smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216366 257125430 /nfs/dbraw/zinc/12/54/30/257125430.db2.gz APAFRMFNRHLTQB-QGZVFWFLSA-N 2 1 302.466 2.818 40 0 DFABMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000012706447 425735418 /nfs/dbraw/zinc/73/54/18/425735418.db2.gz WPQONXIGRVBJIT-UHFFFAOYSA-N 2 1 315.461 2.966 40 0 DFABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096047992 426390773 /nfs/dbraw/zinc/39/07/73/426390773.db2.gz FRPSPZADSIBYBL-GOSISDBHSA-N 2 1 315.461 2.547 40 0 DFABMP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1nccs1)CC2 ZINC000096051751 426392495 /nfs/dbraw/zinc/39/24/95/426392495.db2.gz JHHBVQZBIBYOKB-HNNXBMFYSA-N 2 1 323.506 2.854 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1nccs1)CC2 ZINC000096051751 426392498 /nfs/dbraw/zinc/39/24/98/426392498.db2.gz JHHBVQZBIBYOKB-HNNXBMFYSA-N 2 1 323.506 2.854 40 0 DFABMP CC[N@H+](C)[C@H]1COC2(C1)CC[NH+](Cc1csc(C)n1)CC2 ZINC000096220796 426409180 /nfs/dbraw/zinc/40/91/80/426409180.db2.gz NWMSHBOZLMHJEX-OAHLLOKOSA-N 2 1 309.479 2.527 40 0 DFABMP CC[N@@H+](C)[C@H]1COC2(C1)CC[NH+](Cc1csc(C)n1)CC2 ZINC000096220796 426409183 /nfs/dbraw/zinc/40/91/83/426409183.db2.gz NWMSHBOZLMHJEX-OAHLLOKOSA-N 2 1 309.479 2.527 40 0 DFABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3sccc3C)C2)C1 ZINC000096220210 426409699 /nfs/dbraw/zinc/40/96/99/426409699.db2.gz OZGPMADUMVFMDR-NVXWUHKLSA-N 2 1 308.491 2.847 40 0 DFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3sccc3C)C2)C1 ZINC000096220210 426409701 /nfs/dbraw/zinc/40/97/01/426409701.db2.gz OZGPMADUMVFMDR-NVXWUHKLSA-N 2 1 308.491 2.847 40 0 DFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3sccc3C)C2)C1 ZINC000096220210 426409703 /nfs/dbraw/zinc/40/97/03/426409703.db2.gz OZGPMADUMVFMDR-NVXWUHKLSA-N 2 1 308.491 2.847 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000100177596 426481541 /nfs/dbraw/zinc/48/15/41/426481541.db2.gz OBOLWGRFFHJTPT-KSZLIROESA-N 2 1 317.477 2.529 40 0 DFABMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000072394175 277035611 /nfs/dbraw/zinc/03/56/11/277035611.db2.gz OEOFKFDDLCMIFY-UHFFFAOYSA-N 2 1 323.440 2.941 40 0 DFABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000072394175 277035613 /nfs/dbraw/zinc/03/56/13/277035613.db2.gz OEOFKFDDLCMIFY-UHFFFAOYSA-N 2 1 323.440 2.941 40 0 DFABMP CC(C)C[C@H](C[NH3+])CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000585141559 398435783 /nfs/dbraw/zinc/43/57/83/398435783.db2.gz XHIWYSCXPHQACJ-ZWKOTPCHSA-N 2 1 318.461 2.815 40 0 DFABMP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000084114397 542505885 /nfs/dbraw/zinc/50/58/85/542505885.db2.gz LBNACZNSTJWFLS-KRWDZBQOSA-N 2 1 318.465 2.563 40 0 DFABMP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000084114397 542505887 /nfs/dbraw/zinc/50/58/87/542505887.db2.gz LBNACZNSTJWFLS-KRWDZBQOSA-N 2 1 318.465 2.563 40 0 DFABMP CCCC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216528 257125051 /nfs/dbraw/zinc/12/50/51/257125051.db2.gz WOKQHUKPOCBTBK-KRWDZBQOSA-N 2 1 302.466 2.770 40 0 DFABMP CCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC000096158872 426403057 /nfs/dbraw/zinc/40/30/57/426403057.db2.gz PPEPIZYXOLJXFU-UHFFFAOYSA-N 2 1 318.461 2.772 40 0 DFABMP CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC000096158872 426403061 /nfs/dbraw/zinc/40/30/61/426403061.db2.gz PPEPIZYXOLJXFU-UHFFFAOYSA-N 2 1 318.461 2.772 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccoc1)CC2 ZINC000096051747 426392209 /nfs/dbraw/zinc/39/22/09/426392209.db2.gz RAIIRDXJPXZERH-KRWDZBQOSA-N 2 1 306.450 2.991 40 0 DFABMP COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)cc1 ZINC000096056661 426392440 /nfs/dbraw/zinc/39/24/40/426392440.db2.gz BQKXQHBZUPUKRP-QRQLOZEOSA-N 2 1 318.461 2.625 40 0 DFABMP COc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@H+](C)C(C)C)O[C@H]3C2)cc1 ZINC000096056661 426392444 /nfs/dbraw/zinc/39/24/44/426392444.db2.gz BQKXQHBZUPUKRP-QRQLOZEOSA-N 2 1 318.461 2.625 40 0 DFABMP COc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@@H+](C)C(C)C)O[C@H]3C2)cc1 ZINC000096056661 426392447 /nfs/dbraw/zinc/39/24/47/426392447.db2.gz BQKXQHBZUPUKRP-QRQLOZEOSA-N 2 1 318.461 2.625 40 0 DFABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000096215510 426408497 /nfs/dbraw/zinc/40/84/97/426408497.db2.gz MYNAXDYPBHQZMW-RTBURBONSA-N 2 1 302.462 2.519 40 0 DFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096215510 426408498 /nfs/dbraw/zinc/40/84/98/426408498.db2.gz MYNAXDYPBHQZMW-RTBURBONSA-N 2 1 302.462 2.519 40 0 DFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096215510 426408500 /nfs/dbraw/zinc/40/85/00/426408500.db2.gz MYNAXDYPBHQZMW-RTBURBONSA-N 2 1 302.462 2.519 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096208141 426408520 /nfs/dbraw/zinc/40/85/20/426408520.db2.gz SUEYMKVBDXJKTH-QGZVFWFLSA-N 2 1 318.461 2.628 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177591 426481409 /nfs/dbraw/zinc/48/14/09/426481409.db2.gz NWVYPSHAWJEVKR-RYQLBKOJSA-N 2 1 317.477 2.672 40 0 DFABMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000195548895 426539487 /nfs/dbraw/zinc/53/94/87/426539487.db2.gz KZYVQLMELLATGB-JKSUJKDBSA-N 2 1 314.477 2.826 40 0 DFABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000248157212 426983881 /nfs/dbraw/zinc/98/38/81/426983881.db2.gz VYTMQAYAGONZKG-SFHVURJKSA-N 2 1 302.462 2.519 40 0 DFABMP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@@H+]1C ZINC000096207000 276330350 /nfs/dbraw/zinc/33/03/50/276330350.db2.gz ZFDBFUZZEGRUJV-KRWDZBQOSA-N 2 1 303.450 2.547 40 0 DFABMP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@H+]1C ZINC000096207000 276330351 /nfs/dbraw/zinc/33/03/51/276330351.db2.gz ZFDBFUZZEGRUJV-KRWDZBQOSA-N 2 1 303.450 2.547 40 0 DFABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000585104326 398433256 /nfs/dbraw/zinc/43/32/56/398433256.db2.gz YZJMZXXSJLUBGR-QGZVFWFLSA-N 2 1 306.494 2.999 40 0 DFABMP c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216271 257124679 /nfs/dbraw/zinc/12/46/79/257124679.db2.gz POFLDLVBJKEMKI-LJQANCHMSA-N 2 1 322.456 2.828 40 0 DFABMP CCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216600 257125021 /nfs/dbraw/zinc/12/50/21/257125021.db2.gz FKONYWIWMBVIEX-QGZVFWFLSA-N 2 1 302.466 2.770 40 0 DFABMP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096090683 426397025 /nfs/dbraw/zinc/39/70/25/426397025.db2.gz JZAOKHZKTHHCJX-OALUTQOASA-N 2 1 308.425 2.956 40 0 DFABMP C[NH+](C)CC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306140586 231090103 /nfs/dbraw/zinc/09/01/03/231090103.db2.gz UXXIVSQCVSSPDK-INIZCTEOSA-N 2 1 323.444 2.873 40 0 DFABMP C[NH+](C)CC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306140586 231090105 /nfs/dbraw/zinc/09/01/05/231090105.db2.gz UXXIVSQCVSSPDK-INIZCTEOSA-N 2 1 323.444 2.873 40 0 DFABMP C[C@@H]1c2ccsc2CC[N@@H+]1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000019498346 182126016 /nfs/dbraw/zinc/12/60/16/182126016.db2.gz JSFNGVKTERVXQG-OAHLLOKOSA-N 2 1 321.534 2.941 40 0 DFABMP CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216526 257124928 /nfs/dbraw/zinc/12/49/28/257124928.db2.gz BZBXJFATXIPELZ-KRWDZBQOSA-N 2 1 302.466 2.626 40 0 DFABMP CC(C)[NH+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000084597264 426240343 /nfs/dbraw/zinc/24/03/43/426240343.db2.gz MXOAHEQCJGQNKK-KRWDZBQOSA-N 2 1 305.466 2.524 40 0 DFABMP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096090684 426396504 /nfs/dbraw/zinc/39/65/04/426396504.db2.gz JZAOKHZKTHHCJX-RTBURBONSA-N 2 1 308.425 2.956 40 0 DFABMP Cc1cccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC000195566819 426538949 /nfs/dbraw/zinc/53/89/49/426538949.db2.gz OMFWSRJFAGSXEN-UHFFFAOYSA-N 2 1 311.429 2.959 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079415576 