.gz DHRXODLHGVKDEK-UHFFFAOYSA-N 2 1 282.378 3.364 20 70 CGIDMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000161456050 372325098 /nfs/dbraw/zinc/32/50/98/372325098.db2.gz BQYFXAGRPURUCV-LLVKDONJSA-N 2 1 282.428 3.292 20 70 CGIDMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217527142 376174284 /nfs/dbraw/zinc/17/42/84/376174284.db2.gz GLCPLRIIBRRZSK-NEPJUHHUSA-N 2 1 284.350 3.020 20 70 CGIDMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565772 376176058 /nfs/dbraw/zinc/17/60/58/376176058.db2.gz UXNPEZOWRDWFKQ-DYVFJYSZSA-N 2 1 276.399 3.208 20 70 CGIDMP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055513 278059318 /nfs/dbraw/zinc/05/93/18/278059318.db2.gz ARSNRRJLBKMKHQ-ILXRZTDVSA-N 2 1 276.424 3.219 20 70 CGIDMP COc1ccccc1CC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161339250 524409635 /nfs/dbraw/zinc/40/96/35/524409635.db2.gz RMEXGVDRQNPMDG-UHFFFAOYSA-N 2 1 290.451 3.046 20 70 CGIDMP COc1ccccc1CC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161339250 524409623 /nfs/dbraw/zinc/40/96/23/524409623.db2.gz RMEXGVDRQNPMDG-UHFFFAOYSA-N 2 1 290.451 3.046 20 70 CGIDMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159475179 372147559 /nfs/dbraw/zinc/14/75/59/372147559.db2.gz LJZGFVNQYYRWDB-XYJFISCASA-N 2 1 274.452 3.164 20 70 CGIDMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264947 372231915 /nfs/dbraw/zinc/23/19/15/372231915.db2.gz ANSBVCSTRQCFPI-KBPBESRZSA-N 2 1 290.455 3.009 20 70 CGIDMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264947 372231920 /nfs/dbraw/zinc/23/19/20/372231920.db2.gz ANSBVCSTRQCFPI-KBPBESRZSA-N 2 1 290.455 3.009 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160326470 372237968 /nfs/dbraw/zinc/23/79/68/372237968.db2.gz IRCIGAFNDRJOBH-WBVHZDCISA-N 2 1 290.451 3.261 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359441 397658625 /nfs/dbraw/zinc/65/86/25/397658625.db2.gz UXPCPICRXBWRLF-CPUCHLNUSA-N 2 1 290.426 3.176 20 70 CGIDMP CC(C)C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160755561 528381211 /nfs/dbraw/zinc/38/12/11/528381211.db2.gz JPBOISHRPIXFKU-INIZCTEOSA-N 2 1 252.446 3.373 20 70 CGIDMP CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000159377468 372138389 /nfs/dbraw/zinc/13/83/89/372138389.db2.gz ZERAIUAXYKNGKX-BARDWOONSA-N 2 1 270.486 3.123 20 70 CGIDMP CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000159377468 372138392 /nfs/dbraw/zinc/13/83/92/372138392.db2.gz ZERAIUAXYKNGKX-BARDWOONSA-N 2 1 270.486 3.123 20 70 CGIDMP C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695650 372170553 /nfs/dbraw/zinc/17/05/53/372170553.db2.gz VKZMAZBHIJVYDV-XJKSGUPXSA-N 2 1 285.391 3.264 20 70 CGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131727 525612106 /nfs/dbraw/zinc/61/21/06/525612106.db2.gz DBSLORBFQDQLEA-UBHSHLNASA-N 2 1 282.378 3.488 20 70 CGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999025 372294658 /nfs/dbraw/zinc/29/46/58/372294658.db2.gz KGSYORZOLLUYOG-MCIONIFRSA-N 2 1 264.388 3.349 20 70 CGIDMP CC[C@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161461177 372327117 /nfs/dbraw/zinc/32/71/17/372327117.db2.gz FHADZRMHAIFIRH-QGZVFWFLSA-N 2 1 275.440 3.341 20 70 CGIDMP CC[C@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161461177 372327126 /nfs/dbraw/zinc/32/71/26/372327126.db2.gz FHADZRMHAIFIRH-QGZVFWFLSA-N 2 1 275.440 3.341 20 70 CGIDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217657814 376177518 /nfs/dbraw/zinc/17/75/18/376177518.db2.gz MGUYTXXAPVGMMA-QGTPRVQTSA-N 2 1 288.435 3.363 20 70 CGIDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217657814 376177525 /nfs/dbraw/zinc/17/75/25/376177525.db2.gz MGUYTXXAPVGMMA-QGTPRVQTSA-N 2 1 288.435 3.363 20 70 CGIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680717 376179953 /nfs/dbraw/zinc/17/99/53/376179953.db2.gz HJDCDKXKPCABKR-RCBQFDQVSA-N 2 1 262.372 3.103 20 70 CGIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680717 376179961 /nfs/dbraw/zinc/17/99/61/376179961.db2.gz HJDCDKXKPCABKR-RCBQFDQVSA-N 2 1 262.372 3.103 20 70 CGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218129199 376185253 /nfs/dbraw/zinc/18/52/53/376185253.db2.gz GRDZHIMHAJTXTR-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218129199 376185258 /nfs/dbraw/zinc/18/52/58/376185258.db2.gz GRDZHIMHAJTXTR-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000161479799 292007854 /nfs/dbraw/zinc/00/78/54/292007854.db2.gz DIHDOXMHYAYRCR-KRWDZBQOSA-N 2 1 288.435 3.201 20 70 CGIDMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000217690323 270085166 /nfs/dbraw/zinc/08/51/66/270085166.db2.gz IUNGRGJVDADTQQ-RFIAZXKJSA-N 2 1 274.452 3.028 20 70 CGIDMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000217690323 270085167 /nfs/dbraw/zinc/08/51/67/270085167.db2.gz IUNGRGJVDADTQQ-RFIAZXKJSA-N 2 1 274.452 3.028 20 70 CGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038386 525613084 /nfs/dbraw/zinc/61/30/84/525613084.db2.gz NFXMAOUGOGQYBE-UBHSHLNASA-N 2 1 282.378 3.488 20 70 CGIDMP CCC[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000159800708 372181683 /nfs/dbraw/zinc/18/16/83/372181683.db2.gz RRJJMTJZQUTZMR-UHFFFAOYSA-N 2 1 272.392 3.397 20 70 CGIDMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695514 372170724 /nfs/dbraw/zinc/17/07/24/372170724.db2.gz VKZMAZBHIJVYDV-CZUORRHYSA-N 2 1 285.391 3.264 20 70 CGIDMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@@H]1CCOC1 ZINC000161021802 372296547 /nfs/dbraw/zinc/29/65/47/372296547.db2.gz MFERXAODZGCNQW-ZACQAIPSSA-N 2 1 296.499 3.292 20 70 CGIDMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[C@@H]1CCOC1 ZINC000161021802 372296555 /nfs/dbraw/zinc/29/65/55/372296555.db2.gz MFERXAODZGCNQW-ZACQAIPSSA-N 2 1 296.499 3.292 20 70 CGIDMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659378 372266670 /nfs/dbraw/zinc/26/66/70/372266670.db2.gz DAKBPLZLBWTDPV-UKRRQHHQSA-N 2 1 295.496 3.094 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659256 372266771 /nfs/dbraw/zinc/26/67/71/372266771.db2.gz DAKBPLZLBWTDPV-HIFRSBDPSA-N 2 1 295.496 3.094 20 70 CGIDMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217491959 376175278 /nfs/dbraw/zinc/17/52/78/376175278.db2.gz PNTPXZZIXQNRDM-UKRRQHHQSA-N 2 1 254.377 3.324 20 70 CGIDMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217643460 376177619 /nfs/dbraw/zinc/17/76/19/376177619.db2.gz XOZASSFMMFUZNR-GJZGRUSLSA-N 2 1 296.361 3.004 20 70 CGIDMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217643460 376177626 /nfs/dbraw/zinc/17/76/26/376177626.db2.gz XOZASSFMMFUZNR-GJZGRUSLSA-N 2 1 296.361 3.004 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680538 376179889 /nfs/dbraw/zinc/17/98/89/376179889.db2.gz HJDCDKXKPCABKR-MAZHCROVSA-N 2 1 262.372 3.103 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680538 376179897 /nfs/dbraw/zinc/17/98/97/376179897.db2.gz HJDCDKXKPCABKR-MAZHCROVSA-N 2 1 262.372 3.103 20 70 CGIDMP C(C[N@H+]1CCC[C@H]1C1CCC1)C[NH+]1CCCCC1 ZINC000160886533 392583406 /nfs/dbraw/zinc/58/34/06/392583406.db2.gz PLYKFVNOZOYHIY-INIZCTEOSA-N 2 1 250.430 3.127 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161453469 527392759 /nfs/dbraw/zinc/39/27/59/527392759.db2.gz CIRFGOCYCLKICI-UHFFFAOYSA-N 2 1 289.398 3.285 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1ccc(F)cc1 ZINC000161453469 527392766 /nfs/dbraw/zinc/39/27/66/527392766.db2.gz CIRFGOCYCLKICI-UHFFFAOYSA-N 2 1 289.398 3.285 20 70 CGIDMP Cc1nccn1CCCC[N@@H+](C1CC1)C1CCCC1 ZINC000161379276 372319790 /nfs/dbraw/zinc/31/97/90/372319790.db2.gz MXTQLVUBNVPUMO-UHFFFAOYSA-N 2 1 261.413 3.379 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1CCCC1 ZINC000161379276 372319798 /nfs/dbraw/zinc/31/97/98/372319798.db2.gz MXTQLVUBNVPUMO-UHFFFAOYSA-N 2 1 261.413 3.379 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1CCCC1 ZINC000161379276 372319804 /nfs/dbraw/zinc/31/98/04/372319804.db2.gz MXTQLVUBNVPUMO-UHFFFAOYSA-N 2 1 261.413 3.379 20 70 CGIDMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1SC ZINC000161501799 372329403 /nfs/dbraw/zinc/32/94/03/372329403.db2.gz SBLIWZCXFWNJGJ-LBPRGKRZSA-N 2 1 294.464 3.162 20 70 CGIDMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000217571398 376176189 /nfs/dbraw/zinc/17/61/89/376176189.db2.gz DSHKQURYYKKANV-KSSFIOAISA-N 2 1 288.435 3.004 20 70 CGIDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000161091759 289380604 /nfs/dbraw/zinc/38/06/04/289380604.db2.gz LEKPSWFVYIVIEN-YQQAZPJKSA-N 2 1 288.435 3.363 20 70 CGIDMP Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161363840 294385789 /nfs/dbraw/zinc/38/57/89/294385789.db2.gz FTQXCSQYJXKBNC-SFHVURJKSA-N 2 1 289.467 3.428 20 70 CGIDMP Cn1cccc1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161363840 294385790 /nfs/dbraw/zinc/38/57/90/294385790.db2.gz FTQXCSQYJXKBNC-SFHVURJKSA-N 2 1 289.467 3.428 20 70 CGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131854 525680079 /nfs/dbraw/zinc/68/00/79/525680079.db2.gz DBSLORBFQDQLEA-XBFCOCLRSA-N 2 1 282.378 3.488 20 70 CGIDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000160276472 372234165 /nfs/dbraw/zinc/23/41/65/372234165.db2.gz AQQLPOAZGDOVLX-KGLIPLIRSA-N 2 1 279.403 3.136 20 70 CGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000160276472 372234170 /nfs/dbraw/zinc/23/41/70/372234170.db2.gz AQQLPOAZGDOVLX-KGLIPLIRSA-N 2 1 279.403 3.136 20 70 CGIDMP CSc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217633184 376176600 /nfs/dbraw/zinc/17/66/00/376176600.db2.gz ZTYFXNHGVLVJPE-CVEARBPZSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217633184 376176605 /nfs/dbraw/zinc/17/66/05/376176605.db2.gz ZTYFXNHGVLVJPE-CVEARBPZSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217633184 376176609 /nfs/dbraw/zinc/17/66/09/376176609.db2.gz ZTYFXNHGVLVJPE-CVEARBPZSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217633184 376176615 /nfs/dbraw/zinc/17/66/15/376176615.db2.gz ZTYFXNHGVLVJPE-CVEARBPZSA-N 2 1 276.449 3.125 20 70 CGIDMP CC(C)[N@@H+](C)CCCNCc1cccc2c1OC(C)(C)C2 ZINC000217793746 376180074 /nfs/dbraw/zinc/18/00/74/376180074.db2.gz RZUKAZUOMOVBEM-UHFFFAOYSA-N 2 1 290.451 3.220 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359785 392584821 /nfs/dbraw/zinc/58/48/21/392584821.db2.gz UXPCPICRXBWRLF-JKIFEVAISA-N 2 1 290.426 3.176 20 70 CGIDMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217693485 270085146 /nfs/dbraw/zinc/08/51/46/270085146.db2.gz OCXXZHFVXSMTEP-VHZYLWGESA-N 2 1 284.447 3.457 20 70 CGIDMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217693485 270085147 /nfs/dbraw/zinc/08/51/47/270085147.db2.gz OCXXZHFVXSMTEP-VHZYLWGESA-N 2 1 284.447 3.457 20 70 CGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161080063 525612190 /nfs/dbraw/zinc/61/21/90/525612190.db2.gz JITPDQUFQWLWEL-UVBJJODRSA-N 2 1 282.378 3.488 20 70 CGIDMP c1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690448 376179514 /nfs/dbraw/zinc/17/95/14/376179514.db2.gz SXXYVJRSMPFUPQ-HIEASXQVSA-N 2 1 270.420 3.149 20 70 CGIDMP c1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690448 376179523 /nfs/dbraw/zinc/17/95/23/376179523.db2.gz SXXYVJRSMPFUPQ-HIEASXQVSA-N 2 1 270.420 3.149 20 70 CGIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111533 529344004 /nfs/dbraw/zinc/34/40/04/529344004.db2.gz QYCIOMHYPJIESW-UONOGXRCSA-N 2 1 266.404 3.077 20 70 CGIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111533 529344005 /nfs/dbraw/zinc/34/40/05/529344005.db2.gz QYCIOMHYPJIESW-UONOGXRCSA-N 2 1 266.404 3.077 20 70 CGIDMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000161430116 188527321 /nfs/dbraw/zinc/52/73/21/188527321.db2.gz IUQHICJMCXCQRS-KRWDZBQOSA-N 2 1 276.424 3.220 20 70 CGIDMP CC[C@@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161461041 280220607 /nfs/dbraw/zinc/22/06/07/280220607.db2.gz FHADZRMHAIFIRH-KRWDZBQOSA-N 2 1 275.440 3.341 20 70 CGIDMP CC[C@@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161461041 280220608 /nfs/dbraw/zinc/22/06/08/280220608.db2.gz FHADZRMHAIFIRH-KRWDZBQOSA-N 2 1 275.440 3.341 20 70 CGIDMP CC1CC[NH+](CCC[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000159633044 528240944 /nfs/dbraw/zinc/24/09/44/528240944.db2.gz LQWXVUDLLVIJDJ-UHFFFAOYSA-N 2 1 282.378 3.176 20 70 CGIDMP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000160400612 232245856 /nfs/dbraw/zinc/24/58/56/232245856.db2.gz GWJFXZMLAAMFIP-ZDUSSCGKSA-N 2 1 282.378 3.176 20 70 CGIDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(F)c1 ZINC000159627339 372162376 /nfs/dbraw/zinc/16/23/76/372162376.db2.gz WXNHQOLYQLRYFR-NSHDSACASA-N 2 1 279.403 3.181 20 70 CGIDMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264826 372232464 /nfs/dbraw/zinc/23/24/64/372232464.db2.gz ANSBVCSTRQCFPI-UONOGXRCSA-N 2 1 290.455 3.009 20 70 CGIDMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264826 372232468 /nfs/dbraw/zinc/23/24/68/372232468.db2.gz ANSBVCSTRQCFPI-UONOGXRCSA-N 2 1 290.455 3.009 20 70 CGIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026757 372296600 /nfs/dbraw/zinc/29/66/00/372296600.db2.gz LOMOWIFEAYZLBE-JKSUJKDBSA-N 2 1 296.499 3.292 20 70 CGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026757 372296609 /nfs/dbraw/zinc/29/66/09/372296609.db2.gz LOMOWIFEAYZLBE-JKSUJKDBSA-N 2 1 296.499 3.292 20 70 CGIDMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160428206 372246627 /nfs/dbraw/zinc/24/66/27/372246627.db2.gz ATXFYZGWUQLBEJ-HOTGVXAUSA-N 2 1 290.451 3.043 20 70 CGIDMP COc1cccc(CCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000160496821 372252556 /nfs/dbraw/zinc/25/25/56/372252556.db2.gz FGFYLRALFMHYSU-UHFFFAOYSA-N 2 1 290.451 3.090 20 70 CGIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217631027 376177583 /nfs/dbraw/zinc/17/75/83/376177583.db2.gz CCULJWMTQSQBTH-PVAVHDDUSA-N 2 1 258.409 3.007 20 70 CGIDMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217631027 376177590 /nfs/dbraw/zinc/17/75/90/376177590.db2.gz CCULJWMTQSQBTH-PVAVHDDUSA-N 2 1 258.409 3.007 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217678809 292247828 /nfs/dbraw/zinc/24/78/28/292247828.db2.gz RKQHXNIECJWZDH-UAGQMJEPSA-N 2 1 258.409 3.272 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217678809 292247829 /nfs/dbraw/zinc/24/78/29/292247829.db2.gz RKQHXNIECJWZDH-UAGQMJEPSA-N 2 1 258.409 3.272 20 70 CGIDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000161095812 572882592 /nfs/dbraw/zinc/88/25/92/572882592.db2.gz IXPOATPZVXTTQR-AWEZNQCLSA-N 2 1 272.392 3.253 20 70 CGIDMP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3)C2)CCCC1 ZINC000160705489 232246993 /nfs/dbraw/zinc/24/69/93/232246993.db2.gz YJVKGNHKYUGHMT-UHFFFAOYSA-N 2 1 272.436 3.397 20 70 CGIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000160478911 372251835 /nfs/dbraw/zinc/25/18/35/372251835.db2.gz HHPBMCNIIOCXNG-SFHVURJKSA-N 2 1 290.451 3.043 20 70 CGIDMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000217472243 376173798 /nfs/dbraw/zinc/17/37/98/376173798.db2.gz DQKOMGOZEFGIEE-KYHPRHEASA-N 2 1 274.452 3.499 20 70 CGIDMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217643379 376176339 /nfs/dbraw/zinc/17/63/39/376176339.db2.gz XOZASSFMMFUZNR-CABCVRRESA-N 2 1 296.361 3.004 20 70 CGIDMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217643379 376176345 /nfs/dbraw/zinc/17/63/45/376176345.db2.gz XOZASSFMMFUZNR-CABCVRRESA-N 2 1 296.361 3.004 20 70 CGIDMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365506 376187055 /nfs/dbraw/zinc/18/70/55/376187055.db2.gz YRMMAWVBIRMILQ-YOEHRIQHSA-N 2 1 283.419 3.116 20 70 CGIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000217933885 392996287 /nfs/dbraw/zinc/99/62/87/392996287.db2.gz SVQDQGQKRDKHMJ-JYYAWHABSA-N 2 1 260.425 3.108 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161079843 525561925 /nfs/dbraw/zinc/56/19/25/525561925.db2.gz JITPDQUFQWLWEL-XZJROXQQSA-N 2 1 282.378 3.488 20 70 CGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161079943 525637809 /nfs/dbraw/zinc/63/78/09/525637809.db2.gz JITPDQUFQWLWEL-LYRGGWFBSA-N 2 1 282.378 3.488 20 70 CGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038511 525678782 /nfs/dbraw/zinc/67/87/82/525678782.db2.gz NFXMAOUGOGQYBE-XBFCOCLRSA-N 2 1 282.378 3.488 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000161502247 527393368 /nfs/dbraw/zinc/39/33/68/527393368.db2.gz NEJWZGIWLJCJCI-CYBMUJFWSA-N 2 1 261.369 3.258 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccco1 ZINC000161502247 527393371 /nfs/dbraw/zinc/39/33/71/527393371.db2.gz NEJWZGIWLJCJCI-CYBMUJFWSA-N 2 1 261.369 3.258 20 70 CGIDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160909965 346172893 /nfs/dbraw/zinc/17/28/93/346172893.db2.gz BNDCJIHKFLOZPO-GFCCVEGCSA-N 2 1 284.806 3.299 20 70 CGIDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160909965 346172897 /nfs/dbraw/zinc/17/28/97/346172897.db2.gz BNDCJIHKFLOZPO-GFCCVEGCSA-N 2 1 284.806 3.299 20 70 CGIDMP CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160823808 372278873 /nfs/dbraw/zinc/27/88/73/372278873.db2.gz KJCHJVVSQNHVKW-YJBOKZPZSA-N 2 1 290.451 3.295 20 70 CGIDMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000161461232 372327167 /nfs/dbraw/zinc/32/71/67/372327167.db2.gz ZXBFZSYTKRWLQW-IAGOWNOFSA-N 2 1 258.409 3.007 20 70 CGIDMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218126977 270085504 /nfs/dbraw/zinc/08/55/04/270085504.db2.gz ODXKAJDQIRXZHV-ROUUACIJSA-N 2 1 272.436 3.328 20 70 CGIDMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218126977 270085505 /nfs/dbraw/zinc/08/55/05/270085505.db2.gz ODXKAJDQIRXZHV-ROUUACIJSA-N 2 1 272.436 3.328 20 70 CGIDMP CC[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161311006 529523819 /nfs/dbraw/zinc/52/38/19/529523819.db2.gz HMKNFICJMHZLQZ-INIZCTEOSA-N 2 1 252.446 3.375 20 70 CGIDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160910106 346173076 /nfs/dbraw/zinc/17/30/76/346173076.db2.gz BNDCJIHKFLOZPO-LBPRGKRZSA-N 2 1 284.806 3.299 20 70 CGIDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160910106 346173078 /nfs/dbraw/zinc/17/30/78/346173078.db2.gz BNDCJIHKFLOZPO-LBPRGKRZSA-N 2 1 284.806 3.299 20 70 CGIDMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000161234540 372310673 /nfs/dbraw/zinc/31/06/73/372310673.db2.gz HBYRTFVHLPHQMG-DLBZAZTESA-N 2 1 290.451 3.002 20 70 CGIDMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1F ZINC000218228710 376186559 /nfs/dbraw/zinc/18/65/59/376186559.db2.gz RQVLQNNYVAMUGB-ZDUSSCGKSA-N 2 1 282.403 3.215 20 70 CGIDMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1F ZINC000218228710 376186562 /nfs/dbraw/zinc/18/65/62/376186562.db2.gz RQVLQNNYVAMUGB-ZDUSSCGKSA-N 2 1 282.403 3.215 20 70 CGIDMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691685 270085233 /nfs/dbraw/zinc/08/52/33/270085233.db2.gz PNCSVKYGZHFYCK-BTRQGYIVSA-N 2 1 284.447 3.457 20 70 CGIDMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691685 270085234 /nfs/dbraw/zinc/08/52/34/270085234.db2.gz PNCSVKYGZHFYCK-BTRQGYIVSA-N 2 1 284.447 3.457 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972766 274339595 /nfs/dbraw/zinc/33/95/95/274339595.db2.gz DGQHNIJNJANJDM-YQYZPQCESA-N 2 1 272.436 3.035 20 70 CGIDMP C(C[N@H+]1CCC[C@@H]1C1CCC1)C[NH+]1CCCCC1 ZINC000160886392 518389871 /nfs/dbraw/zinc/38/98/71/518389871.db2.gz PLYKFVNOZOYHIY-MRXNPFEDSA-N 2 1 250.430 3.127 20 70 CGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038270 525638713 /nfs/dbraw/zinc/63/87/13/525638713.db2.gz NFXMAOUGOGQYBE-BNOWGMLFSA-N 2 1 282.378 3.488 20 70 CGIDMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217632607 346291020 /nfs/dbraw/zinc/29/10/20/346291020.db2.gz ILXQLUVIZJKCJZ-MSOLQXFVSA-N 2 1 288.435 3.192 20 70 CGIDMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217632607 