smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161002899 372294194 /nfs/dbraw/zinc/29/41/94/372294194.db2.gz VXGODTAGULUNAT-ZMSDIMECSA-N 1 3 276.399 3.275 20 70 CGIDHO CC(C)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160824029 372279187 /nfs/dbraw/zinc/27/91/87/372279187.db2.gz KCCUEZRFTVXJLU-UHFFFAOYSA-N 1 3 284.806 3.442 20 70 CGIDHO Fc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000160892171 372285623 /nfs/dbraw/zinc/28/56/23/372285623.db2.gz FFVZMEULRWDXRV-LLVKDONJSA-N 1 3 282.790 3.053 20 70 CGIDHO CCCN1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160824172 528204902 /nfs/dbraw/zinc/20/49/02/528204902.db2.gz FQJRRDDLMJXJCA-UHFFFAOYSA-N 1 3 284.806 3.443 20 70 CGIDHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034647 372297027 /nfs/dbraw/zinc/29/70/27/372297027.db2.gz BOXOVJHDLKZTBA-YQQAZPJKSA-N 1 3 258.409 3.136 20 70 CGIDHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000160506006 372253758 /nfs/dbraw/zinc/25/37/58/372253758.db2.gz IGTDIQQITRRAMC-MRXNPFEDSA-N 1 3 250.430 3.172 20 70 CGIDHO C[N@@H+]1CCC[C@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565772 376176072 /nfs/dbraw/zinc/17/60/72/376176072.db2.gz UXNPEZOWRDWFKQ-DYVFJYSZSA-N 1 3 276.399 3.208 20 70 CGIDHO C[N@H+]1CCC[C@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565772 376176077 /nfs/dbraw/zinc/17/60/77/376176077.db2.gz UXNPEZOWRDWFKQ-DYVFJYSZSA-N 1 3 276.399 3.208 20 70 CGIDHO COc1ccccc1CC[N@H+](C)CCCN1CCCCC1 ZINC000161339250 524409644 /nfs/dbraw/zinc/40/96/44/524409644.db2.gz RMEXGVDRQNPMDG-UHFFFAOYSA-N 1 3 290.451 3.046 20 70 CGIDHO COc1ccccc1CC[N@@H+](C)CCCN1CCCCC1 ZINC000161339250 524409653 /nfs/dbraw/zinc/40/96/53/524409653.db2.gz RMEXGVDRQNPMDG-UHFFFAOYSA-N 1 3 290.451 3.046 20 70 CGIDHO c1ccc(C[C@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232602 232248981 /nfs/dbraw/zinc/24/89/81/232248981.db2.gz GRXPFSWFQUVXSM-LJQANCHMSA-N 1 3 286.463 3.427 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160326470 372237983 /nfs/dbraw/zinc/23/79/83/372237983.db2.gz IRCIGAFNDRJOBH-WBVHZDCISA-N 1 3 290.451 3.261 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160326470 372237991 /nfs/dbraw/zinc/23/79/91/372237991.db2.gz IRCIGAFNDRJOBH-WBVHZDCISA-N 1 3 290.451 3.261 20 70 CGIDHO CC[N@@H+]1CC[C@@H](NCCSc2ccccc2)[C@H](C)C1 ZINC000160514361 372253930 /nfs/dbraw/zinc/25/39/30/372253930.db2.gz POOMDRSTNZMWJF-GDBMZVCRSA-N 1 3 278.465 3.099 20 70 CGIDHO CC[N@H+]1CC[C@@H](NCCSc2ccccc2)[C@H](C)C1 ZINC000160514361 372253936 /nfs/dbraw/zinc/25/39/36/372253936.db2.gz POOMDRSTNZMWJF-GDBMZVCRSA-N 1 3 278.465 3.099 20 70 CGIDHO CCCCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000160209173 528587096 /nfs/dbraw/zinc/58/70/96/528587096.db2.gz FEEXQZPSZLBEFM-YESZJQIVSA-N 1 3 282.472 3.094 20 70 CGIDHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000160506925 372253188 /nfs/dbraw/zinc/25/31/88/372253188.db2.gz BNBDUJJZRZXFCM-QGZVFWFLSA-N 1 3 264.457 3.418 20 70 CGIDHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC000161040924 274137362 /nfs/dbraw/zinc/13/73/62/274137362.db2.gz LVJSSZIPJCKBBH-IIDMSEBBSA-N 1 3 288.435 3.145 20 70 CGIDHO CC[C@H](c1ccncc1)[N@H+](C)CCCN1CCCCC1 ZINC000161461177 372327130 /nfs/dbraw/zinc/32/71/30/372327130.db2.gz FHADZRMHAIFIRH-QGZVFWFLSA-N 1 3 275.440 3.341 20 70 CGIDHO CC[C@H](c1ccncc1)[N@@H+](C)CCCN1CCCCC1 ZINC000161461177 372327137 /nfs/dbraw/zinc/32/71/37/372327137.db2.gz FHADZRMHAIFIRH-QGZVFWFLSA-N 1 3 275.440 3.341 20 70 CGIDHO CCCCOCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160259395 528587049 /nfs/dbraw/zinc/58/70/49/528587049.db2.gz LTWAHOUDPWRRMX-JKSUJKDBSA-N 1 3 270.461 3.094 20 70 CGIDHO c1ccc(C[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232474 232248999 /nfs/dbraw/zinc/24/89/99/232248999.db2.gz GRXPFSWFQUVXSM-IBGZPJMESA-N 1 3 286.463 3.427 20 70 CGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000161111561 372302596 /nfs/dbraw/zinc/30/25/96/372302596.db2.gz LWCZMMHXEYBBES-RCBQFDQVSA-N 1 3 264.388 3.349 20 70 CGIDHO C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](N)C1 ZINC000217491959 376175285 /nfs/dbraw/zinc/17/52/85/376175285.db2.gz PNTPXZZIXQNRDM-UKRRQHHQSA-N 1 3 254.377 3.324 20 70 CGIDHO C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](N)C1 ZINC000217491959 376175292 /nfs/dbraw/zinc/17/52/92/376175292.db2.gz PNTPXZZIXQNRDM-UKRRQHHQSA-N 1 3 254.377 3.324 20 70 CGIDHO CC[NH+]1CCC(CNCc2cc(F)cc(Cl)c2)CC1 ZINC000160919939 321860187 /nfs/dbraw/zinc/86/01/87/321860187.db2.gz KQEZHXGSYFHVGK-UHFFFAOYSA-N 1 3 284.806 3.301 20 70 CGIDHO CC[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@H](C)C1 ZINC000160514220 372253887 /nfs/dbraw/zinc/25/38/87/372253887.db2.gz POOMDRSTNZMWJF-ZBFHGGJFSA-N 1 3 278.465 3.099 20 70 CGIDHO CC[N@H+]1CC[C@H](NCCSc2ccccc2)[C@H](C)C1 ZINC000160514220 372253896 /nfs/dbraw/zinc/25/38/96/372253896.db2.gz POOMDRSTNZMWJF-ZBFHGGJFSA-N 1 3 278.465 3.099 