185170738 /nfs/dbraw/zinc/17/07/38/185170738.db2.gz NWVYPSHAWJEVKR-ZLPCBKJTSA-N 2 1 317.477 2.672 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415777 185170987 /nfs/dbraw/zinc/17/09/87/185170987.db2.gz MAXBEYWPSYQWFY-BZSNNMDCSA-N 2 1 317.477 2.529 40 0 DFABMP CCn1cc(C[N@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1 ZINC000257336651 203058007 /nfs/dbraw/zinc/05/80/07/203058007.db2.gz YPJPCZIKSDEOJZ-OAHLLOKOSA-N 2 1 313.449 2.946 40 0 DFABMP c1csc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC000096196850 426405929 /nfs/dbraw/zinc/40/59/29/426405929.db2.gz AMUSTGVYZHQETJ-UHFFFAOYSA-N 2 1 316.474 2.599 40 0 DFABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048029 426391164 /nfs/dbraw/zinc/39/11/64/426391164.db2.gz PHTMCZPSZQSKRD-INIZCTEOSA-N 2 1 304.434 2.745 40 0 DFABMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)C2 ZINC000096045681 426391231 /nfs/dbraw/zinc/39/12/31/426391231.db2.gz OFPLDXIMUUGSFR-UHFFFAOYSA-N 2 1 312.461 2.782 40 0 DFABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)C2 ZINC000096045681 426391235 /nfs/dbraw/zinc/39/12/35/426391235.db2.gz OFPLDXIMUUGSFR-UHFFFAOYSA-N 2 1 312.461 2.782 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1)C2 ZINC000096045681 426391237 /nfs/dbraw/zinc/39/12/37/426391237.db2.gz OFPLDXIMUUGSFR-UHFFFAOYSA-N 2 1 312.461 2.782 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1)C2 ZINC000096045681 426391241 /nfs/dbraw/zinc/39/12/41/426391241.db2.gz OFPLDXIMUUGSFR-UHFFFAOYSA-N 2 1 312.461 2.782 40 0 DFABMP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1 ZINC000096205887 426408560 /nfs/dbraw/zinc/40/85/60/426408560.db2.gz WVINCFDCOYQECU-RTBURBONSA-N 2 1 302.462 2.989 40 0 DFABMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000195548898 426538358 /nfs/dbraw/zinc/53/83/58/426538358.db2.gz KZYVQLMELLATGB-HOTGVXAUSA-N 2 1 314.477 2.826 40 0 DFABMP CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000195559945 426538407 /nfs/dbraw/zinc/53/84/07/426538407.db2.gz QFTVYFGYGIYQGL-YZGWKJHDSA-N 2 1 324.472 2.903 40 0 DFABMP Cc1ccc(C)c(C[NH+]2CC3(C2)OCC[C@@H]3CC[NH+](C)C)c1 ZINC000248127861 426980507 /nfs/dbraw/zinc/98/05/07/426980507.db2.gz PJZONRJRBIYMLB-SFHVURJKSA-N 2 1 302.462 2.846 40 0 DFABMP C[C@H]1[C@H](CC[NH+](C)C)COCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000248132911 426985052 /nfs/dbraw/zinc/98/50/52/426985052.db2.gz QWNWSYRBYBGUSZ-DZGCQCFKSA-N 2 1 312.404 2.753 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415581 185170629 /nfs/dbraw/zinc/17/06/29/185170629.db2.gz GXQYMQSOVDRBTG-JQHSSLGASA-N 2 1 317.477 2.672 40 0 DFABMP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004325887 181097913 /nfs/dbraw/zinc/09/79/13/181097913.db2.gz ASIXXJPWMHNLIN-YCPHGPKFSA-N 2 1 306.450 2.565 40 0 DFABMP CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216585 257125302 /nfs/dbraw/zinc/12/53/02/257125302.db2.gz VQFVALZGIJGCHU-QGZVFWFLSA-N 2 1 302.466 2.626 40 0 DFABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079415559 426191286 /nfs/dbraw/zinc/19/12/86/426191286.db2.gz YRJOIHDDZZOEJZ-FUHWJXTLSA-N 2 1 317.477 2.625 40 0 DFABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048091 426390764 /nfs/dbraw/zinc/39/07/64/426390764.db2.gz FPHIRMCLRVTPBN-SFHVURJKSA-N 2 1 315.461 2.547 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096207847 426407176 /nfs/dbraw/zinc/40/71/76/426407176.db2.gz JOHYMYOTMYCZCZ-HNNXBMFYSA-N 2 1 308.491 2.989 40 0 DFABMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165047 341374162 /nfs/dbraw/zinc/37/41/62/341374162.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 3 1 315.505 2.782 40 0 DFABMP CN(C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248165047 341374163 /nfs/dbraw/zinc/37/41/63/341374163.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 3 1 315.505 2.782 40 0 DFABMP CN(C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248165047 341374164 /nfs/dbraw/zinc/37/41/64/341374164.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 3 1 315.505 2.782 40 0 DFABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000585102683 398432135 /nfs/dbraw/zinc/43/21/35/398432135.db2.gz ATVYODXKUIESDE-QGZVFWFLSA-N 2 1 318.461 2.850 40 0 DFABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000585104257 398433394 /nfs/dbraw/zinc/43/33/94/398433394.db2.gz XLGAYQSJRYXWMR-INIZCTEOSA-N 2 1 306.425 2.616 40 0 DFABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000072386145 191145361 /nfs/dbraw/zinc/14/53/61/191145361.db2.gz LMGLPKAVJKZJPY-MRXNPFEDSA-N 2 1 303.450 2.672 40 0 DFABMP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004325885 181097740 /nfs/dbraw/zinc/09/77/40/181097740.db2.gz ASIXXJPWMHNLIN-FMKPAKJESA-N 2 1 306.450 2.565 40 0 DFABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257299438 203023428 /nfs/dbraw/zinc/02/34/28/203023428.db2.gz RQBZMHALXGKVHQ-CYBMUJFWSA-N 2 1 302.447 2.902 40 0 DFABMP c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216331 257125085 /nfs/dbraw/zinc/12/50/85/257125085.db2.gz AAWWVCMRDLGASW-LJQANCHMSA-N 2 1 322.456 2.828 40 0 DFABMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216540 257125109 /nfs/dbraw/zinc/12/51/09/257125109.db2.gz ARDCAJDZZRFHDR-QGZVFWFLSA-N 2 1 302.466 2.770 40 0 DFABMP CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216601 257125198 /nfs/dbraw/zinc/12/51/98/257125198.db2.gz FKONYWIWMBVIEX-KRWDZBQOSA-N 2 1 302.466 2.770 40 0 DFABMP CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216602 257125460 /nfs/dbraw/zinc/12/54/60/257125460.db2.gz VGBDJSYSOXRUHZ-QGZVFWFLSA-N 2 1 302.466 2.769 40 0 DFABMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000012706443 425734416 /nfs/dbraw/zinc/73/44/16/425734416.db2.gz HEFLHJSPIMWPAG-UHFFFAOYSA-N 2 1 315.461 2.966 40 0 DFABMP c1csc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)c1 ZINC000096056232 426392109 /nfs/dbraw/zinc/39/21/09/426392109.db2.gz AXBADEOAZKYHTK-BHYGNILZSA-N 2 1 306.475 2.681 40 0 DFABMP c1cc(C[N@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)cs1 ZINC000096217204 426408207 /nfs/dbraw/zinc/40/82/07/426408207.db2.gz XWYAQYSNFXUOLD-DLBZAZTESA-N 2 1 306.475 2.967 40 0 DFABMP CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195559949 426538199 /nfs/dbraw/zinc/53/81/99/426538199.db2.gz QFTVYFGYGIYQGL-YSIASYRMSA-N 2 1 324.472 2.903 40 0 DFABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000248157207 426983219 /nfs/dbraw/zinc/98/32/19/426983219.db2.gz VYTMQAYAGONZKG-GOSISDBHSA-N 2 1 302.462 2.519 40 0 DFABMP c1ccc(C[N@H+]2CCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216272 257124993 /nfs/dbraw/zinc/12/49/93/257124993.db2.gz POFLDLVBJKEMKI-IBGZPJMESA-N 2 1 322.456 2.828 40 0 DFABMP C[NH+](C)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]2N1CC1CC1 ZINC000096185575 426405216 /nfs/dbraw/zinc/40/52/16/426405216.db2.gz IZEVTOHTKFASDX-AOIWGVFYSA-N 2 1 317.477 2.516 40 0 DFABMP C[NH+](C)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]2N1CC1CC1 ZINC000096185575 426405220 /nfs/dbraw/zinc/40/52/20/426405220.db2.gz IZEVTOHTKFASDX-AOIWGVFYSA-N 2 1 317.477 2.516 40 0 DFABMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@@H](C)C1 ZINC000195540741 426537243 /nfs/dbraw/zinc/53/72/43/426537243.db2.gz MNYWMMGUVMHAIH-WMLDXEAASA-N 2 1 303.450 2.690 40 0 DFABMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@@H](C)C1 ZINC000195540741 426537247 /nfs/dbraw/zinc/53/72/47/426537247.db2.gz MNYWMMGUVMHAIH-WMLDXEAASA-N 2 1 303.450 2.690 40 0 DFABMP CCn1nccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195559948 426539229 /nfs/dbraw/zinc/53/92/29/426539229.db2.gz QFTVYFGYGIYQGL-HOJAQTOUSA-N 2 1 324.472 2.903 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000248000347 426971071 /nfs/dbraw/zinc/97/10/71/426971071.db2.gz NWVYPSHAWJEVKR-SZMVWBNQSA-N 2 1 