346291023 /nfs/dbraw/zinc/29/10/23/346291023.db2.gz ILXQLUVIZJKCJZ-MSOLQXFVSA-N 2 1 288.435 3.192 20 70 CGIDMP CC(C)n1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000159633725 372162952 /nfs/dbraw/zinc/16/29/52/372162952.db2.gz CLVXDNKQBNQJFG-CYBMUJFWSA-N 2 1 292.471 3.424 20 70 CGIDMP C[C@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@H+]1C ZINC000160476137 372250714 /nfs/dbraw/zinc/25/07/14/372250714.db2.gz OMWSFKPFOYIPRP-GJZGRUSLSA-N 2 1 290.476 3.384 20 70 CGIDMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513501 376175021 /nfs/dbraw/zinc/17/50/21/376175021.db2.gz IBGDPNFHYIAESK-NEPJUHHUSA-N 2 1 286.341 3.437 20 70 CGIDMP Cc1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000218044596 376183492 /nfs/dbraw/zinc/18/34/92/376183492.db2.gz IOAPMOAVHXIKIV-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000218044596 376183501 /nfs/dbraw/zinc/18/35/01/376183501.db2.gz IOAPMOAVHXIKIV-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP COc1ccc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000161353907 533100484 /nfs/dbraw/zinc/10/04/84/533100484.db2.gz YVWQWFGJUXVPGQ-CQSZACIVSA-N 2 1 287.407 3.283 20 70 CGIDMP COc1ccc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000161353907 533100486 /nfs/dbraw/zinc/10/04/86/533100486.db2.gz YVWQWFGJUXVPGQ-CQSZACIVSA-N 2 1 287.407 3.283 20 70 CGIDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000160611811 321855077 /nfs/dbraw/zinc/85/50/77/321855077.db2.gz MUFLLQPDGMKKEV-SFHVURJKSA-N 2 1 290.451 3.043 20 70 CGIDMP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000160400735 232245635 /nfs/dbraw/zinc/24/56/35/232245635.db2.gz GWJFXZMLAAMFIP-CYBMUJFWSA-N 2 1 282.378 3.176 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466341 372145989 /nfs/dbraw/zinc/14/59/89/372145989.db2.gz RQPZYGVAYVMFEQ-AEFFLSMTSA-N 2 1 274.452 3.166 20 70 CGIDMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695376 372169703 /nfs/dbraw/zinc/16/97/03/372169703.db2.gz VKZMAZBHIJVYDV-BBRMVZONSA-N 2 1 285.391 3.264 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160333503 372239715 /nfs/dbraw/zinc/23/97/15/372239715.db2.gz JKUSHDYRQACIEL-YJBOKZPZSA-N 2 1 290.451 3.119 20 70 CGIDMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160428078 372246042 /nfs/dbraw/zinc/24/60/42/372246042.db2.gz ATXFYZGWUQLBEJ-CVEARBPZSA-N 2 1 290.451 3.043 20 70 CGIDMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160696700 372269419 /nfs/dbraw/zinc/26/94/19/372269419.db2.gz FFMRFNJRHHYRRR-SQNIBIBYSA-N 2 1 296.499 3.028 20 70 CGIDMP C[N@H+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161133877 372303850 /nfs/dbraw/zinc/30/38/50/372303850.db2.gz KCDRIHUPRADFTC-YIONKMFJSA-N 2 1 282.790 3.194 20 70 CGIDMP C[N@@H+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161133877 372303856 /nfs/dbraw/zinc/30/38/56/372303856.db2.gz KCDRIHUPRADFTC-YIONKMFJSA-N 2 1 282.790 3.194 20 70 CGIDMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000161506595 372330996 /nfs/dbraw/zinc/33/09/96/372330996.db2.gz DTNXRCCOENHOBF-GOSISDBHSA-N 2 1 274.452 3.328 20 70 CGIDMP CN(C)c1cccc(C[N@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000161444663 522266561 /nfs/dbraw/zinc/26/65/61/522266561.db2.gz TUGFQKLISUDDCB-UHFFFAOYSA-N 2 1 289.467 3.060 20 70 CGIDMP CN(C)c1cccc(C[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000161444663 522266563 /nfs/dbraw/zinc/26/65/63/522266563.db2.gz TUGFQKLISUDDCB-UHFFFAOYSA-N 2 1 289.467 3.060 20 70 CGIDMP COc1ccccc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000161280244 524434276 /nfs/dbraw/zinc/43/42/76/524434276.db2.gz LULHCWDUVAFXJA-UHFFFAOYSA-N 2 1 287.407 3.112 20 70 CGIDMP COc1ccccc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000161280244 524434287 /nfs/dbraw/zinc/43/42/87/524434287.db2.gz LULHCWDUVAFXJA-UHFFFAOYSA-N 2 1 287.407 3.112 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000160333361 372239765 /nfs/dbraw/zinc/23/97/65/372239765.db2.gz JKUSHDYRQACIEL-QAPCUYQASA-N 2 1 290.451 3.119 20 70 CGIDMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000159815579 372182998 /nfs/dbraw/zinc/18/29/98/372182998.db2.gz GFCMXMKHYWDVES-UHFFFAOYSA-N 2 1 270.376 3.149 20 70 CGIDMP Cc1csc(CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000160668149 372266634 /nfs/dbraw/zinc/26/66/34/372266634.db2.gz TWJWHUUWELFZTQ-NWANDNLSSA-N 2 1 295.496 3.093 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359550 392584631 /nfs/dbraw/zinc/58/46/31/392584631.db2.gz UXPCPICRXBWRLF-KEYYUXOJSA-N 2 1 290.426 3.176 20 70 CGIDMP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000161479905 292010160 /nfs/dbraw/zinc/01/01/60/292010160.db2.gz DIHDOXMHYAYRCR-QGZVFWFLSA-N 2 1 288.435 3.201 20 70 CGIDMP CCCO[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161026358 520285294 /nfs/dbraw/zinc/28/52/94/520285294.db2.gz GGUDAFMBVBCIMV-KRWDZBQOSA-N 2 1 282.472 3.144 20 70 CGIDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783068 372180181 /nfs/dbraw/zinc/18/01/81/372180181.db2.gz BSMVIEBNYCTMIF-KRWDZBQOSA-N 2 1 269.392 3.071 20 70 CGIDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783068 372180185 /nfs/dbraw/zinc/18/01/85/372180185.db2.gz BSMVIEBNYCTMIF-KRWDZBQOSA-N 2 1 269.392 3.071 20 70 CGIDMP c1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161300013 372315841 /nfs/dbraw/zinc/31/58/41/372315841.db2.gz SMXZMWIAQGVZNB-SFHVURJKSA-N 2 1 272.436 3.352 20 70 CGIDMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110291 572414097 /nfs/dbraw/zinc/41/40/97/572414097.db2.gz LEAQSKYLBXKSIV-YOEHRIQHSA-N 2 1 284.403 3.397 20 70 CGIDMP C[N@H+](Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159759137 372176753 /nfs/dbraw/zinc/17/67/53/372176753.db2.gz DDINKPDVGBARGP-QGZVFWFLSA-N 2 1 254.377 3.009 20 70 CGIDMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159759137 372176760 /nfs/dbraw/zinc/17/67/60/372176760.db2.gz DDINKPDVGBARGP-QGZVFWFLSA-N 2 1 254.377 3.009 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767801 372177958 /nfs/dbraw/zinc/17/79/58/372177958.db2.gz PBYQQYMIKQOYOK-CKEIUWERSA-N 2 1 278.415 3.077 20 70 CGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218129288 376184976 /nfs/dbraw/zinc/18/49/76/376184976.db2.gz GRDZHIMHAJTXTR-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218129288 376184982 /nfs/dbraw/zinc/18/49/82/376184982.db2.gz GRDZHIMHAJTXTR-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP C[C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C[NH+]1CCCC1 ZINC000160935157 372289391 /nfs/dbraw/zinc/28/93/91/372289391.db2.gz PKHYUGFEQOCRFF-GFCCVEGCSA-N 2 1 284.806 3.301 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355483 372317950 /nfs/dbraw/zinc/31/79/50/372317950.db2.gz HPEVQKMFMMOKSM-PBHICJAKSA-N 2 1 290.426 3.177 20 70 CGIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218117126 376185320 /nfs/dbraw/zinc/18/53/20/376185320.db2.gz QVMRBZNTWHHGBZ-ROUUACIJSA-N 2 1 288.435 3.190 20 70 CGIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218117126 376185325 /nfs/dbraw/zinc/18/53/25/376185325.db2.gz QVMRBZNTWHHGBZ-ROUUACIJSA-N 2 1 288.435 3.190 20 70 CGIDMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016437 525335818 /nfs/dbraw/zinc/33/58/18/525335818.db2.gz YQRBXJWLMRNFDO-IHRRRGAJSA-N 2 1 294.414 3.358 20 70 CGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131584 525638149 /nfs/dbraw/zinc/63/81/49/525638149.db2.gz DBSLORBFQDQLEA-BNOWGMLFSA-N 2 1 282.378 3.488 20 70 CGIDMP C[C@H](C1CC1)[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160578418 232245265 /nfs/dbraw/zinc/24/52/65/232245265.db2.gz CAADLFTYEXUTND-CQSZACIVSA-N 2 1 250.430 3.125 20 70 CGIDMP C[C@H](C1CC1)[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160578418 232245267 /nfs/dbraw/zinc/24/52/67/232245267.db2.gz CAADLFTYEXUTND-CQSZACIVSA-N 2 1 250.430 3.125 20 70 CGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000160761238 372273103 /nfs/dbraw/zinc/27/31/03/372273103.db2.gz WADDDWDJTYIHBJ-MSOLQXFVSA-N 2 1 296.499 3.172 20 70 CGIDMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217675296 376176419 /nfs/dbraw/zinc/17/64/19/376176419.db2.gz SRZUNUYAHIYJPN-XIRDDKMYSA-N 2 1 258.409 3.272 20 70 CGIDMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217675296 376176422 /nfs/dbraw/zinc/17/64/22/376176422.db2.gz SRZUNUYAHIYJPN-XIRDDKMYSA-N 2 1 258.409 3.272 20 70 CGIDMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160427852 321851780 /nfs/dbraw/zinc/85/17/80/321851780.db2.gz ATXFYZGWUQLBEJ-HZPDHXFCSA-N 2 1 290.451 3.043 20 70 CGIDMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110422 572337764 /nfs/dbraw/zinc/33/77/64/572337764.db2.gz LEAQSKYLBXKSIV-PBHICJAKSA-N 2 1 284.403 3.397 20 70 CGIDMP c1cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)ccn1 ZINC000161459915 188529290 /nfs/dbraw/zinc/52/92/90/188529290.db2.gz HLONFDQAUHMAMV-QGZVFWFLSA-N 2 1 273.424 3.095 20 70 CGIDMP c1cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)ccn1 ZINC000161459915 188529292 /nfs/dbraw/zinc/52/92/92/188529292.db2.gz HLONFDQAUHMAMV-QGZVFWFLSA-N 2 1 273.424 3.095 20 70 CGIDMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055241 372298665 /nfs/dbraw/zinc/29/86/65/372298665.db2.gz ARSNRRJLBKMKHQ-KFWWJZLASA-N 2 1 276.424 3.219 20 70 CGIDMP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000161506719 372330548 /nfs/dbraw/zinc/33/05/48/372330548.db2.gz DTNXRCCOENHOBF-SFHVURJKSA-N 2 1 274.452 3.328 20 70 CGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639913 392994503 /nfs/dbraw/zinc/99/45/03/392994503.db2.gz BIRAQLCPVXAGPZ-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639913 392994507 /nfs/dbraw/zinc/99/45/07/392994507.db2.gz BIRAQLCPVXAGPZ-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654573 392994929 /nfs/dbraw/zinc/99/49/29/392994929.db2.gz VJSSOMRHRWVQMD-GJZGRUSLSA-N 2 1 298.352 3.422 20 70 CGIDMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654573 392994936 /nfs/dbraw/zinc/99/49/36/392994936.db2.gz VJSSOMRHRWVQMD-GJZGRUSLSA-N 2 1 298.352 3.422 20 70 CGIDMP C[C@@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@H+]1C ZINC000160475748 372249770 /nfs/dbraw/zinc/24/97/70/372249770.db2.gz OMWSFKPFOYIPRP-HUUCEWRRSA-N 2 1 290.476 3.384 20 70 CGIDMP Fc1cc(Cl)ccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160767307 372273881 /nfs/dbraw/zinc/27/38/81/372273881.db2.gz PYWMDGZXFRPDPM-LLVKDONJSA-N 2 1 282.790 3.053 20 70 CGIDMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811218 372276663 /nfs/dbraw/zinc/27/66/63/372276663.db2.gz HWCOVEHGGDJEHN-NVXWUHKLSA-N 2 1 298.430 3.291 20 70 CGIDMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811218 372276669 /nfs/dbraw/zinc/27/66/69/372276669.db2.gz HWCOVEHGGDJEHN-NVXWUHKLSA-N 2 1 298.430 3.291 20 70 CGIDMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304870 392581672 /nfs/dbraw/zinc/58/16/72/392581672.db2.gz DBPAPNUZBTXZBM-RBSFLKMASA-N 2 1 294.414 3.055 20 70 CGIDMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCCC2 ZINC000160676058 286490649 /nfs/dbraw/zinc/49/06/49/286490649.db2.gz HQVGSEHWRQUIER-CVEARBPZSA-N 2 1 294.483 3.188 20 70 CGIDMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160437 /nfs/dbraw/zinc/16/04/37/521160437.