20 70 CGIDHO COc1cc([C@H](C)NC2CC[NH+](C)CC2)ccc1SC ZINC000161501799 372329409 /nfs/dbraw/zinc/32/94/09/372329409.db2.gz SBLIWZCXFWNJGJ-LBPRGKRZSA-N 1 3 294.464 3.162 20 70 CGIDHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000217571398 376176197 /nfs/dbraw/zinc/17/61/97/376176197.db2.gz DSHKQURYYKKANV-KSSFIOAISA-N 1 3 288.435 3.004 20 70 CGIDHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000217571398 376176202 /nfs/dbraw/zinc/17/62/02/376176202.db2.gz DSHKQURYYKKANV-KSSFIOAISA-N 1 3 288.435 3.004 20 70 CGIDHO CC(C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161262621 527652028 /nfs/dbraw/zinc/65/20/28/527652028.db2.gz BKNMENVIGWJPPF-UHFFFAOYSA-N 1 3 252.446 3.230 20 70 CGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003109 282190597 /nfs/dbraw/zinc/19/05/97/282190597.db2.gz VXGODTAGULUNAT-BFYDXBDKSA-N 1 3 276.399 3.275 20 70 CGIDHO c1ccc(CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000159898162 542151790 /nfs/dbraw/zinc/15/17/90/542151790.db2.gz MBDZQJDRLZVXAV-QZTJIDSGSA-N 1 3 272.436 3.226 20 70 CGIDHO c1ccc(CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000159898162 542151792 /nfs/dbraw/zinc/15/17/92/542151792.db2.gz MBDZQJDRLZVXAV-QZTJIDSGSA-N 1 3 272.436 3.226 20 70 CGIDHO c1ccc(CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000159898162 542151795 /nfs/dbraw/zinc/15/17/95/542151795.db2.gz MBDZQJDRLZVXAV-QZTJIDSGSA-N 1 3 272.436 3.226 20 70 CGIDHO Cc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217693485 270085148 /nfs/dbraw/zinc/08/51/48/270085148.db2.gz OCXXZHFVXSMTEP-VHZYLWGESA-N 1 3 284.447 3.457 20 70 CGIDHO Cc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217693485 270085149 /nfs/dbraw/zinc/08/51/49/270085149.db2.gz OCXXZHFVXSMTEP-VHZYLWGESA-N 1 3 284.447 3.457 20 70 CGIDHO c1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690448 376179529 /nfs/dbraw/zinc/17/95/29/376179529.db2.gz SXXYVJRSMPFUPQ-HIEASXQVSA-N 1 3 270.420 3.149 20 70 CGIDHO c1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690448 376179533 /nfs/dbraw/zinc/17/95/33/376179533.db2.gz SXXYVJRSMPFUPQ-HIEASXQVSA-N 1 3 270.420 3.149 20 70 CGIDHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CC2 ZINC000161097922 372300095 /nfs/dbraw/zinc/30/00/95/372300095.db2.gz JLOQWENBUOBATN-SOLBZPMBSA-N 1 3 272.436 3.445 20 70 CGIDHO Cc1ccc(SCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160793832 372275195 /nfs/dbraw/zinc/27/51/95/372275195.db2.gz LOBPMGLTZJHDQF-GOEBONIOSA-N 1 3 278.465 3.017 20 70 CGIDHO Cc1ccc(SCCN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160793832 372275201 /nfs/dbraw/zinc/27/52/01/372275201.db2.gz LOBPMGLTZJHDQF-GOEBONIOSA-N 1 3 278.465 3.017 20 70 CGIDHO CC[C@@H](c1ccncc1)[N@H+](C)CCCN1CCCCC1 ZINC000161461041 280220609 /nfs/dbraw/zinc/22/06/09/280220609.db2.gz FHADZRMHAIFIRH-KRWDZBQOSA-N 1 3 275.440 3.341 20 70 CGIDHO CC[C@@H](c1ccncc1)[N@@H+](C)CCCN1CCCCC1 ZINC000161461041 280220610 /nfs/dbraw/zinc/22/06/10/280220610.db2.gz FHADZRMHAIFIRH-KRWDZBQOSA-N 1 3 275.440 3.341 20 70 CGIDHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161112319 525330994 /nfs/dbraw/zinc/33/09/94/525330994.db2.gz RSAOBSSNCRNSLX-IMJJTQAJSA-N 1 3 276.424 3.219 20 70 CGIDHO C[NH+]1CCC(CCNCc2ccc(Cl)cc2F)CC1 ZINC000160897611 530049048 /nfs/dbraw/zinc/04/90/48/530049048.db2.gz ACBGWIJKUSNPNJ-UHFFFAOYSA-N 1 3 284.806 3.301 20 70 CGIDHO CC1CCN(CCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218079146 376184920 /nfs/dbraw/zinc/18/49/20/376184920.db2.gz DRDZQHWBCPXKOA-UHFFFAOYSA-N 1 3 285.435 3.380 20 70 CGIDHO Cc1ccc2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365506 376187067 /nfs/dbraw/zinc/18/70/67/376187067.db2.gz YRMMAWVBIRMILQ-YOEHRIQHSA-N 1 3 283.419 3.116 20 70 CGIDHO Cc1ccc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365506 376187075 /nfs/dbraw/zinc/18/70/75/376187075.db2.gz YRMMAWVBIRMILQ-YOEHRIQHSA-N 1 3 283.419 3.116 20 70 CGIDHO CC1(C)C[C@H](NC2CC[NH+](C3CCCC3)CC2)C(C)(C)O1 ZINC000160501483 278388137 /nfs/dbraw/zinc/38/81/37/278388137.db2.gz UXXJIMATUKJVHR-INIZCTEOSA-N 1 3 294.483 3.329 20 70 CGIDHO CC(C)CCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160593729 527745904 /nfs/dbraw/zinc/74/59/04/527745904.db2.gz TZSAGKJTCWHZQL-UHFFFAOYSA-N 1 3 296.499 3.390 20 70 CGIDHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003014 372293928 /nfs/dbraw/zinc/29/39/28/372293928.db2.gz VXGODTAGULUNAT-YQQAZPJKSA-N 1 3 276.399 3.275 20 70 CGIDHO CCCCOc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160823808 372278888 /nfs/dbraw/zinc/27/88/88/372278888.db2.gz KJCHJVVSQNHVKW-YJBOKZPZSA-N 1 3 290.451 3.295 20 70 CGIDHO CCCCOc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160823808 372278898 /nfs/dbraw/zinc/27/88/98/372278898.db2.gz KJCHJVVSQNHVKW-YJBOKZPZSA-N 1 3 290.451 3.295 20 70 CGIDHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000160767772 526208491 /nfs/dbraw/zinc/20/84/91/526208491.db2.gz