317.477 2.672 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415772 276020304 /nfs/dbraw/zinc/02/03/04/276020304.db2.gz MAXBEYWPSYQWFY-SQNIBIBYSA-N 2 1 317.477 2.529 40 0 DFABMP CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216367 257124955 /nfs/dbraw/zinc/12/49/55/257124955.db2.gz APAFRMFNRHLTQB-KRWDZBQOSA-N 2 1 302.466 2.818 40 0 DFABMP Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096090682 426396338 /nfs/dbraw/zinc/39/63/38/426396338.db2.gz JZAOKHZKTHHCJX-KDURUIRLSA-N 2 1 308.425 2.956 40 0 DFABMP Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096090682 426396341 /nfs/dbraw/zinc/39/63/41/426396341.db2.gz JZAOKHZKTHHCJX-KDURUIRLSA-N 2 1 308.425 2.956 40 0 DFABMP Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096090682 426396345 /nfs/dbraw/zinc/39/63/45/426396345.db2.gz JZAOKHZKTHHCJX-KDURUIRLSA-N 2 1 308.425 2.956 40 0 DFABMP Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096090682 426396348 /nfs/dbraw/zinc/39/63/48/426396348.db2.gz JZAOKHZKTHHCJX-KDURUIRLSA-N 2 1 308.425 2.956 40 0 DFABMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096046514 426391477 /nfs/dbraw/zinc/39/14/77/426391477.db2.gz LWGJFEQDTMDJGT-UHFFFAOYSA-N 2 1 322.456 2.965 40 0 DFABMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000096484355 426434619 /nfs/dbraw/zinc/43/46/19/426434619.db2.gz YDMLKFFQWJASGX-HPTBWKMGSA-N 2 1 310.388 2.603 40 0 DFABMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000096484355 426434622 /nfs/dbraw/zinc/43/46/22/426434622.db2.gz YDMLKFFQWJASGX-HPTBWKMGSA-N 2 1 310.388 2.603 40 0 DFABMP C[NH+](C)CC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306129578 426913711 /nfs/dbraw/zinc/91/37/11/426913711.db2.gz IHFIOJFRUKVTSU-KRWDZBQOSA-N 2 1 323.444 2.873 40 0 DFABMP C[NH+](C)CC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306129578 426913717 /nfs/dbraw/zinc/91/37/17/426913717.db2.gz IHFIOJFRUKVTSU-KRWDZBQOSA-N 2 1 323.444 2.873 40 0 DFABMP Cc1[nH+]cc2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n21 ZINC000257214397 427315117 /nfs/dbraw/zinc/31/51/17/427315117.db2.gz CLVKCFVEZZWTSO-INIZCTEOSA-N 2 1 307.401 2.812 40 0 DFABMP Cc1[nH+]cc2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n21 ZINC000257214397 427315124 /nfs/dbraw/zinc/31/51/24/427315124.db2.gz CLVKCFVEZZWTSO-INIZCTEOSA-N 2 1 307.401 2.812 40 0 DFABMP Cc1cc(N2CC[NH+](C3CCCC3)CC2)cc([C@H]2CC[NH2+]C2)n1 ZINC000019739113 398408499 /nfs/dbraw/zinc/40/84/99/398408499.db2.gz YNNCCJVAGHJRSL-INIZCTEOSA-N 2 1 314.477 2.532 40 0 DFABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000585104258 398433504 /nfs/dbraw/zinc/43/35/04/398433504.db2.gz XLGAYQSJRYXWMR-MRXNPFEDSA-N 2 1 306.425 2.616 40 0 DFABMP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCC[NH2+]C)o2)cc1 ZINC000008253096 256523211 /nfs/dbraw/zinc/52/32/11/256523211.db2.gz FBNHKVIDTRXOCD-UHFFFAOYSA-N 2 1 316.401 2.822 40 0 DFABMP CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216365 257124837 /nfs/dbraw/zinc/12/48/37/257124837.db2.gz AKAQEGNNAAFLKC-KRWDZBQOSA-N 2 1 302.466 2.674 40 0 DFABMP C[NH+](C)CCN1CC[N@H+](Cc2cccs2)Cc2cccnc21 ZINC000096198828 426405913 /nfs/dbraw/zinc/40/59/13/426405913.db2.gz SMEPRUOFHVOODX-UHFFFAOYSA-N 2 1 316.474 2.527 40 0 DFABMP C[NH+](C)CCN1CC[N@@H+](Cc2cccs2)Cc2cccnc21 ZINC000096198828 426405915 /nfs/dbraw/zinc/40/59/15/426405915.db2.gz SMEPRUOFHVOODX-UHFFFAOYSA-N 2 1 316.474 2.527 40 0 DFABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)o1 ZINC000096056235 426393635 /nfs/dbraw/zinc/39/36/35/426393635.db2.gz KUHLOBNREZYWCG-RYQLBKOJSA-N 2 1 304.434 2.521 40 0 DFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096220380 426409158 /nfs/dbraw/zinc/40/91/58/426409158.db2.gz CSRLSCROBUHBIW-WMZOPIPTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096220380 426409162 /nfs/dbraw/zinc/40/91/62/426409162.db2.gz CSRLSCROBUHBIW-WMZOPIPTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096220380 426409165 /nfs/dbraw/zinc/40/91/65/426409165.db2.gz CSRLSCROBUHBIW-WMZOPIPTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096220380 426409167 /nfs/dbraw/zinc/40/91/67/426409167.db2.gz CSRLSCROBUHBIW-WMZOPIPTSA-N 2 1 320.502 2.928 40 0 DFABMP Cc1ccsc1CN1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257200923 427310989 /nfs/dbraw/zinc/31/09/89/427310989.db2.gz AFJCFTGELZREOQ-HNNXBMFYSA-N 2 1 303.431 2.916 40 0 DFABMP CCn1cc(C[N@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1 ZINC000257336650 203058490 /nfs/dbraw/zinc/05/84/90/203058490.db2.gz YPJPCZIKSDEOJZ-HNNXBMFYSA-N 2 1 313.449 2.946 40 0 DFABMP Cc1ccccc1CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000084695232 542514216 /nfs/dbraw/zinc/51/42/16/542514216.db2.gz PINOKWHZEUKOJE-HXUWFJFHSA-N 2 1 315.505 2.639 40 0 DFABMP Cc1ccccc1CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000084695233 542514285 /nfs/dbraw/zinc/51/42/85/542514285.db2.gz PINOKWHZEUKOJE-FQEVSTJZSA-N 2 1 315.505 2.639 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccccn1)CC2 ZINC000096051761 426393503 /nfs/dbraw/zinc/39/35/03/426393503.db2.gz FVPBGHZGZPHIDJ-SFHVURJKSA-N 2 1 317.477 2.793 40 0 DFABMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096216727 426408045 /nfs/dbraw/zinc/40/80/45/426408045.db2.gz VQMXOMBHQMPIBW-SJLPKXTDSA-N 2 1 320.502 2.928 40 0 DFABMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096216727 426408048 /nfs/dbraw/zinc/40/80/48/426408048.db2.gz VQMXOMBHQMPIBW-SJLPKXTDSA-N 2 1 320.502 2.928 40 0 DFABMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096216727 426408053 /nfs/dbraw/zinc/40/80/53/426408053.db2.gz VQMXOMBHQMPIBW-SJLPKXTDSA-N 2 1 320.502 2.928 40 0 DFABMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096216727 426408057 /nfs/dbraw/zinc/40/80/57/426408057.db2.gz VQMXOMBHQMPIBW-SJLPKXTDSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](CCc1ccccc1)CC2 ZINC000096207513 426408155 /nfs/dbraw/zinc/40/81/55/426408155.db2.gz IUWBHPGGRNFKEC-GOSISDBHSA-N 2 1 302.462 2.662 40 0 DFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)o1)C2 ZINC000096219397 426409038 /nfs/dbraw/zinc/40/90/38/426409038.db2.gz BEWHNSJLJLEYDI-HKUYNNGSSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)o1)C2 ZINC000096219397 426409042 /nfs/dbraw/zinc/40/90/42/426409042.db2.gz BEWHNSJLJLEYDI-HKUYNNGSSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096219397 426409045 /nfs/dbraw/zinc/40/90/45/426409045.db2.gz BEWHNSJLJLEYDI-HKUYNNGSSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096219397 426409047 /nfs/dbraw/zinc/40/90/47/426409047.db2.gz BEWHNSJLJLEYDI-HKUYNNGSSA-N 2 1 318.461 2.768 40 0 DFABMP CCOC(=O)[C@@H](C[NH3+])[C@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351589 426557626 /nfs/dbraw/zinc/55/76/26/426557626.db2.gz ZVWBFUVUIJMJET-QGWWYQLQSA-N 2 1 322.493 2.805 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000192715934 427594661 /nfs/dbraw/zinc/59/46/61/427594661.db2.gz MUJXBVUKLMAMGM-HNNXBMFYSA-N 2 1 321.431 2.677 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000192715947 427595529 /nfs/dbraw/zinc/59/55/29/427595529.db2.gz MUJXBVUKLMAMGM-OAHLLOKOSA-N 2 1 321.431 2.677 40 0 DFABMP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000019760533 398408532 /nfs/dbraw/zinc/40/85/32/398408532.db2.gz BHJLRXXQKALMJV-MRXNPFEDSA-N 2 1 317.481 2.955 40 0 DFABMP COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1nccs1)CC2 ZINC000096051750 193503733 /nfs/dbraw/zinc/50/37/33/193503733.db2.gz JHHBVQZBIBYOKB-OAHLLOKOSA-N 2 1 323.506 2.854 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1nccs1)CC2 ZINC000096051750 193503735 /nfs/dbraw/zinc/50/37/35/193503735.db2.gz JHHBVQZBIBYOKB-OAHLLOKOSA-N 2 1 323.506 2.854 40 0 DFABMP Cc1ccc(CN(CCC[NH+](C)C)Cc2c[nH+]c(C)n2C)o1 ZINC000043277915 183350719 /nfs/dbraw/zinc/35/07/19/183350719.db2.gz XCFSRHZOKWXUKS-UHFFFAOYSA-N 2 