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 2 1 276.424 3.001 20 70 CGIDMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160449 /nfs/dbraw/zinc/16/04/49/521160449.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 2 1 276.424 3.001 20 70 CGIDMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160460 /nfs/dbraw/zinc/16/04/60/521160460.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 2 1 276.424 3.001 20 70 CGIDMP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141623 524027260 /nfs/dbraw/zinc/02/72/60/524027260.db2.gz VOKWHUBYCHUZIT-RDBSUJKOSA-N 2 1 264.413 3.365 20 70 CGIDMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016544 525165079 /nfs/dbraw/zinc/16/50/79/525165079.db2.gz YQRBXJWLMRNFDO-RDBSUJKOSA-N 2 1 294.414 3.358 20 70 CGIDMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161231690 372310694 /nfs/dbraw/zinc/31/06/94/372310694.db2.gz HVZPOFDBODEVKB-IAGOWNOFSA-N 2 1 290.451 3.145 20 70 CGIDMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691792 376180154 /nfs/dbraw/zinc/18/01/54/376180154.db2.gz DAIWEKBTOAOYMR-SYNTWQANSA-N 2 1 288.410 3.288 20 70 CGIDMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691792 376180159 /nfs/dbraw/zinc/18/01/59/376180159.db2.gz DAIWEKBTOAOYMR-SYNTWQANSA-N 2 1 288.410 3.288 20 70 CGIDMP C(C[N@H+]1CCC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000161317989 518387211 /nfs/dbraw/zinc/38/72/11/518387211.db2.gz OSEXMYIKGUBJLM-UHFFFAOYSA-N 2 1 250.430 3.129 20 70 CGIDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000161095681 572882694 /nfs/dbraw/zinc/88/26/94/572882694.db2.gz IXPOATPZVXTTQR-CQSZACIVSA-N 2 1 272.392 3.253 20 70 CGIDMP c1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000159817897 372182769 /nfs/dbraw/zinc/18/27/69/372182769.db2.gz VFKIBPZBDJPGGF-CYBMUJFWSA-N 2 1 270.376 3.007 20 70 CGIDMP CCOCCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172693 372220434 /nfs/dbraw/zinc/22/04/34/372220434.db2.gz WVXVXZNAYDPYFB-OWCLPIDISA-N 2 1 294.439 3.067 20 70 CGIDMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691870 376179328 /nfs/dbraw/zinc/17/93/28/376179328.db2.gz DAIWEKBTOAOYMR-KXIUCKCTSA-N 2 1 288.410 3.288 20 70 CGIDMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691870 376179335 /nfs/dbraw/zinc/17/93/35/376179335.db2.gz DAIWEKBTOAOYMR-KXIUCKCTSA-N 2 1 288.410 3.288 20 70 CGIDMP CC(C)n1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000159633870 280768365 /nfs/dbraw/zinc/76/83/65/280768365.db2.gz CLVXDNKQBNQJFG-ZDUSSCGKSA-N 2 1 292.471 3.424 20 70 CGIDMP C(C[NH+]1CCCCC1)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000160769604 518386448 /nfs/dbraw/zinc/38/64/48/518386448.db2.gz UVZSDTUFTFVXSB-UHFFFAOYSA-N 2 1 294.483 3.286 20 70 CGIDMP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160388065 524261660 /nfs/dbraw/zinc/26/16/60/524261660.db2.gz HVVQQOCDGZYIGP-JKSUJKDBSA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ncc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC000159608724 372160621 /nfs/dbraw/zinc/16/06/21/372160621.db2.gz FFGHFLCLEAAIQK-LBPRGKRZSA-N 2 1 290.455 3.053 20 70 CGIDMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695237 372169466 /nfs/dbraw/zinc/16/94/66/372169466.db2.gz VKZMAZBHIJVYDV-CJNGLKHVSA-N 2 1 285.391 3.264 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359669 392584411 /nfs/dbraw/zinc/58/44/11/392584411.db2.gz UXPCPICRXBWRLF-CKEIUWERSA-N 2 1 290.426 3.176 20 70 CGIDMP C[C@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811345 372277531 /nfs/dbraw/zinc/27/75/31/372277531.db2.gz HWCOVEHGGDJEHN-DOTOQJQBSA-N 2 1 298.430 3.291 20 70 CGIDMP C[C@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811345 372277535 /nfs/dbraw/zinc/27/75/35/372277535.db2.gz HWCOVEHGGDJEHN-DOTOQJQBSA-N 2 1 298.430 3.291 20 70 CGIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472379 372328003 /nfs/dbraw/zinc/32/80/03/372328003.db2.gz VRHLLPYAOAHVTL-INIZCTEOSA-N 2 1 288.435 3.014 20 70 CGIDMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160572636 321853750 /nfs/dbraw/zinc/85/37/50/321853750.db2.gz XROTXJYZPHPOHX-JKSUJKDBSA-N 2 1 290.451 3.043 20 70 CGIDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000160121714 533809753 /nfs/dbraw/zinc/80/97/53/533809753.db2.gz YWAWCFSNHFWLNK-AWEZNQCLSA-N 2 1 290.426 3.221 20 70 CGIDMP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141509 524047054 /nfs/dbraw/zinc/04/70/54/524047054.db2.gz VOKWHUBYCHUZIT-MJBXVCDLSA-N 2 1 264.413 3.365 20 70 CGIDMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016336 525160706 /nfs/dbraw/zinc/16/07/06/525160706.db2.gz YQRBXJWLMRNFDO-MCIONIFRSA-N 2 1 294.414 3.358 20 70 CGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161080181 525679622 /nfs/dbraw/zinc/67/96/22/525679622.db2.gz JITPDQUFQWLWEL-RLCCDNCMSA-N 2 1 282.378 3.488 20 70 CGIDMP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212835 372225583 /nfs/dbraw/zinc/22/55/83/372225583.db2.gz SJPKGPYFKXHQQB-GUYCJALGSA-N 2 1 296.418 3.026 20 70 CGIDMP C(C[N@H+](C1CC1)C1CCCC1)C[NH+]1CCCCC1 ZINC000161015133 372294690 /nfs/dbraw/zinc/29/46/90/372294690.db2.gz YWSORZJXHSOSAF-UHFFFAOYSA-N 2 1 250.430 3.269 20 70 CGIDMP C(C[N@@H+](C1CC1)C1CCCC1)C[NH+]1CCCCC1 ZINC000161015133 372294694 /nfs/dbraw/zinc/29/46/94/372294694.db2.gz YWSORZJXHSOSAF-UHFFFAOYSA-N 2 1 250.430 3.269 20 70 CGIDMP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000161234657 372311352 /nfs/dbraw/zinc/31/13/52/372311352.db2.gz HBYRTFVHLPHQMG-IRXDYDNUSA-N 2 1 290.451 3.002 20 70 CGIDMP CCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000161242953 372312964 /nfs/dbraw/zinc/31/29/64/372312964.db2.gz AXCZENIYNKDSNR-UHFFFAOYSA-N 2 1 282.378 3.319 20 70 CGIDMP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212676 372226555 /nfs/dbraw/zinc/22/65/55/372226555.db2.gz SJPKGPYFKXHQQB-SUMWQHHRSA-N 2 1 296.418 3.026 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160998928 372294910 /nfs/dbraw/zinc/29/49/10/372294910.db2.gz KGSYORZOLLUYOG-MJBXVCDLSA-N 2 1 264.388 3.349 20 70 CGIDMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000161430232 372324248 /nfs/dbraw/zinc/32/42/48/372324248.db2.gz IUQHICJMCXCQRS-QGZVFWFLSA-N 2 1 276.424 3.220 20 70 CGIDMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000217566849 376177758 /nfs/dbraw/zinc/17/77/58/376177758.db2.gz LGHUHRRNRCXRIY-KSSFIOAISA-N 2 1 288.435 3.078 20 70 CGIDMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217692249 376179040 /nfs/dbraw/zinc/17/90/40/376179040.db2.gz YOQSSEMILQAWDN-GNNGFNCTSA-N 2 1 288.410 3.288 20 70 CGIDMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217692249 376179045 /nfs/dbraw/zinc/17/90/45/376179045.db2.gz YOQSSEMILQAWDN-GNNGFNCTSA-N 2 1 288.410 3.288 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972632 274340566 /nfs/dbraw/zinc/34/05/66/274340566.db2.gz DGQHNIJNJANJDM-AHEZYBDSSA-N 2 1 272.436 3.035 20 70 CGIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487388 524556534 /nfs/dbraw/zinc/55/65/34/524556534.db2.gz JBCHIOHHXHREAX-HOCLYGCPSA-N 2 1 290.476 3.241 20 70 CGIDMP C[N@H+](Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159759013 372176598 /nfs/dbraw/zinc/17/65/98/372176598.db2.gz DDINKPDVGBARGP-KRWDZBQOSA-N 2 1 254.377 3.009 20 70 CGIDMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159759013 372176609 /nfs/dbraw/zinc/17/66/09/372176609.db2.gz DDINKPDVGBARGP-KRWDZBQOSA-N 2 1 254.377 3.009 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127254 372304179 /nfs/dbraw/zinc/30/41/79/372304179.db2.gz BMKJRCPKYKPEMF-IHRRRGAJSA-N 2 1 250.386 3.111 20 70 CGIDMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055122 372298119 /nfs/dbraw/zinc/29/81/19/372298119.db2.gz ARSNRRJLBKMKHQ-ZNMIVQPWSA-N 2 1 276.424 3.219 20 70 CGIDMP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160815317 372277503 /nfs/dbraw/zinc/27/75/03/372277503.db2.gz WAXIVDROTWTWQK-NVXWUHKLSA-N 2 1 290.451 3.438 20 70 CGIDMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000217510130 376174596 /nfs/dbraw/zinc/17/45/96/376174596.db2.gz QRRSULBZKRZEJD-HOTGVXAUSA-N 2 1 260.425 3.344 20 70 CGIDMP CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000159377716 392579032 /nfs/dbraw/zinc/57/90/32/392579032.db2.gz ZERAIUAXYKNGKX-TUVASFSCSA-N 2 1 270.486 3.123 20 70 CGIDMP CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000159377716 392579038 /nfs/dbraw/zinc/57/90/38/392579038.db2.gz ZERAIUAXYKNGKX-TUVASFSCSA-N 2 1 270.486 3.123 20 70 CGIDMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000159377312 392579312 /nfs/dbraw/zinc/57/93/12/392579312.db2.gz ZERAIUAXYKNGKX-LXTVHRRPSA-N 2 1 270.486 3.123 20 70 CGIDMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000159377312 392579316 /nfs/dbraw/zinc/57/93/16/392579316.db2.gz ZERAIUAXYKNGKX-LXTVHRRPSA-N 2 1 270.486 3.123 20 70 CGIDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687954 392993788 /nfs/dbraw/zinc/99/37/88/392993788.db2.gz AJIFWQUCXMDEPG-ULQDDVLXSA-N 2 1 258.409 3.354 20 70 CGIDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687954 392993794 /nfs/dbraw/zinc/99/37/94/392993794.db2.gz AJIFWQUCXMDEPG-ULQDDVLXSA-N 2 1 258.409 3.354 20 70 CGIDMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217692164 392994686 /nfs/dbraw/zinc/99/46/86/392994686.db2.gz YOQSSEMILQAWDN-PCHAPFSGSA-N 2 1 288.410 3.288 20 70 CGIDMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217692164 392994695 /nfs/dbraw/zinc/99/46/95/392994695.db2.gz YOQSSEMILQAWDN-PCHAPFSGSA-N 2 1 288.410 3.288 20 70 CGIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487312 524893902 /nfs/dbraw/zinc/89/39/02/524893902.db2.gz JBCHIOHHXHREAX-ZBFHGGJFSA-N 2 1 290.476 3.241 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038131 525560759 /nfs/dbraw/zinc/56/07/59/525560759.db2.gz NFXMAOUGOGQYBE-YUTCNCBUSA-N 2 1 282.378 3.488 20 70 CGIDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000161091624 282194287 /nfs/dbraw/zinc/19/42/87/282194287.db2.gz LEKPSWFVYIVIEN-ZMSDIMECSA-N 2 1 288.435 3.363 20 70 CGIDMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(CC)CC ZINC000161292404 372314544 /nfs/dbraw/zinc/31/45/44/372314544.db2.gz SMUUOFWNQHWKHP-LVQVYYBASA-N 2 1 282.472 3.043 20 70 CGIDMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(CC)CC ZINC000161292404 372314549 /nfs/dbraw/zinc/31/45/49/372314549.db2.gz SMUUOFWNQHWKHP-LVQVYYBASA-N 2 1 282.472 3.043 20 70 CGIDMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217491878 376174570 /nfs/dbraw/zinc/17/45/70/376174570.db2.gz PNTPXZZIXQNRDM-DZGCQCFKSA-N 2 1 254.377 3.324 20 70 CGIDMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160572894 372259494 /nfs/dbraw/zinc/25/94/94/372259494.db2.gz XROTXJYZPHPOHX-HOTGVXAUSA-N 2 1 290.451 3.043 20 70 CGIDMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1SC ZINC000161501912 372329162 /nfs/dbraw/zinc/32/91/62/372329162.db2.gz SBLIWZCXFWNJGJ-GFCCVEGCSA-N 2 1 294.464 3.162 20 70 CGIDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000160121856 278335913 /nfs/dbraw/zinc/33/59/13/278335913.db2.gz YWAWCFSNHFWLNK-CQSZACIVSA-N 2 1 290.426 3.221 20 70 CGIDMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157591 /nfs/dbraw/zinc/15/75/91/521157591.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 2 1 276.424 3.001 20 70 CGIDMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157598 /nfs/dbraw/zinc/15/75/98/521157598.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 2 1 276.424 3.001 20 70 CGIDMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157605 /nfs/dbraw/zinc/15/76/05/521157605.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 2 1 276.424 3.001 20 70 CGIDMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000161275814 524002446 /nfs/dbraw/zinc/00/24/46/524002446.db2.gz ZWESFWNSFGUGQC-UHFFFAOYSA-N 2 1 287.407 3.112 20 70 CGIDMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000161275814 524002452 /nfs/dbraw/zinc/00/24/52/524002452.db2.gz ZWESFWNSFGUGQC-UHFFFAOYSA-N 2 1 287.407 3.112 20 70 CGIDMP c1ccc2c(c1)CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000161007662 526501952 /nfs/dbraw/zinc/50/19/52/526501952.db2.gz SQCZNVDWUYNZOJ-UHFFFAOYSA-N 2 1 272.436 3.311 20 70 CGIDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCC(C)C)CC1 ZINC000161494640 527392253 /nfs/dbraw/zinc/39/22/53/527392253.db2.gz ILBZWMDTFOXAQB-UHFFFAOYSA-N 2 1 293.455 3.109 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767527 372177321 /nfs/dbraw/zinc/17/73/21/372177321.db2.gz PBYQQYMIKQOYOK-CPUCHLNUSA-N 2 1 278.415 3.077 20 70 CGIDMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160427965 372246237 /nfs/dbraw/zinc/24/62/37/372246237.db2.gz ATXFYZGWUQLBEJ-JKSUJKDBSA-N 2 1 290.451 3.043 20 70 CGIDMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000161367196 372319057 /nfs/dbraw/zinc/31/90/57/372319057.db2.gz IGIGPXAJPGOPOG-UHFFFAOYSA-N 2 1 299.418 3.167 20 70 CGIDMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCCC2 ZINC000160675658 286384517 /nfs/dbraw/zinc/38/45/17/286384517.db2.gz HQVGSEHWRQUIER-JKSUJKDBSA-N 2 1 294.483 3.188 20 70 CGIDMP C[C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C[NH+]1CCCC1 ZINC000160935056 524741032 /nfs/dbraw/zinc/74/10/32/524741032.db2.gz PKHYUGFEQOCRFF-LBPRGKRZSA-N 2 1 284.806 3.301 20 70 CGIDMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](C)CC1 ZINC000159905393 372193085 /nfs/dbraw/zinc/19/30/85/372193085.db2.gz VIMIRTVIUYSMDV-ACCUITESSA-N 2 1 278.827 3.427 20 70 CGIDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cncc(F)c1 ZINC000160496226 372251538 /nfs/dbraw/zinc/25/15/38/372251538.db2.gz NFZFCNPGUULXDG-CYBMUJFWSA-N 2 1 291.414 3.278 20 70 CGIDMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811601 372277815 /nfs/dbraw/zinc/27/78/15/372277815.db2.gz HWCOVEHGGDJEHN-RDJZCZTQSA-N 2 1 298.430 3.291 20 70 CGIDMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811601 372277821 /nfs/dbraw/zinc/27/78/21/372277821.db2.gz HWCOVEHGGDJEHN-RDJZCZTQSA-N 2 1 298.430 3.291 20 70 CGIDMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000161461494 372328032 /nfs/dbraw/zinc/32/80/32/372328032.db2.gz ZXBFZSYTKRWLQW-DLBZAZTESA-N 2 1 258.409 3.007 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634213 270085314 /nfs/dbraw/zinc/08/53/14/270085314.db2.gz OEOFXZWPOKCVHF-KYNGSXCRSA-N 2 1 284.447 3.453 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634213 270085315 /nfs/dbraw/zinc/08/53/15/270085315.db2.gz OEOFXZWPOKCVHF-KYNGSXCRSA-N 2 1 284.447 3.453 20 70 CGIDMP CC(C)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161151824 527759855 /nfs/dbraw/zinc/75/98/55/527759855.db2.gz NGDHCWVXGLAFLH-MRXNPFEDSA-N 2 1 252.446 3.373 20 70 CGIDMP Cc1cccc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000160386442 372243120 /nfs/dbraw/zinc/24/31/20/372243120.db2.gz ANFHVSZXCXJUIT-ALOPSCKCSA-N 2 1 272.436 3.408 20 70 CGIDMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217678582 270085256 /nfs/dbraw/zinc/08/52/56/270085256.db2.gz HXKKLKHUIQDGGZ-NJAFHUGGSA-N 2 1 272.436 3.224 20 70 CGIDMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217678582 270085257 /nfs/dbraw/zinc/08/52/57/270085257.db2.gz HXKKLKHUIQDGGZ-NJAFHUGGSA-N 2 1 272.436 3.224 20 70 CGIDMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218126899 270085470 /nfs/dbraw/zinc/08/54/70/270085470.db2.gz ODXKAJDQIRXZHV-MSOLQXFVSA-N 2 1 272.436 3.328 20 70 CGIDMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218126899 270085471 /nfs/dbraw/zinc/08/54/71/270085471.db2.gz ODXKAJDQIRXZHV-MSOLQXFVSA-N 2 1 272.436 3.328 20 70 CGIDMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160387944 524261758 /nfs/dbraw/zinc/26/17/58/524261758.db2.gz HVVQQOCDGZYIGP-HZPDHXFCSA-N 2 1 258.409 3.020 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760323 372175880 /nfs/dbraw/zinc/17/58/80/372175880.db2.gz VKKCHOZODIVYBT-PBHICJAKSA-N 2 1 278.415 3.078 20 70 CGIDMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305126 372235279 /nfs/dbraw/zinc/23/52/79/372235279.db2.gz DBPAPNUZBTXZBM-QLFBSQMISA-N 2 1 294.414 3.055 20 70 CGIDMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304762 372235765 /nfs/dbraw/zinc/23/57/65/372235765.db2.gz DBPAPNUZBTXZBM-KFWWJZLASA-N 2 1 294.414 3.055 20 70 CGIDMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016250 525331431 /nfs/dbraw/zinc/33/14/31/525331431.db2.gz YQRBXJWLMRNFDO-MJBXVCDLSA-N 2 1 294.414 3.358 20 70 CGIDMP Cc1ncc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC000159608584 372161158 /nfs/dbraw/zinc/16/11/58/372161158.db2.gz FFGHFLCLEAAIQK-GFCCVEGCSA-N 2 1 290.455 3.053 20 70 CGIDMP C[C@@H](C1CC1)[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160578303 372259878 /nfs/dbraw/zinc/25/98/78/372259878.db2.gz CAADLFTYEXUTND-AWEZNQCLSA-N 2 1 250.430 3.125 20 70 CGIDMP C[C@@H](C1CC1)[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160578303 372259882 /nfs/dbraw/zinc/25/98/82/372259882.db2.gz CAADLFTYEXUTND-AWEZNQCLSA-N 2 1 250.430 3.125 20 70 CGIDMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217693400 270085283 /nfs/dbraw/zinc/08/52/83/270085283.db2.gz OCXXZHFVXSMTEP-HWMSQKFYSA-N 2 1 284.447 3.457 20 70 CGIDMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217693400 270085284 /nfs/dbraw/zinc/08/52/84/270085284.db2.gz OCXXZHFVXSMTEP-HWMSQKFYSA-N 2 1 284.447 3.457 20 70 CGIDMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCCC2 ZINC000160675793 279933688 /nfs/dbraw/zinc/93/36/88/279933688.db2.gz HQVGSEHWRQUIER-HOTGVXAUSA-N 2 1 294.483 3.188 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccoc1C ZINC000161475280 527391647 /nfs/dbraw/zinc/39/16/47/527391647.db2.gz RSQPYXDHCKPVJZ-UHFFFAOYSA-N 2 1 261.369 3.005 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccoc1C ZINC000161475280 527391642 /nfs/dbraw/zinc/39/16/42/527391642.db2.gz RSQPYXDHCKPVJZ-UHFFFAOYSA-N 2 1 261.369 3.005 20 70 CGIDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000160789342 346172135 /nfs/dbraw/zinc/17/21/35/346172135.db2.gz HMPWKSGEPQQEEE-LBPRGKRZSA-N 2 1 284.806 3.299 20 70 CGIDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000160789342 346172137 /nfs/dbraw/zinc/17/21/37/346172137.db2.gz HMPWKSGEPQQEEE-LBPRGKRZSA-N 2 1 284.806 3.299 20 70 CGIDMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000160061615 372208380 /nfs/dbraw/zinc/20/83/80/372208380.db2.gz IJSOHMBXLALANF-INIZCTEOSA-N 2 1 295.515 3.103 