OIGQGOXBOJHVKT-GOSISDBHSA-N 1 3 272.436 3.445 20 70 CGIDHO CC[C@@]1(C)CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161311006 529523826 /nfs/dbraw/zinc/52/38/26/529523826.db2.gz HMKNFICJMHZLQZ-INIZCTEOSA-N 1 3 252.446 3.375 20 70 CGIDHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161020509 372294333 /nfs/dbraw/zinc/29/43/33/372294333.db2.gz KQQJAFLEJJJWLR-MPGHIAIKSA-N 1 3 272.436 3.445 20 70 CGIDHO Cc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691685 270085235 /nfs/dbraw/zinc/08/52/35/270085235.db2.gz PNCSVKYGZHFYCK-BTRQGYIVSA-N 1 3 284.447 3.457 20 70 CGIDHO Cc1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691685 270085236 /nfs/dbraw/zinc/08/52/36/270085236.db2.gz PNCSVKYGZHFYCK-BTRQGYIVSA-N 1 3 284.447 3.457 20 70 CGIDHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217513501 376175027 /nfs/dbraw/zinc/17/50/27/376175027.db2.gz IBGDPNFHYIAESK-NEPJUHHUSA-N 1 3 286.341 3.437 20 70 CGIDHO Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000160767889 526191352 /nfs/dbraw/zinc/19/13/52/526191352.db2.gz OIGQGOXBOJHVKT-SFHVURJKSA-N 1 3 272.436 3.445 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160333503 372239728 /nfs/dbraw/zinc/23/97/28/372239728.db2.gz JKUSHDYRQACIEL-YJBOKZPZSA-N 1 3 290.451 3.119 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160333503 372239732 /nfs/dbraw/zinc/23/97/32/372239732.db2.gz JKUSHDYRQACIEL-YJBOKZPZSA-N 1 3 290.451 3.119 20 70 CGIDHO C(C[NH+]1CCC(N2CCCC2)CC1)C1CCCC1 ZINC000160592416 518385464 /nfs/dbraw/zinc/38/54/64/518385464.db2.gz KGLSXHAOSJMZPT-UHFFFAOYSA-N 1 3 250.430 3.127 20 70 CGIDHO CN(C)c1cccc(C[N@H+](C)CCCN2CCCCC2)c1 ZINC000161444663 522266571 /nfs/dbraw/zinc/26/65/71/522266571.db2.gz TUGFQKLISUDDCB-UHFFFAOYSA-N 1 3 289.467 3.060 20 70 CGIDHO CN(C)c1cccc(C[N@@H+](C)CCCN2CCCCC2)c1 ZINC000161444663 522266577 /nfs/dbraw/zinc/26/65/77/522266577.db2.gz TUGFQKLISUDDCB-UHFFFAOYSA-N 1 3 289.467 3.060 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000160333361 372239781 /nfs/dbraw/zinc/23/97/81/372239781.db2.gz JKUSHDYRQACIEL-QAPCUYQASA-N 1 3 290.451 3.119 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000160333361 372239787 /nfs/dbraw/zinc/23/97/87/372239787.db2.gz JKUSHDYRQACIEL-QAPCUYQASA-N 1 3 290.451 3.119 20 70 CGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034513 372296525 /nfs/dbraw/zinc/29/65/25/372296525.db2.gz BOXOVJHDLKZTBA-ZMSDIMECSA-N 1 3 258.409 3.136 20 70 CGIDHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC000161040675 372297433 /nfs/dbraw/zinc/29/74/33/372297433.db2.gz LVJSSZIPJCKBBH-HDMKZQKVSA-N 1 3 288.435 3.145 20 70 CGIDHO CCCO[C@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161026358 520285315 /nfs/dbraw/zinc/28/53/15/520285315.db2.gz GGUDAFMBVBCIMV-KRWDZBQOSA-N 1 3 282.472 3.144 20 70 CGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000161013288 372294880 /nfs/dbraw/zinc/29/48/80/372294880.db2.gz GKOULCFFAWKDSW-QRVBRYPASA-N 1 3 286.463 3.470 20 70 CGIDHO c1ccc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161300013 372315858 /nfs/dbraw/zinc/31/58/58/372315858.db2.gz SMXZMWIAQGVZNB-SFHVURJKSA-N 1 3 272.436 3.352 20 70 CGIDHO C[C@H](C[NH2+]Cc1cccc2cc[nH]c21)CN1CCCCC1 ZINC000218119608 138492405 /nfs/dbraw/zinc/49/24/05/138492405.db2.gz DOYKTYKAMLQDIE-OAHLLOKOSA-N 1 3 285.435 3.380 20 70 CGIDHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CC2 ZINC000161041051 372297332 /nfs/dbraw/zinc/29/73/32/372297332.db2.gz LVJSSZIPJCKBBH-RVKKMQEKSA-N 1 3 288.435 3.145 20 70 CGIDHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CC2 ZINC000161040800 372297386 /nfs/dbraw/zinc/29/73/86/372297386.db2.gz LVJSSZIPJCKBBH-RLFYNMQTSA-N 1 3 288.435 3.145 20 70 CGIDHO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160029595 346169318 /nfs/dbraw/zinc/16/93/18/346169318.db2.gz LLDBEDBLOOXQFK-HONMWMINSA-N 1 3 297.240 3.370 20 70 CGIDHO CCCCOCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160259494 528587615 /nfs/dbraw/zinc/58/76/15/528587615.db2.gz LTWAHOUDPWRRMX-HZPDHXFCSA-N 1 3 270.461 3.094 20 70 CGIDHO CCSCC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000160055608 136392968 /nfs/dbraw/zinc/39/29/68/136392968.db2.gz WMJIZSFPBGGFEO-CQSZACIVSA-N 1 3 293.480 3.172 20 70 CGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000161111476 372302458 /nfs/dbraw/zinc/30/24/58/372302458.db2.gz LWCZMMHXEYBBES-WQVCFCJDSA-N 1 3 264.388 3.349 20 70 CGIDHO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161112660 525164589 /nfs/dbraw/zinc/16/45/89/525164589.db2.gz RSAOBSSNCRNSLX-KBMXLJTQSA-N 1 3 276.424 3.219 20 70 CGIDHO CC[NH+]1CCC(CNCc2ccc(Cl)cc2F)CC1 ZINC000160801078 346172101 /nfs/dbraw/zinc/17/21/01/346172101.db2.gz PILDGWVESFHVKT-UHFFFAOYSA-N 1 3 284.806 3.301 20 70 CGIDHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161051113 372298102 /nfs/dbraw/zinc/29/81/02/372298102.db2.gz QCQVZHXRIFGHAM-NYCLONFESA-N 1 3 272.436 3.382 20 70 CGIDHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161051113 372298108 /nfs/dbraw/zinc/29/81/08/372298108.db2.gz QCQVZHXRIFGHAM-NYCLONFESA-N 1 3 272.436 3.382 20 70 CGIDHO C1CCC(N2CCC([NH2+][C@H]3CCCSC3)CC2)CC1 ZINC000159522270 372152276 /nfs/dbraw/zinc/15/22/76/372152276.db2.gz XDNBRNNXRKKQEM-HNNXBMFYSA-N 1 3 282.497 3.269 20 70 CGIDHO C1CCC([NH+]2CCC(N[C@H]3CCCSC3)CC2)CC1 ZINC000159522270 372152283 /nfs/dbraw/zinc/15/22/83/372152283.db2.gz XDNBRNNXRKKQEM-HNNXBMFYSA-N 1 3 282.497 3.269 20 70 CGIDHO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000160892040 372286004 /nfs/dbraw/zinc/28/60/04/372286004.db2.gz FFVZMEULRWDXRV-NSHDSACASA-N 1 3 282.790 3.053 20 70 CGIDHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304870 392581684 /nfs/dbraw/zinc/58/16/84/392581684.db2.gz DBPAPNUZBTXZBM-RBSFLKMASA-N 1 3 294.414 3.055 20 70 CGIDHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304870 392581688 /nfs/dbraw/zinc/58/16/88/392581688.db2.gz DBPAPNUZBTXZBM-RBSFLKMASA-N 1 3 294.414 3.055 20 70 CGIDHO C[C@H](CC1CCOCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159640177 321837969 /nfs/dbraw/zinc/83/79/69/321837969.db2.gz FKZCNYKPYUSJIJ-CYBMUJFWSA-N 1 3 282.472 3.090 20 70 CGIDHO CC[N@H+](CC[C@H]1CCCN1C)Cc1ccc(OC)cc1 ZINC000161423387 521160491 /nfs/dbraw/zinc/16/04/91/521160491.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 1 3 276.424 3.001 20 70 CGIDHO CC[N@@H+](CC[C@H]1CCCN1C)Cc1ccc(OC)cc1 ZINC000161423387 521160502 /nfs/dbraw/zinc/16/05/02/521160502.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 1 3 276.424 3.001 20 70 CGIDHO CCCCOCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160259254 528586810 /nfs/dbraw/zinc/58/68/10/528586810.db2.gz LTWAHOUDPWRRMX-CVEARBPZSA-N 1 3 270.461 3.094 20 70 CGIDHO Fc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691792 376180166 /nfs/dbraw/zinc/18/01/66/376180166.db2.gz DAIWEKBTOAOYMR-SYNTWQANSA-N 1 3 288.410 3.288 20 70 CGIDHO Fc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691792 376180174 /nfs/dbraw/zinc/18/01/74/376180174.db2.gz DAIWEKBTOAOYMR-SYNTWQANSA-N 1 3 288.410 3.288 20 70 CGIDHO c1oc2ccccc2c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000159817897 372182785 /nfs/dbraw/zinc/18/27/85/372182785.db2.gz VFKIBPZBDJPGGF-CYBMUJFWSA-N 1 3 270.376 3.007 20 70 CGIDHO Fc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691870 376179344 /nfs/dbraw/zinc/17/93/44/376179344.db2.gz DAIWEKBTOAOYMR-KXIUCKCTSA-N 1 3 288.410 3.288 20 70 CGIDHO Fc1cccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000217691870 376179350 /nfs/dbraw/zinc/17/93/50/376179350.db2.gz DAIWEKBTOAOYMR-KXIUCKCTSA-N 1 3 288.410 3.288 20 70 CGIDHO C(CN1CCCCC1)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000160769604 518386457 /nfs/dbraw/zinc/38/64/57/518386457.db2.gz UVZSDTUFTFVXSB-UHFFFAOYSA-N 1 3 294.483 3.286 20 70 CGIDHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161020258 372294842 /nfs/dbraw/zinc/29/48/42/372294842.db2.gz KQQJAFLEJJJWLR-VKJFTORMSA-N 1 3 272.436 3.445 20 70 CGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccs1 ZINC000161033480 372296358 /nfs/dbraw/zinc/29/63/58/372296358.db2.gz VMQUIDDPJVRNQL-XQQFMLRXSA-N 1 3 252.427 3.272 20 70 CGIDHO CCSCC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000160055750 535691593 /nfs/dbraw/zinc/69/15/93/535691593.db2.gz WMJIZSFPBGGFEO-AWEZNQCLSA-N 1 3 293.480 3.172 20 70 CGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080524 572882485 /nfs/dbraw/zinc/88/24/85/572882485.db2.gz UYVVPMKYYKJZCN-BFYDXBDKSA-N 1 3 276.399 3.275 20 70 CGIDHO CN1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472379 372328014 /nfs/dbraw/zinc/32/80/14/372328014.db2.gz VRHLLPYAOAHVTL-INIZCTEOSA-N 1 3 288.435 3.014 20 70 CGIDHO CCCC[C@@H](COC)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159621342 372163372 /nfs/dbraw/zinc/16/33/72/372163372.db2.gz PTQYADCDIDAZPE-ZDUSSCGKSA-N 1 3 270.461 3.090 20 70 CGIDHO CCCC[C@@H](COC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159621342 372163377 /nfs/dbraw/zinc/16/33/77/372163377.db2.gz PTQYADCDIDAZPE-ZDUSSCGKSA-N 1 3 270.461 3.090 20 70 CGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000161111967 372302267 /nfs/dbraw/zinc/30/22/67/372302267.db2.gz QXLNAJPHKDMFMR-WQVCFCJDSA-N 1 3 264.388 3.349 20 70 CGIDHO COc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000217566849 376177776 /nfs/dbraw/zinc/17/77/76/376177776.db2.gz LGHUHRRNRCXRIY-KSSFIOAISA-N 1 3 288.435 3.078 20 70 CGIDHO COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000217566849 376177783 /nfs/dbraw/zinc/17/77/83/376177783.db2.gz LGHUHRRNRCXRIY-KSSFIOAISA-N 1 3 288.435 3.078 20 70 CGIDHO Fc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217692249 376179050 /nfs/dbraw/zinc/17/90/50/376179050.db2.gz YOQSSEMILQAWDN-GNNGFNCTSA-N 1 3 288.410 3.288 20 70 CGIDHO Fc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217692249 376179054 /nfs/dbraw/zinc/17/90/54/376179054.db2.gz YOQSSEMILQAWDN-GNNGFNCTSA-N 1 3 288.410 3.288 20 70 CGIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000161377793 392584715 /nfs/dbraw/zinc/58/47/15/392584715.db2.gz LPUOVRWECJGQHX-CVEARBPZSA-N 1 3 250.430 3.127 20 70 CGIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000161377793 392584718 /nfs/dbraw/zinc/58/47/18/392584718.db2.gz LPUOVRWECJGQHX-CVEARBPZSA-N 1 3 250.430 3.127 20 70 CGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccs1 ZINC000161033738 372296684 /nfs/dbraw/zinc/29/66/84/372296684.db2.gz VMQUIDDPJVRNQL-AVGNSLFASA-N 1 3 252.427 3.272 20 70 CGIDHO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](CN)C2)c(C)c1 ZINC000217510130 376174600 /nfs/dbraw/zinc/17/46/00/376174600.db2.gz QRRSULBZKRZEJD-HOTGVXAUSA-N 1 3 260.425 3.344 20 70 CGIDHO Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](CN)C2)c(C)c1 ZINC000217510130 376174605 /nfs/dbraw/zinc/17/46/05/376174605.db2.gz QRRSULBZKRZEJD-HOTGVXAUSA-N 1 3 260.425 3.344 20 70 CGIDHO Fc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217692164 392994701 /nfs/dbraw/zinc/99/47/01/392994701.db2.gz YOQSSEMILQAWDN-PCHAPFSGSA-N 1 3 288.410 3.288 20 70 CGIDHO Fc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217692164 392994708 /nfs/dbraw/zinc/99/47/08/392994708.db2.gz YOQSSEMILQAWDN-PCHAPFSGSA-N 1 3 288.410 3.288 20 70 CGIDHO CC(C)[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000160506781 321853176 /nfs/dbraw/zinc/85/31/76/321853176.db2.gz BNBDUJJZRZXFCM-KRWDZBQOSA-N 1 3 264.457 3.418 20 70 CGIDHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CC2 ZINC000161098132 372299968 /nfs/dbraw/zinc/29/99/68/372299968.db2.gz JLOQWENBUOBATN-XYJFISCASA-N 1 3 272.436 3.445 20 70 CGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000161111659 372302231 /nfs/dbraw/zinc/30/22/31/372302231.db2.gz LWCZMMHXEYBBES-KCXAZCMYSA-N 1 3 264.388 3.349 20 70 CGIDHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](N)C1 ZINC000217491878 376174576 /nfs/dbraw/zinc/17/45/76/376174576.db2.gz PNTPXZZIXQNRDM-DZGCQCFKSA-N 1 3 254.377 3.324 20 70 CGIDHO C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](N)C1 ZINC000217491878 376174580 /nfs/dbraw/zinc/17/45/80/376174580.db2.gz PNTPXZZIXQNRDM-DZGCQCFKSA-N 1 3 254.377 3.324 20 70 CGIDHO COc1cc([C@@H](C)NC2CC[NH+](C)CC2)ccc1SC ZINC000161501912 372329169 /nfs/dbraw/zinc/32/91/69/372329169.db2.gz SBLIWZCXFWNJGJ-GFCCVEGCSA-N 1 3 294.464 3.162 20 70 CGIDHO CC[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(OC)cc1 ZINC000161423267 521157620 /nfs/dbraw/zinc/15/76/20/521157620.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 1 3 276.424 3.001 20 70 CGIDHO CC[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(OC)cc1 ZINC000161423267 521157629 /nfs/dbraw/zinc/15/76/29/521157629.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 1 3 276.424 3.001 20 70 CGIDHO C/C(=C\c1ccc(Cl)cc1)CNC1CC[NH+](C)CC1 ZINC000159905393 372193092 /nfs/dbraw/zinc/19/30/92/372193092.db2.gz VIMIRTVIUYSMDV-ACCUITESSA-N 1 3 278.827 3.427 20 70 CGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034885 372296978 /nfs/dbraw/zinc/29/69/78/372296978.db2.gz BOXOVJHDLKZTBA-HLLBOEOZSA-N 1 3 258.409 3.136 20 70 CGIDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000160063554 372209146 /nfs/dbraw/zinc/20/91/46/372209146.db2.gz QRHOMXOSLJVRHY-DOMZBBRYSA-N 1 3 298.883 3.362 20 70 CGIDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000160063554 372209152 /nfs/dbraw/zinc/20/91/52/372209152.db2.gz QRHOMXOSLJVRHY-DOMZBBRYSA-N 1 3 298.883 3.362 20 70 CGIDHO Cc1cccc(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000160386442 372243124 /nfs/dbraw/zinc/24/31/24/372243124.db2.gz ANFHVSZXCXJUIT-ALOPSCKCSA-N 1 3 272.436 3.408 20 70 CGIDHO Cc1cccc(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000160386442 372243125 /nfs/dbraw/zinc/24/31/25/372243125.db2.gz ANFHVSZXCXJUIT-ALOPSCKCSA-N 1 3 272.436 3.408 20 70 CGIDHO c1ccc(CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000159898302 542151846 /nfs/dbraw/zinc/15/18/46/542151846.db2.gz MBDZQJDRLZVXAV-ZWKOTPCHSA-N 1 3 272.436 3.226 20 70 CGIDHO c1ccc(CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000159898302 542151850 /nfs/dbraw/zinc/15/18/50/542151850.db2.gz MBDZQJDRLZVXAV-ZWKOTPCHSA-N 1 3 272.436 3.226 20 70 CGIDHO c1ccc(CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000159898302 542151854 /nfs/dbraw/zinc/15/18/54/542151854.db2.gz MBDZQJDRLZVXAV-ZWKOTPCHSA-N 1 3 272.436 3.226 20 70 CGIDHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305126 372235294 /nfs/dbraw/zinc/23/52/94/372235294.db2.gz DBPAPNUZBTXZBM-QLFBSQMISA-N 1 3 294.414 3.055 20 70 CGIDHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305126 372235304 /nfs/dbraw/zinc/23/53/04/372235304.db2.gz DBPAPNUZBTXZBM-QLFBSQMISA-N 1 3 294.414 3.055 20 70 CGIDHO CC[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304762 372235776 /nfs/dbraw/zinc/23/57/76/372235776.db2.gz DBPAPNUZBTXZBM-KFWWJZLASA-N 1 3 294.414 3.055 20 70 CGIDHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304762 372235781 /nfs/dbraw/zinc/23/57/81/372235781.db2.gz DBPAPNUZBTXZBM-KFWWJZLASA-N 1 3 294.414 3.055 20 70 CGIDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000160063696 372209213 /nfs/dbraw/zinc/20/92/13/372209213.db2.gz QRHOMXOSLJVRHY-WFASDCNBSA-N 1 3 298.883 3.362 20 70 CGIDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000160063696 372209216 /nfs/dbraw/zinc/20/92/16/372209216.db2.gz QRHOMXOSLJVRHY-WFASDCNBSA-N 1 3 298.883 3.362 20 70 CGIDHO Cc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000217693400 270085285 /nfs/dbraw/zinc/08/52/85/270085285.db2.gz OCXXZHFVXSMTEP-HWMSQKFYSA-N 1 3 284.447 3.457 20 70 CGIDHO Cc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000217693400 270085286 /nfs/dbraw/zinc/08/52/86/270085286.db2.gz OCXXZHFVXSMTEP-HWMSQKFYSA-N 1 3 284.447 3.457 20 70 CGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080309 572882659 /nfs/dbraw/zinc/88/26/59/572882659.db2.gz UYVVPMKYYKJZCN-ZMSDIMECSA-N 1 3 276.399 3.275 20 70 CGIDHO CC(C)c1ccc(OCCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160326352 372237848 /nfs/dbraw/zinc/23/78/48/372237848.db2.gz IRCIGAFNDRJOBH-DOTOQJQBSA-N 1 3 290.451 3.261 20 70 CGIDHO CC(C)c1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160326352 372237856 /nfs/dbraw/zinc/23/78/56/372237856.db2.gz IRCIGAFNDRJOBH-DOTOQJQBSA-N 1 3 290.451 3.261 20 70 CGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000161111848 372302146 /nfs/dbraw/zinc/30/21/46/372302146.db2.gz QXLNAJPHKDMFMR-MAZHCROVSA-N 1 3 264.388 3.349 20 70 CGIDHO CN1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472218 372327082 /nfs/dbraw/zinc/32/70/82/372327082.db2.gz VRHLLPYAOAHVTL-MRXNPFEDSA-N 1 3 288.435 3.014 20 70 CGIDHO C[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)CN1CCCCC1 ZINC000218119516 376184744 /nfs/dbraw/zinc/18/47/44/376184744.db2.gz DOYKTYKAMLQDIE-HNNXBMFYSA-N 1 3 285.435 3.380 20 70 CGIDHO COc1ccc([C@@H](C)[N@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC000161354159 533100595 /nfs/dbraw/zinc/10/05/95/533100595.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 1 3 276.424 3.172 20 70 CGIDHO COc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC000161354159 533100601 /nfs/dbraw/zinc/10/06/01/533100601.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 1 3 276.424 3.172 20 70 CGIDHO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](CN)C2)c(C)c1 ZINC000217510067 376174206 /nfs/dbraw/zinc/17/42/06/376174206.db2.gz QRRSULBZKRZEJD-CVEARBPZSA-N 1 3 260.425 3.344 20 70 CGIDHO Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](CN)C2)c(C)c1 ZINC000217510067 376174211 /nfs/dbraw/zinc/17/42/11/376174211.db2.gz QRRSULBZKRZEJD-CVEARBPZSA-N 1 3 260.425 3.344 20 70 CGIDHO C1CCC(N2CCC([NH2+][C@@H]3CCCSC3)CC2)CC1 ZINC000159522130 372151784 /nfs/dbraw/zinc/15/17/84/372151784.db2.gz XDNBRNNXRKKQEM-OAHLLOKOSA-N 1 3 282.497 3.269 20 70 CGIDHO C1CCC([NH+]2CCC(N[C@@H]3CCCSC3)CC2)CC1 ZINC000159522130 372151794 /nfs/dbraw/zinc/15/17/94/372151794.db2.gz XDNBRNNXRKKQEM-OAHLLOKOSA-N 1 3 282.497 3.269 20 70 CGIDHO c1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690544 376179766 /nfs/dbraw/zinc/17/97/66/376179766.db2.gz SXXYVJRSMPFUPQ-FOIPXRHGSA-N 1 3 270.420 3.149 20 70 CGIDHO c1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217690544 376179771 /nfs/dbraw/zinc/17/97/71/376179771.db2.gz SXXYVJRSMPFUPQ-FOIPXRHGSA-N 1 3 270.420 3.149 20 70 CGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccs1 ZINC000161033881 372296205 /nfs/dbraw/zinc/29/62/05/372296205.db2.gz VMQUIDDPJVRNQL-AGIUHOORSA-N 1 3 252.427 3.272 20 70 CGIDHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160823687 372279233 /nfs/dbraw/zinc/27/92/33/372279233.db2.gz KJCHJVVSQNHVKW-MAUKXSAKSA-N 1 3 290.451 3.295 20 70 CGIDHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160823687 372279237 /nfs/dbraw/zinc/27/92/37/372279237.db2.gz KJCHJVVSQNHVKW-MAUKXSAKSA-N 1 3 290.451 3.295 20 70 CGIDHO COc1ccc([C@H](C)[N@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC000161354037 232249139 /nfs/dbraw/zinc/24/91/39/232249139.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 3 276.424 3.172 20 70 CGIDHO COc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC000161354037 232249141 /nfs/dbraw/zinc/24/91/41/232249141.