1 304.438 2.584 40 0 DFABMP Cc1cc(Br)cc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000068136473 425916236 /nfs/dbraw/zinc/91/62/36/425916236.db2.gz ZJTZFFUESRZWGP-UHFFFAOYSA-N 2 1 306.207 2.715 40 0 DFABMP [NH3+]CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000049596435 425879956 /nfs/dbraw/zinc/87/99/56/425879956.db2.gz ZUKVYOHXHRKRQT-UHFFFAOYSA-N 2 1 301.203 2.759 40 0 DFABMP Cc1nc(C[NH+]2CC[C@H]3CO[C@H](C[N@H+](C)C(C)C)[C@H]3C2)cs1 ZINC000107202312 425986481 /nfs/dbraw/zinc/98/64/81/425986481.db2.gz SBUFHSUMCABGFK-BHYGNILZSA-N 2 1 323.506 2.629 40 0 DFABMP Cc1nc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000107202312 425986485 /nfs/dbraw/zinc/98/64/85/425986485.db2.gz SBUFHSUMCABGFK-BHYGNILZSA-N 2 1 323.506 2.629 40 0 DFABMP Cc1nc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000107202312 425986487 /nfs/dbraw/zinc/98/64/87/425986487.db2.gz SBUFHSUMCABGFK-BHYGNILZSA-N 2 1 323.506 2.629 40 0 DFABMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)nc1 ZINC000096158844 426403699 /nfs/dbraw/zinc/40/36/99/426403699.db2.gz HVNHXGPVRPURQT-UHFFFAOYSA-N 2 1 315.461 2.549 40 0 DFABMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)nc1 ZINC000096158844 426403700 /nfs/dbraw/zinc/40/37/00/426403700.db2.gz HVNHXGPVRPURQT-UHFFFAOYSA-N 2 1 315.461 2.549 40 0 DFABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C(C)C)CC2 ZINC000585104277 398433236 /nfs/dbraw/zinc/43/32/36/398433236.db2.gz XYNCVKPGGVYKCN-INIZCTEOSA-N 2 1 306.450 2.848 40 0 DFABMP Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000072386146 426015053 /nfs/dbraw/zinc/01/50/53/426015053.db2.gz LMGLPKAVJKZJPY-INIZCTEOSA-N 2 1 303.450 2.672 40 0 DFABMP c1nc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)c[nH]1 ZINC000096081940 426396619 /nfs/dbraw/zinc/39/66/19/426396619.db2.gz ABARKGWVVMXLEA-HDMKZQKVSA-N 2 1 311.433 2.765 40 0 DFABMP c1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)[nH]1 ZINC000096081940 426396621 /nfs/dbraw/zinc/39/66/21/426396621.db2.gz ABARKGWVVMXLEA-HDMKZQKVSA-N 2 1 311.433 2.765 40 0 DFABMP c1ncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)[nH]1 ZINC000096081940 426396625 /nfs/dbraw/zinc/39/66/25/426396625.db2.gz ABARKGWVVMXLEA-HDMKZQKVSA-N 2 1 311.433 2.765 40 0 DFABMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC000096046513 426391519 /nfs/dbraw/zinc/39/15/19/426391519.db2.gz HNKZRFNNBHGZBN-UHFFFAOYSA-N 2 1 322.456 2.965 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](CCc1ccccc1)CC2 ZINC000096207514 426407442 /nfs/dbraw/zinc/40/74/42/426407442.db2.gz IUWBHPGGRNFKEC-SFHVURJKSA-N 2 1 302.462 2.662 40 0 DFABMP C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096215808 426408255 /nfs/dbraw/zinc/40/82/55/426408255.db2.gz VQMXOMBHQMPIBW-FUHWJXTLSA-N 2 1 320.502 2.928 40 0 DFABMP C[N@H+]1C[C@@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096215808 426408258 /nfs/dbraw/zinc/40/82/58/426408258.db2.gz VQMXOMBHQMPIBW-FUHWJXTLSA-N 2 1 320.502 2.928 40 0 DFABMP C[NH+]1C[C@@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096215808 426408262 /nfs/dbraw/zinc/40/82/62/426408262.db2.gz VQMXOMBHQMPIBW-FUHWJXTLSA-N 2 1 320.502 2.928 40 0 DFABMP C[NH+]1C[C@@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096215808 426408264 /nfs/dbraw/zinc/40/82/64/426408264.db2.gz VQMXOMBHQMPIBW-FUHWJXTLSA-N 2 1 320.502 2.928 40 0 DFABMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@@H](C)C1 ZINC000195540742 426536646 /nfs/dbraw/zinc/53/66/46/426536646.db2.gz MNYWMMGUVMHAIH-YOEHRIQHSA-N 2 1 303.450 2.690 40 0 DFABMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@@H](C)C1 ZINC000195540742 426536650 /nfs/dbraw/zinc/53/66/50/426536650.db2.gz MNYWMMGUVMHAIH-YOEHRIQHSA-N 2 1 303.450 2.690 40 0 DFABMP CCOC(=O)[C@@H](C[NH3+])[C@@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351690 426556902 /nfs/dbraw/zinc/55/69/02/426556902.db2.gz ZVWBFUVUIJMJET-QXGSTGNESA-N 2 1 322.493 2.805 40 0 DFABMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165048 341374180 /nfs/dbraw/zinc/37/41/80/341374180.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 3 1 315.505 2.782 40 0 DFABMP CN(C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248165048 341374181 /nfs/dbraw/zinc/37/41/81/341374181.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 3 1 315.505 2.782 40 0 DFABMP CN(C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248165048 341374182 /nfs/dbraw/zinc/37/41/82/341374182.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 3 1 315.505 2.782 40 0 DFABMP CC[NH+](CC)C[C@H]1CO[C@@H]2C[N@@H+](Cc3sccc3C)C[C@H]12 ZINC000306135039 528185406 /nfs/dbraw/zinc/18/54/06/528185406.db2.gz OFNQDRYHUCBMQQ-ARFHVFGLSA-N 2 1 308.491 2.845 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000079415770 185170613 /nfs/dbraw/zinc/17/06/13/185170613.db2.gz OBOLWGRFFHJTPT-ABHNRTSZSA-N 2 1 317.477 2.529 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096207846 426407869 /nfs/dbraw/zinc/40/78/69/426407869.db2.gz JOHYMYOTMYCZCZ-OAHLLOKOSA-N 2 1 308.491 2.989 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC000192746476 427603221 /nfs/dbraw/zinc/60/32/21/427603221.db2.gz MPQBBHLRDZVZOG-SFHVURJKSA-N 2 1 315.505 2.849 40 0 DFABMP C[N@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096079600 277209016 /nfs/dbraw/zinc/20/90/16/277209016.db2.gz RFPPKERHGFBWFU-UHFFFAOYSA-N 2 1 300.446 2.645 40 0 DFABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000585102681 398431923 /nfs/dbraw/zinc/43/19/23/398431923.db2.gz ATVYODXKUIESDE-KRWDZBQOSA-N 2 1 318.461 2.850 40 0 DFABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103977 398432363 /nfs/dbraw/zinc/43/23/63/398432363.db2.gz VBAFNZYHHBYUOS-HNNXBMFYSA-N 2 1 308.491 2.847 40 0 DFABMP CC(C)C[C@H](C[NH3+])CC(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000585141231 398435960 /nfs/dbraw/zinc/43/59/60/398435960.db2.gz RRXAHPNSQKCLKH-KRWDZBQOSA-N 2 1 306.450 2.673 40 0 DFABMP CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216364 257125608 /nfs/dbraw/zinc/12/56/08/257125608.db2.gz AKAQEGNNAAFLKC-QGZVFWFLSA-N 2 1 302.466 2.674 40 0 DFABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C1 ZINC000030946689 425833206 /nfs/dbraw/zinc/83/32/06/425833206.db2.gz ZFKLZPWDISNZDG-INIZCTEOSA-N 2 1 317.477 2.600 40 0 DFABMP Fc1cccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCOC4)C3)CC2)c1 ZINC000107190972 425985617 /nfs/dbraw/zinc/98/56/17/425985617.db2.gz PMMWUCMUDDRCDZ-GOSISDBHSA-N 2 1 318.436 2.903 40 0 DFABMP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096062413 426394939 /nfs/dbraw/zinc/39/49/39/426394939.db2.gz IDHQYFZUAFOSBC-KRWDZBQOSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096062413 426394941 /nfs/dbraw/zinc/39/49/41/426394941.db2.gz IDHQYFZUAFOSBC-KRWDZBQOSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096062413 426394943 /nfs/dbraw/zinc/39/49/43/426394943.db2.gz IDHQYFZUAFOSBC-KRWDZBQOSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096062413 426394946 /nfs/dbraw/zinc/39/49/46/426394946.db2.gz IDHQYFZUAFOSBC-KRWDZBQOSA-N 2 1 306.475 2.682 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccncc1)CC2 ZINC000096051762 426392599 /nfs/dbraw/zinc/39/25/99/426392599.db2.gz UZMWVFRNMJCXGL-GOSISDBHSA-N 2 1 317.477 2.793 40 0 DFABMP c1cc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)cs1 ZINC000096056234 426393401 /nfs/dbraw/zinc/39/34/01/426393401.db2.gz WCIQUZNDORSWNH-YESZJQIVSA-N 2 1 306.475 2.681 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccoc1)CC2 ZINC000096051746 426393436 /nfs/dbraw/zinc/39/34/36/426393436.db2.gz RAIIRDXJPXZERH-QGZVFWFLSA-N 2 1 306.450 2.991 40 0 DFABMP Cc1csc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)n1 ZINC000096207946 426407268 /nfs/dbraw/zinc/40/72/68/426407268.db2.gz IMLXTMKBOYGEJM-NVXWUHKLSA-N 2 1 321.490 2.671 40 