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160326352 372237834 /nfs/dbraw/zinc/23/78/34/372237834.db2.gz IRCIGAFNDRJOBH-DOTOQJQBSA-N 2 1 290.451 3.261 20 70 CGIDMP Cc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639833 376176711 /nfs/dbraw/zinc/17/67/11/376176711.db2.gz BIRAQLCPVXAGPZ-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(C)c1 ZINC000217639833 376176716 /nfs/dbraw/zinc/17/67/16/376176716.db2.gz BIRAQLCPVXAGPZ-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639833 376176722 /nfs/dbraw/zinc/17/67/22/376176722.db2.gz BIRAQLCPVXAGPZ-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639833 376176727 /nfs/dbraw/zinc/17/67/27/376176727.db2.gz BIRAQLCPVXAGPZ-SJORKVTESA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000161507572 301211612 /nfs/dbraw/zinc/21/16/12/301211612.db2.gz GMOJZGXBYXOOJS-QGZVFWFLSA-N 2 1 288.435 3.201 20 70 CGIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111641 529689655 /nfs/dbraw/zinc/68/96/55/529689655.db2.gz QYCIOMHYPJIESW-KBPBESRZSA-N 2 1 266.404 3.077 20 70 CGIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111641 529689657 /nfs/dbraw/zinc/68/96/57/529689657.db2.gz QYCIOMHYPJIESW-KBPBESRZSA-N 2 1 266.404 3.077 20 70 CGIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472218 372327062 /nfs/dbraw/zinc/32/70/62/372327062.db2.gz VRHLLPYAOAHVTL-MRXNPFEDSA-N 2 1 288.435 3.014 20 70 CGIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634365 270085191 /nfs/dbraw/zinc/08/51/91/270085191.db2.gz OEOFXZWPOKCVHF-JVPBZIDWSA-N 2 1 284.447 3.453 20 70 CGIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634365 270085192 /nfs/dbraw/zinc/08/51/92/270085192.db2.gz OEOFXZWPOKCVHF-JVPBZIDWSA-N 2 1 284.447 3.453 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127035 372303942 /nfs/dbraw/zinc/30/39/42/372303942.db2.gz BMKJRCPKYKPEMF-MJBXVCDLSA-N 2 1 250.386 3.111 20 70 CGIDMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161354159 533100579 /nfs/dbraw/zinc/10/05/79/533100579.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 70 CGIDMP COc1ccc([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161354159 533100585 /nfs/dbraw/zinc/10/05/85/533100585.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 70 CGIDMP COc1ccc([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161354159 533100587 /nfs/dbraw/zinc/10/05/87/533100587.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 70 CGIDMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000217510067 376174197 /nfs/dbraw/zinc/17/41/97/376174197.db2.gz QRRSULBZKRZEJD-CVEARBPZSA-N 2 1 260.425 3.344 20 70 CGIDMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217527229 376175147 /nfs/dbraw/zinc/17/51/47/376175147.db2.gz GLCPLRIIBRRZSK-RYUDHWBXSA-N 2 1 284.350 3.020 20 70 CGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000160700121 392583379 /nfs/dbraw/zinc/58/33/79/392583379.db2.gz RKQRDFQHVOYMEA-CABCVRRESA-N 2 1 296.480 3.026 20 70 CGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000160488504 188476785 /nfs/dbraw/zinc/47/67/85/188476785.db2.gz MNAWCJGPJZMSAO-OAHLLOKOSA-N 2 1 290.451 3.043 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783480 372180115 /nfs/dbraw/zinc/18/01/15/372180115.db2.gz IXOPFFQXFLJLRZ-GOSISDBHSA-N 2 1 283.419 3.461 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783480 372180120 /nfs/dbraw/zinc/18/01/20/372180120.db2.gz IXOPFFQXFLJLRZ-GOSISDBHSA-N 2 1 283.419 3.461 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252535 372229237 /nfs/dbraw/zinc/22/92/37/372229237.db2.gz KCXKDCUPXHLDGW-CJNGLKHVSA-N 2 1 296.842 3.039 20 70 CGIDMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160993678 372292184 /nfs/dbraw/zinc/29/21/84/372292184.db2.gz MOIBMSTVEDDBGQ-CQSZACIVSA-N 2 1 287.432 3.376 20 70 CGIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026867 372296626 /nfs/dbraw/zinc/29/66/26/372296626.db2.gz LOMOWIFEAYZLBE-HOTGVXAUSA-N 2 1 296.499 3.292 20 70 CGIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026867 372296632 /nfs/dbraw/zinc/29/66/32/372296632.db2.gz LOMOWIFEAYZLBE-HOTGVXAUSA-N 2 1 296.499 3.292 20 70 CGIDMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811465 372276792 /nfs/dbraw/zinc/27/67/92/372276792.db2.gz HWCOVEHGGDJEHN-WBVHZDCISA-N 2 1 298.430 3.291 20 70 CGIDMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811465 372276797 /nfs/dbraw/zinc/27/67/97/372276797.db2.gz HWCOVEHGGDJEHN-WBVHZDCISA-N 2 1 298.430 3.291 20 70 CGIDMP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161231797 372310867 /nfs/dbraw/zinc/31/08/67/372310867.db2.gz HVZPOFDBODEVKB-SJORKVTESA-N 2 1 290.451 3.145 20 70 CGIDMP c1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690544 376179752 /nfs/dbraw/zinc/17/97/52/376179752.db2.gz SXXYVJRSMPFUPQ-FOIPXRHGSA-N 2 1 270.420 3.149 20 70 CGIDMP c1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690544 376179761 /nfs/dbraw/zinc/17/97/61/376179761.db2.gz SXXYVJRSMPFUPQ-FOIPXRHGSA-N 2 1 270.420 3.149 20 70 CGIDMP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)s1 ZINC000160880365 533872284 /nfs/dbraw/zinc/87/22/84/533872284.db2.gz QIKZIDDETTZGDP-UHFFFAOYSA-N 2 1 266.454 3.364 20 70 CGIDMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)s1 ZINC000160880365 533872291 /nfs/dbraw/zinc/87/22/91/533872291.db2.gz QIKZIDDETTZGDP-UHFFFAOYSA-N 2 1 266.454 3.364 20 70 CGIDMP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141381 524027050 /nfs/dbraw/zinc/02/70/50/524027050.db2.gz VOKWHUBYCHUZIT-MCIONIFRSA-N 2 1 264.413 3.365 20 70 CGIDMP C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159765214 372178338 /nfs/dbraw/zinc/17/83/38/372178338.db2.gz QMQRBXKWSLPQLV-HNNXBMFYSA-N 2 1 289.810 3.057 20 70 CGIDMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159765214 372178343 /nfs/dbraw/zinc/17/83/43/372178343.db2.gz QMQRBXKWSLPQLV-HNNXBMFYSA-N 2 1 289.810 3.057 20 70 CGIDMP C[C@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@H+]1C ZINC000160475882 372250234 /nfs/dbraw/zinc/25/02/34/372250234.db2.gz OMWSFKPFOYIPRP-LSDHHAIUSA-N 2 1 290.476 3.384 20 70 CGIDMP CC(C)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161348215 372318143 /nfs/dbraw/zinc/31/81/43/372318143.db2.gz NOGBAABWYMGNAD-MRXNPFEDSA-N 2 1 252.446 3.230 20 70 CGIDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217657995 376176909 /nfs/dbraw/zinc/17/69/09/376176909.db2.gz MGUYTXXAPVGMMA-WBAXXEDZSA-N 2 1 288.435 3.363 20 70 CGIDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217657995 376176919 /nfs/dbraw/zinc/17/69/19/376176919.db2.gz MGUYTXXAPVGMMA-WBAXXEDZSA-N 2 1 288.435 3.363 20 70 CGIDMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCCC2 ZINC000160675913 286279062 /nfs/dbraw/zinc/27/90/62/286279062.db2.gz HQVGSEHWRQUIER-HZPDHXFCSA-N 2 1 294.483 3.188 20 70 CGIDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000161092030 282258463 /nfs/dbraw/zinc/25/84/63/282258463.db2.gz LEKPSWFVYIVIEN-HLLBOEOZSA-N 2 1 288.435 3.363 20 70 CGIDMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000160061507 372208313 /nfs/dbraw/zinc/20/83/13/372208313.db2.gz IJSOHMBXLALANF-MRXNPFEDSA-N 2 1 295.515 3.103 20 70 CGIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000160968042 372291374 /nfs/dbraw/zinc/29/13/74/372291374.db2.gz PNQCOINVQSHCMY-HFTRVMKXSA-N 2 1 272.436 3.036 20 70 CGIDMP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160823687 372279221 /nfs/dbraw/zinc/27/92/21/372279221.db2.gz KJCHJVVSQNHVKW-MAUKXSAKSA-N 2 1 290.451 3.295 20 70 CGIDMP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000159377615 392579561 /nfs/dbraw/zinc/57/95/61/392579561.db2.gz ZERAIUAXYKNGKX-KBUPBQIOSA-N 2 1 270.486 3.123 20 70 CGIDMP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000159377615 392579566 /nfs/dbraw/zinc/57/95/66/392579566.db2.gz ZERAIUAXYKNGKX-KBUPBQIOSA-N 2 1 270.486 3.123 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972390 524913243 /nfs/dbraw/zinc/91/32/43/524913243.db2.gz DGQHNIJNJANJDM-DEICHXMPSA-N 2 1 272.436 3.035 20 70 CGIDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466487 372145701 /nfs/dbraw/zinc/14/57/01/372145701.db2.gz RQPZYGVAYVMFEQ-SJLPKXTDSA-N 2 1 274.452 3.166 20 70 CGIDMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000217566941 376177666 /nfs/dbraw/zinc/17/76/66/376177666.db2.gz LGHUHRRNRCXRIY-KDOFPFPSSA-N 2 1 288.435 3.078 20 70 CGIDMP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141746 524047470 /nfs/dbraw/zinc/04/74/70/524047470.db2.gz VOKWHUBYCHUZIT-IHRRRGAJSA-N 2 1 264.413 3.365 20 70 CGIDMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159475455 372147354 /nfs/dbraw/zinc/14/73/54/372147354.db2.gz LJZGFVNQYYRWDB-LZLYRXPVSA-N 2 1 274.452 3.164 20 70 CGIDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(F)c1 ZINC000159627456 372162769 /nfs/dbraw/zinc/16/27/69/372162769.db2.gz WXNHQOLYQLRYFR-LLVKDONJSA-N 2 1 279.403 3.181 20 70 CGIDMP Cc1csc(CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000160667886 372265978 /nfs/dbraw/zinc/26/59/78/372265978.db2.gz TWJWHUUWELFZTQ-AEGPPILISA-N 2 1 295.496 3.093 20 70 CGIDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161126900 372303910 /nfs/dbraw/zinc/30/39/10/372303910.db2.gz BMKJRCPKYKPEMF-MCIONIFRSA-N 2 1 250.386 3.111 20 70 CGIDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564241 376177011 /nfs/dbraw/zinc/17/70/11/376177011.db2.gz LCVZKWSLHUBYLA-WMLDXEAASA-N 2 1 258.409 3.069 20 70 CGIDMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654492 376177055 /nfs/dbraw/zinc/17/70/55/376177055.db2.gz VJSSOMRHRWVQMD-CABCVRRESA-N 2 1 298.352 3.422 20 70 CGIDMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654492 376177061 /nfs/dbraw/zinc/17/70/61/376177061.db2.gz VJSSOMRHRWVQMD-CABCVRRESA-N 2 1 298.352 3.422 20 70 CGIDMP CS[C@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161445378 525902458 /nfs/dbraw/zinc/90/24/58/525902458.db2.gz