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 3 276.424 3.172 20 70 CGIDHO CCCC[C@H](COC)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159621418 372163063 /nfs/dbraw/zinc/16/30/63/372163063.db2.gz PTQYADCDIDAZPE-CYBMUJFWSA-N 1 3 270.461 3.090 20 70 CGIDHO CCCC[C@H](COC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159621418 372163073 /nfs/dbraw/zinc/16/30/73/372163073.db2.gz PTQYADCDIDAZPE-CYBMUJFWSA-N 1 3 270.461 3.090 20 70 CGIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000161112085 372302344 /nfs/dbraw/zinc/30/23/44/372302344.db2.gz QXLNAJPHKDMFMR-RCBQFDQVSA-N 1 3 264.388 3.349 20 70 CGIDHO COc1ccc([C@@H](NC[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000217566941 376177677 /nfs/dbraw/zinc/17/76/77/376177677.db2.gz LGHUHRRNRCXRIY-KDOFPFPSSA-N 1 3 288.435 3.078 20 70 CGIDHO COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000217566941 376177684 /nfs/dbraw/zinc/17/76/84/376177684.db2.gz LGHUHRRNRCXRIY-KDOFPFPSSA-N 1 3 288.435 3.078 20 70 CGIDHO Cc1ccc(SCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160793965 372275288 /nfs/dbraw/zinc/27/52/88/372275288.db2.gz LOBPMGLTZJHDQF-HOCLYGCPSA-N 1 3 278.465 3.017 20 70 CGIDHO Cc1ccc(SCCN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160793965 372275295 /nfs/dbraw/zinc/27/52/95/372275295.db2.gz LOBPMGLTZJHDQF-HOCLYGCPSA-N 1 3 278.465 3.017 20 70 CGIDHO COc1cccc([C@H](CNc2cc[nH+]c(C)c2)N(C)C)c1 ZINC000160915134 372287482 /nfs/dbraw/zinc/28/74/82/372287482.db2.gz WYESYOKWXRXBRH-KRWDZBQOSA-N 1 3 285.391 3.113 20 70 CGIDHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000160892669 321859656 /nfs/dbraw/zinc/85/96/56/321859656.db2.gz HZLZQKCUUBJJGQ-MRXNPFEDSA-N 1 3 290.451 3.184 20 70 CGIDHO CS[C@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC000161445378 525902478 /nfs/dbraw/zinc/90/24/78/525902478.db2.gz LVHDGAZKXHHZLL-HNNXBMFYSA-N 1 3 270.486 3.080 20 70 CGIDHO CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000160208927 528586959 /nfs/dbraw/zinc/58/69/59/528586959.db2.gz FEEXQZPSZLBEFM-IXDOHACOSA-N 1 3 282.472 3.094 20 70 CGIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034777 372296917 /nfs/dbraw/zinc/29/69/17/372296917.db2.gz BOXOVJHDLKZTBA-BFYDXBDKSA-N 1 3 258.409 3.136 20 70 CGIDHO C[N@@H+]1CCC[C@@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565680 376176690 /nfs/dbraw/zinc/17/66/90/376176690.db2.gz UXNPEZOWRDWFKQ-GUYCJALGSA-N 1 3 276.399 3.208 20 70 CGIDHO C[N@H+]1CCC[C@@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565680 376176694 /nfs/dbraw/zinc/17/66/94/376176694.db2.gz UXNPEZOWRDWFKQ-GUYCJALGSA-N 1 3 276.399 3.208 20 70 CGIDHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(C)CC1 ZINC000160498910 321853190 /nfs/dbraw/zinc/85/31/90/321853190.db2.gz BLZSUZAIAFJVRU-CYBMUJFWSA-N 1 3 250.430 3.172 20 70 CGIDHO CCC[NH+]1CCC(NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000161347241 572884354 /nfs/dbraw/zinc/88/43/54/572884354.db2.gz YOKVLCFWCISLRT-UHFFFAOYSA-N 1 3 290.426 3.321 20 70 CGIDHO Cc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365418 392995762 /nfs/dbraw/zinc/99/57/62/392995762.db2.gz YRMMAWVBIRMILQ-WMLDXEAASA-N 1 3 283.419 3.116 20 70 CGIDHO Cc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365418 392995768 /nfs/dbraw/zinc/99/57/68/392995768.db2.gz YRMMAWVBIRMILQ-WMLDXEAASA-N 1 3 283.419 3.116 20 70 CGIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000161377931 275391138 /nfs/dbraw/zinc/39/11/38/275391138.db2.gz LPUOVRWECJGQHX-HOTGVXAUSA-N 1 3 250.430 3.127 20 70 CGIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000161377931 275391139 /nfs/dbraw/zinc/39/11/39/275391139.db2.gz LPUOVRWECJGQHX-HOTGVXAUSA-N 1 3 250.430 3.127 20 70 CGIDHO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000161103126 282046415 /nfs/dbraw/zinc/04/64/15/282046415.db2.gz JFIRFARKVNFTQW-KCQAQPDRSA-N 1 3 293.480 3.291 20 70 CGIDHO C[N@H+](CCCN1CCCCC1)CCc1cccs1 ZINC000161305375 529887022 /nfs/dbraw/zinc/88/70/22/529887022.db2.gz LOAPZTUZFLJADP-UHFFFAOYSA-N 1 3 266.454 3.098 20 70 CGIDHO C[N@@H+](CCCN1CCCCC1)CCc1cccs1 ZINC000161305375 529887023 /nfs/dbraw/zinc/88/70/23/529887023.db2.gz LOAPZTUZFLJADP-UHFFFAOYSA-N 1 3 266.454 3.098 20 70 CGIDHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(C)CC1 ZINC000160498802 372251720 /nfs/dbraw/zinc/25/17/20/372251720.db2.gz BLZSUZAIAFJVRU-ZDUSSCGKSA-N 1 3 250.430 3.172 20 70 CGIDHO CC[C@]1(C)CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161310899 529395669 /nfs/dbraw/zinc/39/56/69/529395669.db2.gz HMKNFICJMHZLQZ-MRXNPFEDSA-N 1 3 252.446 3.375 20 70 CGIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccs1 ZINC000161033617 372296384 /nfs/dbraw/zinc/29/63/84/372296384.db2.gz VMQUIDDPJVRNQL-UPJWGTAASA-N 1 3 252.427 3.272 20 70 CGIDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000161013048 321861494 /nfs/dbraw/zinc/86/14/94/321861494.db2.gz GKOULCFFAWKDSW-OTWHNJEPSA-N 1 3 286.463 3.470 20 70 CGIDHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161112425 525160021 /nfs/dbraw/zinc/16/00/21/525160021.db2.gz RSAOBSSNCRNSLX-BMFZPTHFSA-N 1 3 276.424 3.219 20 70 CGIDHO CC(C)c1ccc(OCCN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160326252 372237349 /nfs/dbraw/zinc/23/73/49/372237349.db2.gz IRCIGAFNDRJOBH-NVXWUHKLSA-N 1 3 290.451 3.261 20 70 CGIDHO CC(C)c1ccc(OCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160326252 372237354 /nfs/dbraw/zinc/23/73/54/372237354.db2.gz IRCIGAFNDRJOBH-NVXWUHKLSA-N 1 3 290.451 3.261 20 70 CGIDHO CN(C)Cc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000160892522 321859562 /nfs/dbraw/zinc/85/95/62/321859562.db2.gz HZLZQKCUUBJJGQ-INIZCTEOSA-N 1 3 290.451 3.184 20 70 CGIDHO C[C@@H](CC1CCOCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159640052 372164436 /nfs/dbraw/zinc/16/44/36/372164436.db2.gz FKZCNYKPYUSJIJ-ZDUSSCGKSA-N 1 3 282.472 3.090 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160326556 372239663 /nfs/dbraw/zinc/23/96/63/372239663.db2.gz IRCIGAFNDRJOBH-RDJZCZTQSA-N 1 3 290.451 3.261 20 70 CGIDHO CC(C)c1ccc(OCCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160326556 372239670 /nfs/dbraw/zinc/23/96/70/372239670.db2.gz IRCIGAFNDRJOBH-RDJZCZTQSA-N 1 3 290.451 3.261 20 70 CGIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000161112195 372302317 /nfs/dbraw/zinc/30/23/17/372302317.db2.gz QXLNAJPHKDMFMR-KCXAZCMYSA-N 1 3 264.388 3.349 20 70 CGIDHO CCCCOCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160259112 528587079 /nfs/dbraw/zinc/58/70/79/528587079.db2.gz LTWAHOUDPWRRMX-HOTGVXAUSA-N 1 3 270.461 3.094 20 70 CGIDHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000160505868 372253579 /nfs/dbraw/zinc/25/35/79/372253579.db2.gz IGTDIQQITRRAMC-INIZCTEOSA-N 1 3 250.430 3.172 20 70 CGIDHO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000161102943 372302258 /nfs/dbraw/zinc/30/22/58/372302258.db2.gz JFIRFARKVNFTQW-VNHYZAJKSA-N 1 3 293.480 3.291 20 70 CGIDHO CS[C@@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC000161445229 392585074 /nfs/dbraw/zinc/58/50/74/392585074.db2.gz LVHDGAZKXHHZLL-OAHLLOKOSA-N 1 3 270.486 3.080 20 70 CGIDHO Cc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691604 270085305 /nfs/dbraw/zinc/08/53/05/270085305.db2.gz PNCSVKYGZHFYCK-GMNCBBECSA-N 1 3 284.447 3.457 20 70 CGIDHO Cc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000217691604 270085306 /nfs/dbraw/zinc/08/53/06/270085306.db2.gz PNCSVKYGZHFYCK-GMNCBBECSA-N 1 3 284.447 3.457 20 70 CGIDHO CC[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305001 372235248 /nfs/dbraw/zinc/23/52/48/372235248.db2.gz DBPAPNUZBTXZBM-ILXRZTDVSA-N 1 3 294.414 3.055 20 70 CGIDHO CC[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305001 372235256 /nfs/dbraw/zinc/23/52/56/372235256.db2.gz DBPAPNUZBTXZBM-ILXRZTDVSA-N 1 3 294.414 3.055 20 70 CGIDHO CC1(C)C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C(C)(C)O1 ZINC000160501624 372251271 /nfs/dbraw/zinc/25/12/71/372251271.db2.gz UXXJIMATUKJVHR-MRXNPFEDSA-N 1 3 294.483 3.329 20 70 CGIDHO c1ccc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000161299949 275068061 /nfs/dbraw/zinc/06/80/61/275068061.db2.gz SMXZMWIAQGVZNB-GOSISDBHSA-N 1 3 272.436 3.352 20 70 CGIDHO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000161103058 282036035 /nfs/dbraw/zinc/03/60/35/282036035.db2.gz JFIRFARKVNFTQW-IPYPFGDCSA-N 1 3 293.480 3.291 20 70 CGIDHO CCCO[C@@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161026237 520272432 /nfs/dbraw/zinc/27/24/32/520272432.db2.gz GGUDAFMBVBCIMV-QGZVFWFLSA-N 1 3 282.472 3.144 20 70 CGIDHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161112544 525336923 /nfs/dbraw/zinc/33/69/23/525336923.db2.gz RSAOBSSNCRNSLX-BPUTZDHNSA-N 1 3 276.424 3.219 20 70 CGIDHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003235 282258327 /nfs/dbraw/zinc/25/83/27/282258327.db2.gz VXGODTAGULUNAT-HLLBOEOZSA-N 1 3 276.399 3.275 20 70 CGIDHO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160029463 346169575 /nfs/dbraw/zinc/16/95/75/346169575.db2.gz LLDBEDBLOOXQFK-LERXQTSPSA-N 1 3 297.240 3.370 20 70 CGIDHO COc1cccc([C@@H](CNc2cc[nH+]c(C)c2)N(C)C)c1 ZINC000160915223 372287955 /nfs/dbraw/zinc/28/79/55/372287955.db2.gz WYESYOKWXRXBRH-QGZVFWFLSA-N 1 3 285.391 3.113 20 70 CGIDHO c1oc2ccccc2c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000159817770 372183220 /nfs/dbraw/zinc/18/32/20/372183220.db2.gz VFKIBPZBDJPGGF-ZDUSSCGKSA-N 1 3 270.376 3.007 20 70 CGIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000161111339 372302029 /nfs/dbraw/zinc/30/20/29/372302029.db2.gz LWCZMMHXEYBBES-MAZHCROVSA-N 1 3 264.388 3.349 20 70 CGIDHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217513571 296226228 /nfs/dbraw/zinc/22/62/28/296226228.db2.gz IBGDPNFHYIAESK-RYUDHWBXSA-N 1 3 286.341 3.437 20 70 CGIDHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000217571482 376176125 /nfs/dbraw/zinc/17/61/25/376176125.db2.gz DSHKQURYYKKANV-KDOFPFPSSA-N 1 3 288.435 3.004 20 70 CGIDHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000217571482 376176129 /nfs/dbraw/zinc/17/61/29/376176129.db2.gz DSHKQURYYKKANV-KDOFPFPSSA-N 1 3 288.435 3.004 20 70 CGIDHO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000161103247 282036877 /nfs/dbraw/zinc/03/68/77/282036877.db2.gz JFIRFARKVNFTQW-YDHLFZDLSA-N 1 3 293.480 3.291 20 70 CGIDHO