0 DFABMP Cc1csc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)n1 ZINC000096207946 426407271 /nfs/dbraw/zinc/40/72/71/426407271.db2.gz IMLXTMKBOYGEJM-NVXWUHKLSA-N 2 1 321.490 2.671 40 0 DFABMP Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000306134415 534472166 /nfs/dbraw/zinc/47/21/66/534472166.db2.gz NMSFEKJVYLGGBE-ARFHVFGLSA-N 2 1 306.475 2.599 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415595 185170588 /nfs/dbraw/zinc/17/05/88/185170588.db2.gz GXQYMQSOVDRBTG-SZMVWBNQSA-N 2 1 317.477 2.672 40 0 DFABMP C[N@H+]1C[C@H](C[NH+]2CCCCCC2)[C@H](O)[C@H](c2ccccc2)C1 ZINC000005699190 181274376 /nfs/dbraw/zinc/27/43/76/181274376.db2.gz KLSHAXBXEWJRGO-QYZOEREBSA-N 2 1 302.462 2.569 40 0 DFABMP C[N@@H+]1C[C@H](C[NH+]2CCCCCC2)[C@H](O)[C@H](c2ccccc2)C1 ZINC000005699190 181274374 /nfs/dbraw/zinc/27/43/74/181274374.db2.gz KLSHAXBXEWJRGO-QYZOEREBSA-N 2 1 302.462 2.569 40 0 DFABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079415564 426191692 /nfs/dbraw/zinc/19/16/92/426191692.db2.gz YRJOIHDDZZOEJZ-WMZOPIPTSA-N 2 1 317.477 2.625 40 0 DFABMP C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185666 426404170 /nfs/dbraw/zinc/40/41/70/426404170.db2.gz MOOUXVOYDCSRFQ-VYDXJSESSA-N 2 1 316.474 2.539 40 0 DFABMP C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185666 426404172 /nfs/dbraw/zinc/40/41/72/426404172.db2.gz MOOUXVOYDCSRFQ-VYDXJSESSA-N 2 1 316.474 2.539 40 0 DFABMP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185666 426404175 /nfs/dbraw/zinc/40/41/75/426404175.db2.gz MOOUXVOYDCSRFQ-VYDXJSESSA-N 2 1 316.474 2.539 40 0 DFABMP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185666 426404178 /nfs/dbraw/zinc/40/41/78/426404178.db2.gz MOOUXVOYDCSRFQ-VYDXJSESSA-N 2 1 316.474 2.539 40 0 DFABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)s1 ZINC000096056236 426392964 /nfs/dbraw/zinc/39/29/64/426392964.db2.gz BBPOAKGPXYBNCD-RYQLBKOJSA-N 2 1 320.502 2.989 40 0 DFABMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1 ZINC000012147138 425720698 /nfs/dbraw/zinc/72/06/98/425720698.db2.gz BYCKWOPIWFDPPA-UHFFFAOYSA-N 2 1 312.461 2.982 40 0 DFABMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1 ZINC000012147138 425720702 /nfs/dbraw/zinc/72/07/02/425720702.db2.gz BYCKWOPIWFDPPA-UHFFFAOYSA-N 2 1 312.461 2.982 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415784 426191901 /nfs/dbraw/zinc/19/19/01/426191901.db2.gz MAXBEYWPSYQWFY-KURKYZTESA-N 2 1 317.477 2.529 40 0 DFABMP Cn1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000096157439 426402357 /nfs/dbraw/zinc/40/23/57/426402357.db2.gz JZCFBTSOTCWHAW-UHFFFAOYSA-N 2 1 314.433 2.501 40 0 DFABMP Cn1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000096157439 426402362 /nfs/dbraw/zinc/40/23/62/426402362.db2.gz JZCFBTSOTCWHAW-UHFFFAOYSA-N 2 1 314.433 2.501 40 0 DFABMP CCn1nccc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195559952 426538790 /nfs/dbraw/zinc/53/87/90/426538790.db2.gz QFTVYFGYGIYQGL-IHPCNDPISA-N 2 1 324.472 2.903 40 0 DFABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CC1CC1)CC2 ZINC000247899802 426964100 /nfs/dbraw/zinc/96/41/00/426964100.db2.gz VTMAHEGPRUCXQG-KRWDZBQOSA-N 2 1 318.461 2.850 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415605 185170820 /nfs/dbraw/zinc/17/08/20/185170820.db2.gz GXQYMQSOVDRBTG-RYQLBKOJSA-N 2 1 317.477 2.672 40 0 DFABMP CC(C)C[C@H](C[NH3+])CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000585141558 398436022 /nfs/dbraw/zinc/43/60/22/398436022.db2.gz XHIWYSCXPHQACJ-ROUUACIJSA-N 2 1 318.461 2.815 40 0 DFABMP CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216587 257125663 /nfs/dbraw/zinc/12/56/63/257125663.db2.gz RNROYLRIJJUMSG-QGZVFWFLSA-N 2 1 302.466 2.770 40 0 DFABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1ccsc1)CC2 ZINC000096196840 426405664 /nfs/dbraw/zinc/40/56/64/426405664.db2.gz BMWILIJRVCEGBQ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096196840 426405667 /nfs/dbraw/zinc/40/56/67/426405667.db2.gz BMWILIJRVCEGBQ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000096196840 426405671 /nfs/dbraw/zinc/40/56/71/426405671.db2.gz BMWILIJRVCEGBQ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351644 426558266 /nfs/dbraw/zinc/55/82/66/426558266.db2.gz ZVWBFUVUIJMJET-STEAMIEHSA-N 2 1 322.493 2.805 40 0 DFABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CC1CC1)CC2 ZINC000247899806 426965258 /nfs/dbraw/zinc/96/52/58/426965258.db2.gz VTMAHEGPRUCXQG-QGZVFWFLSA-N 2 1 318.461 2.850 40 0 DFABMP Cc1[nH+]cc2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n21 ZINC000257214398 427312534 /nfs/dbraw/zinc/31/25/34/427312534.db2.gz CLVKCFVEZZWTSO-MRXNPFEDSA-N 2 1 307.401 2.812 40 0 DFABMP Cc1[nH+]cc2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n21 ZINC000257214398 427312538 /nfs/dbraw/zinc/31/25/38/427312538.db2.gz CLVKCFVEZZWTSO-MRXNPFEDSA-N 2 1 307.401 2.812 40 0 DFABMP Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257299439 203022189 /nfs/dbraw/zinc/02/21/89/203022189.db2.gz RQBZMHALXGKVHQ-ZDUSSCGKSA-N 2 1 302.447 2.902 40 0 DFABMP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000020264084 182201273 /nfs/dbraw/zinc/20/12/73/182201273.db2.gz ASIXXJPWMHNLIN-DZKIICNBSA-N 2 1 306.450 2.565 40 0 DFABMP CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216588 257124794 /nfs/dbraw/zinc/12/47/94/257124794.db2.gz RNROYLRIJJUMSG-KRWDZBQOSA-N 2 1 302.466 2.770 40 0 DFABMP CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216527 257125483 /nfs/dbraw/zinc/12/54/83/257125483.db2.gz WOKQHUKPOCBTBK-QGZVFWFLSA-N 2 1 302.466 2.770 40 0 DFABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056660 426392150 /nfs/dbraw/zinc/39/21/50/426392150.db2.gz DTNQTCQGPOCXDI-NXHRZFHOSA-N 2 1 306.425 2.755 40 0 DFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056660 426392153 /nfs/dbraw/zinc/39/21/53/426392153.db2.gz DTNQTCQGPOCXDI-NXHRZFHOSA-N 2 1 306.425 2.755 40 0 DFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056660 426392156 /nfs/dbraw/zinc/39/21/56/426392156.db2.gz DTNQTCQGPOCXDI-NXHRZFHOSA-N 2 1 306.425 2.755 40 0 DFABMP Cc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@H+](C)C(C)C)O[C@H]3C2)s1 ZINC000096056659 426392896 /nfs/dbraw/zinc/39/28/96/426392896.db2.gz PAEJLJMEZDGOAP-INMHGKMJSA-N 2 1 308.491 2.986 40 0 DFABMP Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)s1 ZINC000096056659 426392898 /nfs/dbraw/zinc/39/28/98/426392898.db2.gz PAEJLJMEZDGOAP-INMHGKMJSA-N 2 1 308.491 2.986 40 0 DFABMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)s1 ZINC000096056659 426392900 /nfs/dbraw/zinc/39/29/00/426392900.db2.gz PAEJLJMEZDGOAP-INMHGKMJSA-N 2 1 308.491 2.986 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccncc1)CC2 ZINC000096051763 426393293 /nfs/dbraw/zinc/39/32/93/426393293.db2.gz UZMWVFRNMJCXGL-SFHVURJKSA-N 2 1 317.477 2.793 40 0 DFABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cc(C)cc(C)c1)C2 ZINC000096217084 426408125 /nfs/dbraw/zinc/40/81/25/426408125.db2.gz NJJYSBFOOJLQPL-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cc(C)cc(C)c1)C2 ZINC000096217084 426408128 /nfs/dbraw/zinc/40/81/28/426408128.db2.gz NJJYSBFOOJLQPL-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC000096217084 426408131 /nfs/dbraw/zinc/40/81/31/426408131.db2.gz NJJYSBFOOJLQPL-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP C[NH+](C)C[C@@H]1CCC2(C[NH+](Cc3cccc4[nH]ccc43)C2)OC1 ZINC000248146980 426982883 /nfs/dbraw/zinc/98/28/83/426982883.db2.gz WCKGTYZJNQEWQL-HNNXBMFYSA-N 2 1 313.445 2.711 40 0 DFABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000019588436 277035621 /nfs/dbraw/zinc/03/56/21/277035621.db2.gz CILYVYARKBHGKC-UHFFFAOYSA-N 2 1 323.440 2.941 40 0 DFABMP Cc1cc(N2CC[NH+](C3CCCC3)CC2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000019739112 398408441 /nfs/dbraw/zinc/40/84/41/398408441.db2.gz YNNCCJVAGHJRSL-MRXNPFEDSA-N 2 1 314.477 2.532 40 0 DFABMP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000019760531 398408546 /nfs/dbraw/zinc/40/85/46/398408546.db2.gz BHJLRXXQKALMJV-INIZCTEOSA-N 2 1 317.481 2.955 40 0 DFABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000585104325 398433242 /nfs/dbraw/zinc/43/32/42/398433242.db2.gz YZJMZXXSJLUBGR-KRWDZBQOSA-N 2 1 306.494 2.999 40 0 DFABMP CC(C)[NH+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000084597263 426241071 /nfs/dbraw/zinc/24/10/71/426241071.db2.gz MXOAHEQCJGQNKK-QGZVFWFLSA-N 2 1 305.466 2.524 40 0 DFABMP C[NH+](C)C[C@H]1CCC2(C[NH+](Cc3cccc4[nH]ccc43)C2)OC1 ZINC000248146985 426983823 /nfs/dbraw/zinc/98/38/23/426983823.db2.gz WCKGTYZJNQEWQL-OAHLLOKOSA-N 2 1 313.445 2.711 40 0 DFABMP Cc1ncc2cncc([C@H]3CCC[N@@H+](Cc4cncs4)C3)n21 ZINC000257199698 427309537 /nfs/dbraw/zinc/30/95/37/427309537.db2.gz AANKKIGKIJMVIO-ZDUSSCGKSA-N 2 1 313.430 2.874 40 0 DFABMP Cc1[nH+]cc2cncc([C@H]3CCC[N@H+](Cc4cncs4)C3)n21 ZINC000257199698 427309546 /nfs/dbraw/zinc/30/95/46/427309546.db2.gz AANKKIGKIJMVIO-ZDUSSCGKSA-N 2 1 313.430 2.874 40 0 DFABMP COc1cccc(F)c1C[N@H+]1CC[C@H](c2nc(C)cn2C)C1 ZINC000257246929 427321401 /nfs/dbraw/zinc/32/14/01/427321401.db2.gz IWPSIYVDTAHPIR-ZDUSSCGKSA-N 2 1 303.381 2.866 40 0 DFABMP CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216525 257125576 /nfs/dbraw/zinc/12/55/76/257125576.db2.gz BZBXJFATXIPELZ-QGZVFWFLSA-N 2 1 302.466 2.626 40 0 DFABMP CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216543 257125591 /nfs/dbraw/zinc/12/55/91/257125591.db2.gz PWKWAVOUBYKNBM-KRWDZBQOSA-N 2 1 302.466 2.769 40 0 DFABMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CO[C@H]3C[N@H+](C)C(C)C)C2)n1 ZINC000096185260 426405132 /nfs/dbraw/zinc/40/51/32/426405132.db2.gz AGQIIPAFGUAVFK-QRQLOZEOSA-N 2 1 317.477 2.567 40 0 DFABMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+](C)C(C)C)C2)n1 ZINC000096185260 426405135 /nfs/dbraw/zinc/40/51/35/426405135.db2.gz AGQIIPAFGUAVFK-QRQLOZEOSA-N 2 1 317.477 2.567 40 0 DFABMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+](C)C(C)C)C2)n1 ZINC000096185260 426405136 /nfs/dbraw/zinc/40/51/36/426405136.db2.gz AGQIIPAFGUAVFK-QRQLOZEOSA-N 2 1 317.477 2.567 40 0 DFABMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC1)C2)C1CC1 ZINC000096220708 426409293 /nfs/dbraw/zinc/40/92/93/426409293.db2.gz ARNXPAPBUIQWMN-UYAOXDASSA-N 2 1 318.505 2.999 40 0 DFABMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC1)C2)C1CC1 ZINC000096220708 426409296 /nfs/dbraw/zinc/40/92/96/426409296.db2.gz ARNXPAPBUIQWMN-UYAOXDASSA-N 2 1 318.505 2.999 40 0 DFABMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC1)C2)C1CC1 ZINC000096220708 426409299 /nfs/dbraw/zinc/40/92/99/426409299.db2.gz ARNXPAPBUIQWMN-UYAOXDASSA-N 2 1 318.505 2.999 40 0 DFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)o1)C2 ZINC000096219991 426409498 /nfs/dbraw/zinc/40/94/98/426409498.db2.gz BEWHNSJLJLEYDI-MJGOQNOKSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)o1)C2 ZINC000096219991 426409501 /nfs/dbraw/zinc/40/95/01/426409501.db2.gz BEWHNSJLJLEYDI-MJGOQNOKSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096219991 426409504 /nfs/dbraw/zinc/40/95/04/426409504.db2.gz BEWHNSJLJLEYDI-MJGOQNOKSA-N 2 1 318.461 2.768 40 0 DFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096219991 426409507 /nfs/dbraw/zinc/40/95/07/426409507.db2.gz BEWHNSJLJLEYDI-MJGOQNOKSA-N 2 1 318.461 2.768 40 0 DFABMP c1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019372344 182121031 /nfs/dbraw/zinc/12/10/31/182121031.db2.gz YTFJFSPTDHVYOU-INIZCTEOSA-N 2 1 308.429 2.502 40 0 DFABMP c1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019372344 182121033 /nfs/dbraw/zinc/12/10/33/182121033.db2.gz YTFJFSPTDHVYOU-INIZCTEOSA-N 2 1 308.429 2.502 40 0 DFABMP Cc1cc(N2CCC([N@H+](C)C[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000084114400 542506082 /nfs/dbraw/zinc/50/60/82/542506082.db2.gz LBNACZNSTJWFLS-QGZVFWFLSA-N 2 1 318.465 2.563 40 0 DFABMP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000084114400 542506085 /nfs/dbraw/zinc/50/60/85/542506085.db2.gz LBNACZNSTJWFLS-QGZVFWFLSA-N 2 1 318.465 2.563 40 0 DFABMP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1 ZINC000096218602 256554518 /nfs/dbraw/zinc/55/45/18/256554518.db2.gz STGIOKDNLZSTJC-RTBURBONSA-N 2 1 302.462 2.989 40 0 DFABMP CC(C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158806 426403218 /nfs/dbraw/zinc/40/32/18/426403218.db2.gz GUVWQYVEIGCEER-UHFFFAOYSA-N 2 1 317.477 2.795 40 0 DFABMP CC(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158806 426403221 /nfs/dbraw/zinc/40/32/21/426403221.db2.gz GUVWQYVEIGCEER-UHFFFAOYSA-N 2 1 317.477 2.795 40 0 DFABMP CC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC000096240356 426411101 /nfs/dbraw/zinc/41/11/01/426411101.db2.gz KRJYXRKMYKYXCV-INIZCTEOSA-N 2 1 323.506 2.774 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000192741854 427599861 /nfs/dbraw/zinc/59/98/61/427599861.db2.gz CLCFFZZOXWEQEU-KRWDZBQOSA-N 2 1 305.466 2.833 40 0 DFABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103980 398432151 /nfs/dbraw/zinc/43/21/51/398432151.db2.gz VBAFNZYHHBYUOS-OAHLLOKOSA-N 2 1 308.491 2.847 40 0 DFABMP Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)CCC[NH+](C)C)[C@H]1O ZINC000585290074 398439484 /nfs/dbraw/zinc/43/94/84/398439484.db2.gz RMKCIFQPGFTCQG-QXAKKESOSA-N 2 1 320.477 2.539 40 0 DFABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C(C)C)CC2 ZINC000585104278 398433358 /nfs/dbraw/zinc/43/33/58/398433358.db2.gz XYNCVKPGGVYKCN-MRXNPFEDSA-N 2 1 306.450 2.848 40 0 DFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000019287925 182112517 /nfs/dbraw/zinc/11/25/17/182112517.db2.gz XFZIGYCQSMOXDO-INIZCTEOSA-N 2 1 313.445 2.822 40 0 DFABMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216541 257125133 /nfs/dbraw/zinc/12/51/33/257125133.db2.gz ARDCAJDZZRFHDR-KRWDZBQOSA-N 2 1 302.466 2.770 40 0 DFABMP CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216542 257125418 /nfs/dbraw/zinc/12/54/18/257125418.db2.gz PWKWAVOUBYKNBM-QGZVFWFLSA-N 2 1 302.466 2.769 40 0 DFABMP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096062412 426394270 /nfs/dbraw/zinc/39/42/70/426394270.db2.gz IDHQYFZUAFOSBC-QGZVFWFLSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096062412 426394272 /nfs/dbraw/zinc/39/42/72/426394272.db2.gz IDHQYFZUAFOSBC-QGZVFWFLSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096062412 426394274 /nfs/dbraw/zinc/39/42/74/426394274.db2.gz IDHQYFZUAFOSBC-QGZVFWFLSA-N 2 1 306.475 2.682 40 0 DFABMP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096062412 426394277 /nfs/dbraw/zinc/39/42/77/426394277.db2.gz IDHQYFZUAFOSBC-QGZVFWFLSA-N 2 1 306.475 2.682 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096216161 426407451 /nfs/dbraw/zinc/40/74/51/426407451.db2.gz UJJPBFMOPWSQCC-QGZVFWFLSA-N 2 1 306.425 2.758 40 0 DFABMP Cc1ncc2cncc([C@@H]3CCC[N@@H+](Cc4cncs4)C3)n21 ZINC000257199697 427311037 /nfs/dbraw/zinc/31/10/37/427311037.db2.gz AANKKIGKIJMVIO-CYBMUJFWSA-N 2 1 313.430 2.874 40 0 DFABMP Cc1[nH+]cc2cncc([C@@H]3CCC[N@H+](Cc4cncs4)C3)n21 ZINC000257199697 427311042 /nfs/dbraw/zinc/31/10/42/427311042.db2.gz AANKKIGKIJMVIO-CYBMUJFWSA-N 2 1 313.430 2.874 40 0 DFABMP COCC[N@@H+](C)CCCC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000195547728 399183589 /nfs/dbraw/zinc/18/35/89/399183589.db2.gz PBNSSDWVYKGACD-UHFFFAOYSA-N 2 1 300.563 2.934 40 0 DFABMP CC1CCC([NH+]2CCC([N@@H+](C)CCC3OCCO3)CC2)CC1 ZINC000195565931 399186359 /nfs/dbraw/zinc/18/63/59/399186359.db2.gz FRBQRUSAARURCQ-UHFFFAOYSA-N 2 1 310.482 2.724 40 0 DFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000019287926 182112891 /nfs/dbraw/zinc/11/28/91/182112891.db2.gz XFZIGYCQSMOXDO-MRXNPFEDSA-N 2 1 313.445 2.822 40 0 DFABMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188685 425721486 /nfs/dbraw/zinc/72/14/86/425721486.