LVHDGAZKXHHZLL-HNNXBMFYSA-N 2 1 270.486 3.080 20 70 CGIDMP CC[N@@H+](CCn1ccnc1)Cc1ccccc1Cl ZINC000159739936 372173793 /nfs/dbraw/zinc/17/37/93/372173793.db2.gz OMYAMCAINXIRCX-UHFFFAOYSA-N 2 1 263.772 3.059 20 70 CGIDMP CCN(CCn1ccnc1)Cc1ccccc1Cl ZINC000159739936 372173798 /nfs/dbraw/zinc/17/37/98/372173798.db2.gz OMYAMCAINXIRCX-UHFFFAOYSA-N 2 1 263.772 3.059 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783326 372179670 /nfs/dbraw/zinc/17/96/70/372179670.db2.gz IXOPFFQXFLJLRZ-SFHVURJKSA-N 2 1 283.419 3.461 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783326 372179677 /nfs/dbraw/zinc/17/96/77/372179677.db2.gz IXOPFFQXFLJLRZ-SFHVURJKSA-N 2 1 283.419 3.461 20 70 CGIDMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160696935 372269737 /nfs/dbraw/zinc/26/97/37/372269737.db2.gz FFMRFNJRHHYRRR-FGTMMUONSA-N 2 1 296.499 3.028 20 70 CGIDMP CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160815484 372277958 /nfs/dbraw/zinc/27/79/58/372277958.db2.gz WAXIVDROTWTWQK-WBVHZDCISA-N 2 1 290.451 3.438 20 70 CGIDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565680 376176677 /nfs/dbraw/zinc/17/66/77/376176677.db2.gz UXNPEZOWRDWFKQ-GUYCJALGSA-N 2 1 276.399 3.208 20 70 CGIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218117034 376185170 /nfs/dbraw/zinc/18/51/70/376185170.db2.gz QVMRBZNTWHHGBZ-MSOLQXFVSA-N 2 1 288.435 3.190 20 70 CGIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218117034 376185175 /nfs/dbraw/zinc/18/51/75/376185175.db2.gz QVMRBZNTWHHGBZ-MSOLQXFVSA-N 2 1 288.435 3.190 20 70 CGIDMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217678395 270085264 /nfs/dbraw/zinc/08/52/64/270085264.db2.gz HXKKLKHUIQDGGZ-NXHRZFHOSA-N 2 1 272.436 3.224 20 70 CGIDMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217678395 270085265 /nfs/dbraw/zinc/08/52/65/270085265.db2.gz HXKKLKHUIQDGGZ-NXHRZFHOSA-N 2 1 272.436 3.224 20 70 CGIDMP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000160131684 232243874 /nfs/dbraw/zinc/24/38/74/232243874.db2.gz TVXZAXGVTCQAOF-HZTRTUMWSA-N 2 1 258.409 3.271 20 70 CGIDMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055374 372298680 /nfs/dbraw/zinc/29/86/80/372298680.db2.gz ARSNRRJLBKMKHQ-KKUMJFAQSA-N 2 1 276.424 3.219 20 70 CGIDMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365418 392995749 /nfs/dbraw/zinc/99/57/49/392995749.db2.gz YRMMAWVBIRMILQ-WMLDXEAASA-N 2 1 283.419 3.116 20 70 CGIDMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000161377931 275391136 /nfs/dbraw/zinc/39/11/36/275391136.db2.gz LPUOVRWECJGQHX-HOTGVXAUSA-N 2 1 250.430 3.127 20 70 CGIDMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000161377931 275391137 /nfs/dbraw/zinc/39/11/37/275391137.db2.gz LPUOVRWECJGQHX-HOTGVXAUSA-N 2 1 250.430 3.127 20 70 CGIDMP CC(C)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161151716 528649764 /nfs/dbraw/zinc/64/97/64/528649764.db2.gz NGDHCWVXGLAFLH-INIZCTEOSA-N 2 1 252.446 3.373 20 70 CGIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1cccs1 ZINC000161305375 529887020 /nfs/dbraw/zinc/88/70/20/529887020.db2.gz LOAPZTUZFLJADP-UHFFFAOYSA-N 2 1 266.454 3.098 20 70 CGIDMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172564 372220482 /nfs/dbraw/zinc/22/04/82/372220482.db2.gz WVXVXZNAYDPYFB-PMPSAXMXSA-N 2 1 294.439 3.067 20 70 CGIDMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000160280116 372233981 /nfs/dbraw/zinc/23/39/81/372233981.db2.gz SBUXWDPIUFTGNO-CVEARBPZSA-N 2 1 292.471 3.379 20 70 CGIDMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000160280116 372233985 /nfs/dbraw/zinc/23/39/85/372233985.db2.gz SBUXWDPIUFTGNO-CVEARBPZSA-N 2 1 292.471 3.379 20 70 CGIDMP Fc1cc(Cl)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000160760753 372273829 /nfs/dbraw/zinc/27/38/29/372273829.db2.gz VNTFYAMOJWYLKX-UHFFFAOYSA-N 2 1 282.790 3.196 20 70 CGIDMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564313 376177245 /nfs/dbraw/zinc/17/72/45/376177245.db2.gz LCVZKWSLHUBYLA-RHSMWYFYSA-N 2 1 258.409 3.069 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217678985 292248312 /nfs/dbraw/zinc/24/83/12/292248312.db2.gz RKQHXNIECJWZDH-XIRDDKMYSA-N 2 1 258.409 3.272 20 70 CGIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217678985 292248313 /nfs/dbraw/zinc/24/83/13/292248313.db2.gz RKQHXNIECJWZDH-XIRDDKMYSA-N 2 1 258.409 3.272 20 70 CGIDMP Fc1cc(Cl)cc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000160817007 526299857 /nfs/dbraw/zinc/29/98/57/526299857.db2.gz VBPGSZLOGKIMFN-UHFFFAOYSA-N 2 1 284.806 3.445 20 70 CGIDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783187 372180235 /nfs/dbraw/zinc/18/02/35/372180235.db2.gz BSMVIEBNYCTMIF-QGZVFWFLSA-N 2 1 269.392 3.071 20 70 CGIDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783187 372180244 /nfs/dbraw/zinc/18/02/44/372180244.db2.gz BSMVIEBNYCTMIF-QGZVFWFLSA-N 2 1 269.392 3.071 20 70 CGIDMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000160280251 372234028 /nfs/dbraw/zinc/23/40/28/372234028.db2.gz SBUXWDPIUFTGNO-HOTGVXAUSA-N 2 1 292.471 3.379 20 70 CGIDMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000160280251 372234034 /nfs/dbraw/zinc/23/40/34/372234034.db2.gz SBUXWDPIUFTGNO-HOTGVXAUSA-N 2 1 292.471 3.379 20 70 CGIDMP CSc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217633262 376177828 /nfs/dbraw/zinc/17/78/28/376177828.db2.gz ZTYFXNHGVLVJPE-HOTGVXAUSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217633262 376177833 /nfs/dbraw/zinc/17/78/33/376177833.db2.gz ZTYFXNHGVLVJPE-HOTGVXAUSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217633262 376177838 /nfs/dbraw/zinc/17/78/38/376177838.db2.gz ZTYFXNHGVLVJPE-HOTGVXAUSA-N 2 1 276.449 3.125 20 70 CGIDMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217633262 376177843 /nfs/dbraw/zinc/17/78/43/376177843.db2.gz ZTYFXNHGVLVJPE-HOTGVXAUSA-N 2 1 276.449 3.125 20 70 CGIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217630859 376177931 /nfs/dbraw/zinc/17/79/31/376177931.db2.gz CCULJWMTQSQBTH-OIISXLGYSA-N 2 1 258.409 3.007 20 70 CGIDMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217630859 376177938 /nfs/dbraw/zinc/17/79/38/376177938.db2.gz CCULJWMTQSQBTH-OIISXLGYSA-N 2 1 258.409 3.007 20 70 CGIDMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1F ZINC000218228655 376186441 /nfs/dbraw/zinc/18/64/41/376186441.db2.gz RQVLQNNYVAMUGB-CYBMUJFWSA-N 2 1 282.403 3.215 20 70 CGIDMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1F ZINC000218228655 376186451 /nfs/dbraw/zinc/18/64/51/376186451.db2.gz RQVLQNNYVAMUGB-CYBMUJFWSA-N 2 1 282.403 3.215 20 70 CGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131460 525562293 /nfs/dbraw/zinc/56/22/93/525562293.db2.gz DBSLORBFQDQLEA-YUTCNCBUSA-N 2 1 282.378 3.488 20 70 CGIDMP CC[C@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161310899 529395663 /nfs/dbraw/zinc/39/56/63/529395663.db2.gz HMKNFICJMHZLQZ-MRXNPFEDSA-N 2 1 252.446 3.375 20 70 CGIDMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000160993815 372293148 /nfs/dbraw/zinc/29/31/48/372293148.db2.gz MOIBMSTVEDDBGQ-AWEZNQCLSA-N 2 1 287.432 3.376 20 70 CGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000160488414 372252254 /nfs/dbraw/zinc/25/22/54/372252254.db2.gz MNAWCJGPJZMSAO-HNNXBMFYSA-N 2 1 290.451 3.043 20 70 CGIDMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217632679 346290933 /nfs/dbraw/zinc/29/09/33/346290933.db2.gz ILXQLUVIZJKCJZ-ROUUACIJSA-N 2 1 288.435 3.192 20 70 CGIDMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217632679 346290938 /nfs/dbraw/zinc/29/09/38/346290938.db2.gz ILXQLUVIZJKCJZ-ROUUACIJSA-N 2 1 288.435 3.192 20 70 CGIDMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760459 372175510 /nfs/dbraw/zinc/17/55/10/372175510.db2.gz VKKCHOZODIVYBT-RHSMWYFYSA-N 2 1 278.415 3.078 20 70 CGIDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252663 372229052 /nfs/dbraw/zinc/22/90/52/372229052.db2.gz KCXKDCUPXHLDGW-CZUORRHYSA-N 2 1 296.842 3.039 20 70 CGIDMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000161260030 372312818 /nfs/dbraw/zinc/31/28/18/372312818.db2.gz FWMNODBKJAJKKF-UHFFFAOYSA-N 2 1 287.451 3.277 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972516 524912435 /nfs/dbraw/zinc/91/24/35/524912435.db2.gz DGQHNIJNJANJDM-OAOQPFQOSA-N 2 1 272.436 3.035 20 70 CGIDMP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000160969909 526300073 /nfs/dbraw/zinc/30/00/73/526300073.db2.gz QCXWSTHHNPPGKM-LSDHHAIUSA-N 2 1 282.790 3.196 20 70 CGIDMP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000160969909 526300077 /nfs/dbraw/zinc/30/00/77/526300077.db2.gz QCXWSTHHNPPGKM-LSDHHAIUSA-N 2 1 282.790 3.196 20 70 CGIDMP COc1ccc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000161353784 232249498 /nfs/dbraw/zinc/24/94/98/232249498.db2.gz YVWQWFGJUXVPGQ-AWEZNQCLSA-N 2 1 287.407 3.283 20 70 CGIDMP COc1ccc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000161353784 232249501 /nfs/dbraw/zinc/24/95/01/232249501.db2.gz YVWQWFGJUXVPGQ-AWEZNQCLSA-N 2 1 287.407 3.283 20 70 CGIDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000160276598 372233912 /nfs/dbraw/zinc/23/39/12/372233912.db2.gz AQQLPOAZGDOVLX-KBPBESRZSA-N 2 1 279.403 3.136 20 70 CGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000160276598 372233915 /nfs/dbraw/zinc/23/39/15/372233915.db2.gz AQQLPOAZGDOVLX-KBPBESRZSA-N 2 1 279.403 3.136 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160326252 372237338 /nfs/dbraw/zinc/23/73/38/372237338.db2.gz IRCIGAFNDRJOBH-NVXWUHKLSA-N 2 1 290.451 3.261 20 70 CGIDMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217675128 392994042 /nfs/dbraw/zinc/99/40/42/392994042.db2.gz SRZUNUYAHIYJPN-UAGQMJEPSA-N 2 1 258.409 3.272 20 70 CGIDMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217675128 392994047 /nfs/dbraw/zinc/99/40/47/392994047.db2.gz SRZUNUYAHIYJPN-UAGQMJEPSA-N 2 1 258.409 3.272 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000161502105 527393718 /nfs/dbraw/zinc/39/37/18/527393718.db2.gz NEJWZGIWLJCJCI-ZDUSSCGKSA-N 2 1 261.369 3.258 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000161502105 527393727 /nfs/dbraw/zinc/39/37/27/527393727.db2.gz NEJWZGIWLJCJCI-ZDUSSCGKSA-N 2 1 261.369 3.258 20 70 CGIDMP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160326556 372239650 /nfs/dbraw/zinc/23/96/50/372239650.db2.gz IRCIGAFNDRJOBH-RDJZCZTQSA-N 2 1 290.451 3.261 20 70 CGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999190 372294233 /nfs/dbraw/zinc/29/42/33/372294233.db2.gz KGSYORZOLLUYOG-IHRRRGAJSA-N 2 1 264.388 3.349 20 70 CGIDMP Fc1cc(Cl)ccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160767165 372272777 /nfs/dbraw/zinc/27/27/77/372272777.db2.gz PYWMDGZXFRPDPM-NSHDSACASA-N 2 1 282.790 3.053 20 70 CGIDMP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000160177069 372222313 /nfs/dbraw/zinc/22/23/13/372222313.db2.gz TVXZAXGVTCQAOF-LNRIEFBSSA-N 2 1 258.409 3.271 20 70 CGIDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cncc(F)c1 ZINC000160496098 372252403 /nfs/dbraw/zinc/25/24/03/372252403.db2.gz NFZFCNPGUULXDG-ZDUSSCGKSA-N 2 1 291.414 3.278 20 70 CGIDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000161091897 282190774 /nfs/dbraw/zinc/19/07/74/282190774.db2.gz LEKPSWFVYIVIEN-BFYDXBDKSA-N 2 1 288.435 3.363 20 70 CGIDMP C[C@@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@H+]1C ZINC000160476005 372250356 /nfs/dbraw/zinc/25/03/56/372250356.db2.gz OMWSFKPFOYIPRP-CABCVRRESA-N 2 1 290.476 3.384 20 70 CGIDMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355606 372317745 /nfs/dbraw/zinc/31/77/45/372317745.db2.gz HPEVQKMFMMOKSM-RHSMWYFYSA-N 2 1 290.426 3.177 20 70 CGIDMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472078 372327214 /nfs/dbraw/zinc/32/72/14/372327214.db2.gz VZARHDGMASFFBF-UHFFFAOYSA-N 2 1 299.418 3.125 20 70 CGIDMP CS[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161445229 392585058 /nfs/dbraw/zinc/58/50/58/392585058.db2.gz LVHDGAZKXHHZLL-OAHLLOKOSA-N 2 1 270.486 3.080 20 70 CGIDMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691604 270085303 /nfs/dbraw/zinc/08/53/03/270085303.db2.gz PNCSVKYGZHFYCK-GMNCBBECSA-N 2 1 284.447 3.457 20 70 CGIDMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691604 270085304 /nfs/dbraw/zinc/08/53/04/270085304.db2.gz PNCSVKYGZHFYCK-GMNCBBECSA-N 2 1 284.447 3.457 20 70 CGIDMP Cn1cccc1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161363994 279370747 /nfs/dbraw/zinc/37/07/47/279370747.db2.gz FTQXCSQYJXKBNC-GOSISDBHSA-N 2 1 289.467 3.428 20 70 CGIDMP Cn1cccc1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161363994 279370752 /nfs/dbraw/zinc/37/07/52/279370752.db2.gz FTQXCSQYJXKBNC-GOSISDBHSA-N 2 1 289.467 3.428 20 70 CGIDMP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000160969777 526300836 /nfs/dbraw/zinc/30/08/36/526300836.db2.gz QCXWSTHHNPPGKM-HUUCEWRRSA-N 2 1 282.790 3.196 20 70 CGIDMP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000160969777 526300841 /nfs/dbraw/zinc/30/08/41/526300841.db2.gz QCXWSTHHNPPGKM-HUUCEWRRSA-N 2 1 282.790 3.196 20 70 CGIDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000160789237 346172166 /nfs/dbraw/zinc/17/21/66/346172166.db2.gz HMPWKSGEPQQEEE-GFCCVEGCSA-N 2 1 284.806 3.299 20 70 CGIDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000160789237 346172167 /nfs/dbraw/zinc/17/21/67/346172167.db2.gz HMPWKSGEPQQEEE-GFCCVEGCSA-N 2 1 284.806 3.299 20 70 CGIDMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305001 372235233 /nfs/dbraw/zinc/23/52/33/372235233.db2.gz DBPAPNUZBTXZBM-ILXRZTDVSA-N 2 1 294.414 3.055 20 70 CGIDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000160611928 321854884 /nfs/dbraw/zinc/85/48/84/321854884.db2.gz MUFLLQPDGMKKEV-GOSISDBHSA-N 2 1 290.451 3.043 20 70 CGIDMP C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159765372 372178686 /nfs/dbraw/zinc/17/86/86/372178686.db2.gz QMQRBXKWSLPQLV-OAHLLOKOSA-N 2 1 289.810 3.057 20 70 CGIDMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159765372 372178691 /nfs/dbraw/zinc/17/86/91/372178691.db2.gz QMQRBXKWSLPQLV-OAHLLOKOSA-N 2 1 289.810 3.057 20 70 CGIDMP C[N@@H+](Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161110927 372302095 /nfs/dbraw/zinc/30/20/95/372302095.db2.gz HIOKFEGBCBOFJO-YIONKMFJSA-N 2 1 270.376 3.148 20 70 CGIDMP c1cc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)ccn1 ZINC000161459809 372327728 /nfs/dbraw/zinc/32/77/28/372327728.db2.gz HLONFDQAUHMAMV-KRWDZBQOSA-N 2 1 273.424 3.095 20 70 CGIDMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)ccn1 ZINC000161459809 372327732 /nfs/dbraw/zinc/32/77/32/372327732.db2.gz HLONFDQAUHMAMV-KRWDZBQOSA-N 2 1 273.424 3.095 20 70 CGIDMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071662 376182617 /nfs/dbraw/zinc/18/26/17/376182617.db2.gz HWKGKIDXXLGJQM-BBRMVZONSA-N 2 1 264.388 3.208 20 70 CGIDMP Cc1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000218044665 376183183 /nfs/dbraw/zinc/18/31/83/376183183.db2.gz IOAPMOAVHXIKIV-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000218044665 376183194 /nfs/dbraw/zinc/18/31/94/376183194.db2.gz IOAPMOAVHXIKIV-IRXDYDNUSA-N 2 1 258.409 3.020 20 70 CGIDMP c1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161299949 275068057 /nfs/dbraw/zinc/06/80/57/275068057.db2.gz SMXZMWIAQGVZNB-GOSISDBHSA-N 2 1 272.436 3.352 20 70 CGIDMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160572508 321853628 /nfs/dbraw/zinc/85/36/28/321853628.db2.gz XROTXJYZPHPOHX-HZPDHXFCSA-N 2 1 290.451 3.043 20 70 CGIDMP CCCO[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161026237 520272412 /nfs/dbraw/zinc/27/24/12/520272412.db2.gz GGUDAFMBVBCIMV-QGZVFWFLSA-N 2 1 282.472 3.144 20 70 CGIDMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000159767648 372178037 /nfs/dbraw/zinc/17/80/37/372178037.db2.gz YNINTOZDQVTZKB-LVQVYYBASA-N 2 1 282.472 3.043 20 70 CGIDMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000159767648 372178040 /nfs/dbraw/zinc/17/80/40/372178040.db2.gz YNINTOZDQVTZKB-LVQVYYBASA-N 2 1 282.472 3.043 20 70 CGIDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127155 372304424 /nfs/dbraw/zinc/30/44/24/372304424.db2.gz BMKJRCPKYKPEMF-RDBSUJKOSA-N 2 1 250.386 3.111 20 70 CGIDMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000161455951 372325755 /nfs/dbraw/zinc/32/57/55/372325755.db2.gz BQYFXAGRPURUCV-NSHDSACASA-N 2 1 282.428 3.292 20 70 CGIDMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071584 376183279 /nfs/dbraw/zinc/18/32/79/376183279.db2.gz HWKGKIDXXLGJQM-XJKSGUPXSA-N 2 1 264.388 3.208 20 70 CGIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000160479059 321852381 /nfs/dbraw/zinc/85/23/81/321852381.db2.gz HHPBMCNIIOCXNG-GOSISDBHSA-N 2 1 290.451 3.043 20 70 CGIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000160621527 525521459 /nfs/dbraw/zinc/52/14/59/525521459.db2.gz UBYRFPPLHXPYBO-OAHLLOKOSA-N 2 1 290.451 3.043 20 70 CGIDMP CC(C)C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160755699 528590202 /nfs/dbraw/zinc/59/02/02/528590202.db2.gz JPBOISHRPIXFKU-MRXNPFEDSA-N 2 1 252.446 3.373 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767922 372177368 /nfs/dbraw/zinc/17/73/68/372177368.db2.gz PBYQQYMIKQOYOK-JKIFEVAISA-N 2 1 278.415 3.077 20 70 CGIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000160761381 372273455 /nfs/dbraw/zinc/27/34/55/372273455.db2.gz WADDDWDJTYIHBJ-QZTJIDSGSA-N 2 1 296.499 3.172 20 70 CGIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000160700204 280186589 /nfs/dbraw/zinc/18/65/89/280186589.db2.gz RKQRDFQHVOYMEA-HUUCEWRRSA-N 2 1 296.480 3.026 20 70 CGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767666 372177663 /nfs/dbraw/zinc/17/76/63/372177663.db2.gz PBYQQYMIKQOYOK-KEYYUXOJSA-N 2 1 278.415 3.077 20 70 CGIDMP c1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000159817770 372183208 /nfs/dbraw/zinc/18/32/08/372183208.db2.gz VFKIBPZBDJPGGF-ZDUSSCGKSA-N 2 1 270.376 3.007 20 70 CGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999317 372295254 /nfs/dbraw/zinc/29/52/54/372295254.db2.gz KGSYORZOLLUYOG-RDBSUJKOSA-N 2 1 264.388 3.349 20 70 CGIDMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513571 296226227 /nfs/dbraw/zinc/22/62/27/296226227.db2.gz IBGDPNFHYIAESK-RYUDHWBXSA-N 2 1 286.341 3.437 20 70 CGIDMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000161507696 301209335 /nfs/dbraw/zinc/20/93/35/301209335.db2.gz GMOJZGXBYXOOJS-KRWDZBQOSA-N 2 1 288.435 3.201 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1ccccc1 ZINC000161422376 527392073 /nfs/dbraw/zinc/39/20/73/527392073.db2.gz LWMYJIUCSDIIIZ-UHFFFAOYSA-N 2 1 271.408 3.146 20 70 CGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1ccccc1 ZINC000161422376 527392079 /nfs/dbraw/zinc/39/20/79/527392079.db2.gz LWMYJIUCSDIIIZ-UHFFFAOYSA-N 2 1 271.408 3.146 20 70 CGIDMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000159403145 372139046 /nfs/dbraw/zinc/13/90/46/372139046.db2.gz NNUCWVZOGIVNEK-RFBLXINOSA-N 2 1 284.513 3.369 20 70 CGIDMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000217571482 376176117 /nfs/dbraw/zinc/17/61/17/376176117.db2.gz DSHKQURYYKKANV-KDOFPFPSSA-N 2 1 288.435 3.004 20 70 CGIDMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000218073170 376183157 /nfs/dbraw/zinc/18/31/57/376183157.db2.gz NQYAYYLFCAMSJN-STQMWFEESA-N 2 1 298.377 3.280 20 70 CGIDMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160572764 321854102 /nfs/dbraw/zinc/85/41/02/321854102.db2.gz XROTXJYZPHPOHX-CVEARBPZSA-N 2 1 290.451 3.043 20 70 CGIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000160621388 525440765 /nfs/dbraw/zinc/44/07/65/525440765.db2.gz UBYRFPPLHXPYBO-HNNXBMFYSA-N 2 1 290.451 3.043 20 70 CGIDMP