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 2 1 315.505 2.782 40 0 DFABMP CN(C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012188685 425721490 /nfs/dbraw/zinc/72/14/90/425721490.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 2 1 315.505 2.782 40 0 DFABMP CN(C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012188685 425721492 /nfs/dbraw/zinc/72/14/92/425721492.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 2 1 315.505 2.782 40 0 DFABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415791 426191638 /nfs/dbraw/zinc/19/16/38/426191638.db2.gz MAXBEYWPSYQWFY-KSZLIROESA-N 2 1 317.477 2.529 40 0 DFABMP Cc1cccc(C[NH+]2CC[C@H]3CO[C@H](C[N@H+](C)C(C)C)[C@H]3C2)n1 ZINC000096185408 426404134 /nfs/dbraw/zinc/40/41/34/426404134.db2.gz XLKJSTJRXHYYTC-YTQUADARSA-N 2 1 317.477 2.567 40 0 DFABMP Cc1cccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC000096185408 426404138 /nfs/dbraw/zinc/40/41/38/426404138.db2.gz XLKJSTJRXHYYTC-YTQUADARSA-N 2 1 317.477 2.567 40 0 DFABMP Cc1cccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC000096185408 426404139 /nfs/dbraw/zinc/40/41/39/426404139.db2.gz XLKJSTJRXHYYTC-YTQUADARSA-N 2 1 317.477 2.567 40 0 DFABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048064 426391452 /nfs/dbraw/zinc/39/14/52/426391452.db2.gz VBBMFXBSAVLGRX-GOSISDBHSA-N 2 1 315.461 2.547 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096216162 426408107 /nfs/dbraw/zinc/40/81/07/426408107.db2.gz UJJPBFMOPWSQCC-KRWDZBQOSA-N 2 1 306.425 2.758 40 0 DFABMP CC[N@H+](C)[C@@H]1COC2(C1)CC[NH+](Cc1csc(C)n1)CC2 ZINC000096220797 426409819 /nfs/dbraw/zinc/40/98/19/426409819.db2.gz NWMSHBOZLMHJEX-HNNXBMFYSA-N 2 1 309.479 2.527 40 0 DFABMP CC[N@@H+](C)[C@@H]1COC2(C1)CC[NH+](Cc1csc(C)n1)CC2 ZINC000096220797 426409820 /nfs/dbraw/zinc/40/98/20/426409820.db2.gz NWMSHBOZLMHJEX-HNNXBMFYSA-N 2 1 309.479 2.527 40 0 DFABMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC1)C2)C1CC1 ZINC000096219359 426409846 /nfs/dbraw/zinc/40/98/46/426409846.db2.gz ARNXPAPBUIQWMN-AZUAARDMSA-N 2 1 318.505 2.999 40 0 DFABMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC1)C2)C1CC1 ZINC000096219359 426409848 /nfs/dbraw/zinc/40/98/48/426409848.db2.gz ARNXPAPBUIQWMN-AZUAARDMSA-N 2 1 318.505 2.999 40 0 DFABMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC1)C2)C1CC1 ZINC000096219359 426409850 /nfs/dbraw/zinc/40/98/50/426409850.db2.gz ARNXPAPBUIQWMN-AZUAARDMSA-N 2 1 318.505 2.999 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccco1)CC2 ZINC000096240295 426410655 /nfs/dbraw/zinc/41/06/55/426410655.db2.gz MBECSYASAYUEAR-MRXNPFEDSA-N 2 1 306.450 2.991 40 0 DFABMP Cn1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCCC4)[C@H]3C2)cn1 ZINC000096251702 426411028 /nfs/dbraw/zinc/41/10/28/426411028.db2.gz UZMGWIKBBRGEJN-UFYCRDLUSA-N 2 1 322.456 2.786 40 0 DFABMP Cn1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCCC4)[C@H]3C2)cn1 ZINC000096251702 426411030 /nfs/dbraw/zinc/41/10/30/426411030.db2.gz UZMGWIKBBRGEJN-UFYCRDLUSA-N 2 1 322.456 2.786 40 0 DFABMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000195545549 426539346 /nfs/dbraw/zinc/53/93/46/426539346.db2.gz YDMLKFFQWJASGX-IPJQOSJUSA-N 2 1 310.388 2.603 40 0 DFABMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000195545549 426539351 /nfs/dbraw/zinc/53/93/51/426539351.db2.gz YDMLKFFQWJASGX-IPJQOSJUSA-N 2 1 310.388 2.603 40 0 DFABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351737 426557939 /nfs/dbraw/zinc/55/79/39/426557939.db2.gz ZVWBFUVUIJMJET-LNMJFAINSA-N 2 1 322.493 2.805 40 0 DFABMP Cc1ccsc1CN1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257200924 427311495 /nfs/dbraw/zinc/31/14/95/427311495.db2.gz AFJCFTGELZREOQ-OAHLLOKOSA-N 2 1 303.431 2.916 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC000192746459 427602364 /nfs/dbraw/zinc/60/23/64/427602364.db2.gz MPQBBHLRDZVZOG-GOSISDBHSA-N 2 1 315.505 2.849 40 0 DFABMP Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)CCC[NH+](C)C)[C@H]2O)c1 ZINC000585290019 398439412 /nfs/dbraw/zinc/43/94/12/398439412.db2.gz ZCENKBIMRRAVQA-IPMKNSEASA-N 2 1 320.477 2.539 40 0 DFABMP c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019372346 182120977 /nfs/dbraw/zinc/12/09/77/182120977.db2.gz YTFJFSPTDHVYOU-MRXNPFEDSA-N 2 1 308.429 2.502 40 0 DFABMP c1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019372346 182120978 /nfs/dbraw/zinc/12/09/78/182120978.db2.gz YTFJFSPTDHVYOU-MRXNPFEDSA-N 2 1 308.429 2.502 40 0 DFABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C1 ZINC000030946687 182602347 /nfs/dbraw/zinc/60/23/47/182602347.db2.gz ZFKLZPWDISNZDG-MRXNPFEDSA-N 2 1 317.477 2.600 40 0 DFABMP CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216307 257125117 /nfs/dbraw/zinc/12/51/17/257125117.db2.gz NEDLFJVZSIFYRZ-KRWDZBQOSA-N 2 1 302.466 2.818 40 0 DFABMP Cn1cccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157554 426401247 /nfs/dbraw/zinc/40/12/47/426401247.db2.gz MBTIVEPUZXIEBE-UHFFFAOYSA-N 2 1 324.472 2.908 40 0 DFABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cccs1)CC2 ZINC000096196839 426406001 /nfs/dbraw/zinc/40/60/01/426406001.db2.gz YXBCQVVMGJNXBJ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096196839 426406002 /nfs/dbraw/zinc/40/60/02/426406002.db2.gz YXBCQVVMGJNXBJ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000096196839 426406004 /nfs/dbraw/zinc/40/60/04/426406004.db2.gz YXBCQVVMGJNXBJ-UHFFFAOYSA-N 2 1 318.490 2.843 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096208142 426407562 /nfs/dbraw/zinc/40/75/62/426407562.db2.gz SUEYMKVBDXJKTH-KRWDZBQOSA-N 2 1 318.461 2.628 40 0 DFABMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000195571580 323284359 /nfs/dbraw/zinc/28/43/59/323284359.db2.gz STQRGHGRXRYHLJ-WOJBJXKFSA-N 2 1 315.505 2.940 40 0 DFABMP CC(C)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404525 185169628 /nfs/dbraw/zinc/16/96/28/185169628.db2.gz YIQASBBKTYHADB-FUHWJXTLSA-N 2 1 317.477 2.625 40 0 DFABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102680 398431986 /nfs/dbraw/zinc/43/19/86/398431986.db2.gz ASEYJEHJWZKKHG-MRXNPFEDSA-N 2 1 318.461 2.993 40 0 DFABMP c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216332 257124981 /nfs/dbraw/zinc/12/49/81/257124981.db2.gz AAWWVCMRDLGASW-IBGZPJMESA-N 2 1 322.456 2.828 40 0 DFABMP CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216304 257125096 /nfs/dbraw/zinc/12/50/96/257125096.db2.gz VEVQOOWIVHKYOP-QGZVFWFLSA-N 2 1 302.466 2.674 40 0 DFABMP CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216586 257125513 /nfs/dbraw/zinc/12/55/13/257125513.db2.gz VQFVALZGIJGCHU-KRWDZBQOSA-N 2 1 302.466 2.626 40 0 DFABMP CC[NH+](CC)CCC[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000012706438 425735011 /nfs/dbraw/zinc/73/50/11/425735011.db2.gz LFZIDZCPOVQUJT-UHFFFAOYSA-N 2 1 301.434 2.658 40 0 DFABMP CN1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185583 426405111 /nfs/dbraw/zinc/40/51/11/426405111.db2.gz UWLYFQSSFJALSZ-RYRKJORJSA-N 2 1 319.518 2.739 40 0 DFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccccn1)CC2 ZINC000096051760 426392317 /nfs/dbraw/zinc/39/23/17/426392317.db2.gz FVPBGHZGZPHIDJ-GOSISDBHSA-N 2 1 317.477 2.793 40 0 DFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096220683 426409786 /nfs/dbraw/zinc/40/97/86/426409786.db2.gz CSRLSCROBUHBIW-AEFFLSMTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096220683 426409788 /nfs/dbraw/zinc/40/97/88/426409788.db2.gz CSRLSCROBUHBIW-AEFFLSMTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096220683 426409792 /nfs/dbraw/zinc/40/97/92/426409792.db2.gz CSRLSCROBUHBIW-AEFFLSMTSA-N 2 1 320.502 2.928 40 0 DFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096220683 426409794 /nfs/dbraw/zinc/40/97/94/426409794.db2.gz CSRLSCROBUHBIW-AEFFLSMTSA-N 2 1 320.502 2.928 40 0 DFABMP COc1cccc(F)c1C[N@H+]1CC[C@@H](c2nc(C)cn2C)C1 ZINC000257246928 427320061 /nfs/dbraw/zinc/32/00/61/427320061.db2.gz IWPSIYVDTAHPIR-CYBMUJFWSA-N 2 1 303.381 2.866 40 0 DFABMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188688 425721832 /nfs/dbraw/zinc/72/18/32/425721832.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 2 1 315.505 2.782 40 0 DFABMP CN(C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012188688 425721837 /nfs/dbraw/zinc/72/18/37/425721837.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 2 1 315.505 2.782 40 0 DFABMP CN(C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012188688 425721840 /nfs/dbraw/zinc/72/18/40/425721840.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 2 1 315.505 2.782 40 0 DFABMP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)C[C@@H]([NH+](C)C)CCO3)c1 ZINC000096110904 426398605 /nfs/dbraw/zinc/39/86/05/426398605.db2.gz STGIOKDNLZSTJC-RBUKOAKNSA-N 2 1 302.462 2.989 40 0 DFABMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C(C)C)CC3)C2)c1 ZINC000096158871 426403756 /nfs/dbraw/zinc/40/37/56/426403756.db2.gz IEUDHKBPXANFAT-UHFFFAOYSA-N 2 1 318.461 2.770 40 0 DFABMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C(C)C)CC3)C2)c1 ZINC000096158871 426403757 /nfs/dbraw/zinc/40/37/57/426403757.db2.gz IEUDHKBPXANFAT-UHFFFAOYSA-N 2 1 318.461 2.770 40 0 DFABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3C)C2)s1 ZINC000096185549 426404108 /nfs/dbraw/zinc/40/41/08/426404108.db2.gz GVTJXXQWPRMGAI-VYDXJSESSA-N 2 1 307.507 2.513 40 0 DFABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048090 426391516 /nfs/dbraw/zinc/39/15/16/426391516.db2.gz FPHIRMCLRVTPBN-GOSISDBHSA-N 2 1 315.461 2.547 40 0 DFABMP c1cc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)cs1 ZINC000096207925 426408458 /nfs/dbraw/zinc/40/84/58/426408458.db2.gz XWYAQYSNFXUOLD-IAGOWNOFSA-N 2 1 306.475 2.967 40 0 DFABMP c1csc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)c1 ZINC000096206889 426407102 /nfs/dbraw/zinc/40/71/02/426407102.db2.gz VMTNBMPNDXIXFD-NVXWUHKLSA-N 2 1 306.475 2.967 40 0 DFABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079415601 185170707 /nfs/dbraw/zinc/17/07/07/185170707.db2.gz GXQYMQSOVDRBTG-CGTJXYLNSA-N 2 1 317.477 2.672 40 0 DFABMP C[NH+](C)CC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306129579 231086488 /nfs/dbraw/zinc/08/64/88/231086488.db2.gz IHFIOJFRUKVTSU-QGZVFWFLSA-N 2 1 323.444 2.873 40 0 DFABMP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306129579 231086490 /nfs/dbraw/zinc/08/64/90/231086490.db2.gz IHFIOJFRUKVTSU-QGZVFWFLSA-N 2 1 323.444 2.873 40 0 DFABMP CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216603 257125187 /nfs/dbraw/zinc/12/51/87/257125187.db2.gz VGBDJSYSOXRUHZ-KRWDZBQOSA-N 2 1 302.466 2.769 40 0 DFABMP Fc1cccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCOC4)C3)CC2)c1 ZINC000107190969 425985443 /nfs/dbraw/zinc/98/54/43/425985443.db2.gz PMMWUCMUDDRCDZ-SFHVURJKSA-N 2 1 318.436 2.903 40 0 DFABMP FC(F)(F)CC[N@H+]1C[C@H]2CCC[C@@H](C[NH+]3CCOCC3)[C@H]2C1 ZINC000096081885 426396826 /nfs/dbraw/zinc/39/68/26/426396826.db2.gz VWLBORCRMBSXQK-RRFJBIMHSA-N 2 1 320.399 2.619 40 0 DFABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048065 426390349 /nfs/dbraw/zinc/39/03/49/426390349.db2.gz VBBMFXBSAVLGRX-SFHVURJKSA-N 2 1 315.461 2.547 40 0 DFABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096047993 426391257 /nfs/dbraw/zinc/39/12/57/426391257.db2.gz FRPSPZADSIBYBL-SFHVURJKSA-N 2 1 315.461 2.547 40 0 DFABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048028 426391355 /nfs/dbraw/zinc/39/13/55/426391355.db2.gz PHTMCZPSZQSKRD-MRXNPFEDSA-N 2 1 304.434 2.745 40 0 DFABMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000195545551 426539316 /nfs/dbraw/zinc/53/93/16/426539316.db2.gz YDMLKFFQWJASGX-APNQJHFZSA-N 2 1 310.388 2.603 40 0 DFABMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000195545551 426539320 /nfs/dbraw/zinc/53/93/20/426539320.db2.gz YDMLKFFQWJASGX-APNQJHFZSA-N 2 1 310.388 2.603 40 0 DFABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102678 398432629 /nfs/dbraw/zinc/43/26/29/398432629.db2.gz ASEYJEHJWZKKHG-INIZCTEOSA-N 2 1 318.461 2.993 40 0 DFABMP Cn1nc(C2CC[NH2+]CC2)cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000019710203 182137771 /nfs/dbraw/zinc/13/77/71/182137771.db2.gz ZMYNTNHEFUVESX-UHFFFAOYSA-N 2 1 316.424 2.658 40 0 DFABMP Cn1nc(C2CC[NH2+]CC2)cc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000019710203 182137773 /nfs/dbraw/zinc/13/77/73/182137773.db2.gz ZMYNTNHEFUVESX-UHFFFAOYSA-N 2 1 316.424 2.658 40 0 DFABMP CC(C)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404519 426191883 /nfs/dbraw/zinc/19/18/83/426191883.db2.gz YIQASBBKTYHADB-WMZOPIPTSA-N 2 1 317.477 2.625 40 0 DFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccco1)CC2 ZINC000096240296 426411537 /nfs/dbraw/zinc/41/15/37/426411537.db2.gz MBECSYASAYUEAR-INIZCTEOSA-N 2 1 306.450 2.991 40 0 DFABMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccncc2)C1 ZINC000225732058 426609997 /nfs/dbraw/zinc/60/99/97/426609997.db2.gz MCQJSASLPMSNIZ-OKILXGFUSA-N 2 1 306.479 2.736 40 0 DFABMP C[NH+](C)CC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306140587 231090616 /nfs/dbraw/zinc/09/06/16/231090616.db2.gz UXXIVSQCVSSPDK-MRXNPFEDSA-N 2 1 323.444 2.873 40 0 DFABMP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306140587 231090620 /nfs/dbraw/zinc/09/06/20/231090620.db2.gz UXXIVSQCVSSPDK-MRXNPFEDSA-N 2 1 323.444 2.873 40 0 DFABMP Cc1ccc(C)c(C[NH+]2CC3(C2)OCC[C@H]3CC[NH+](C)C)c1 ZINC000248127860 202722049 /nfs/dbraw/zinc/72/20/49/202722049.db2.gz PJZONRJRBIYMLB-GOSISDBHSA-N 2 1 302.462 2.846 40 0 DFABMP CCc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+](CC)CC)cc2c1 ZINC000012706434 181789324 /nfs/dbraw/zinc/78/93/24/181789324.db2.gz YLLPBIMBIVIANS-UHFFFAOYSA-N 2 1 315.461 2.912 40 0 DFABMP CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216305 257125244 /nfs/dbraw/zinc/12/52/44/257125244.db2.gz VEVQOOWIVHKYOP-KRWDZBQOSA-N 2 1 302.466 2.674 40 0 DFABMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000084706180 426243526 /nfs/dbraw/zinc/24/35/26/426243526.db2.gz VMAKQSFRXXHOQP-CALCHBBNSA-N 2 1 317.477 2.793 40 0 DFABMP CC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC000096240355 426411608 /nfs/dbraw/zinc/41/16/08/426411608.db2.gz KRJYXRKMYKYXCV-MRXNPFEDSA-N 2 1 323.506 2.774 40 0 DFABMP C[C@H]1c2ccsc2CC[N@@H+]1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000019498345 182125673 /nfs/dbraw/zinc/12/56/73/182125673.db2.gz JSFNGVKTERVXQG-HNNXBMFYSA-N 2 1 321.534 2.941 40 0 DFABMP CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216306 257125169 /nfs/dbraw/zinc/12/51/69/257125169.db2.gz NEDLFJVZSIFYRZ-QGZVFWFLSA-N 2 1 302.466 2.818 40 0 DFABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2 ZINC000096209624 426407416 /nfs/dbraw/zinc/40/74/16/426407416.db2.gz GGODBWVYBVKKIA-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cc(C)ccc1C)C2 ZINC000096209624 426407420 /nfs/dbraw/zinc/40/74/20/426407420.db2.gz GGODBWVYBVKKIA-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC000096209624 426407424 /nfs/dbraw/zinc/40/74/24/426407424.db2.gz GGODBWVYBVKKIA-RTBURBONSA-N 2 1 302.462 2.704 40 0 DFABMP CC[N@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3sccc3C)C2)C1 ZINC000096220080 426409233 /nfs/dbraw/zinc/40/92/33/426409233.db2.gz OZGPMADUMVFMDR-DOTOQJQBSA-N 2 1 308.491 2.847 40 0 DFABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@H+](Cc3sccc3C)C2)C1 ZINC000096220080 426409236 /nfs/dbraw/zinc/40/92/36/426409236.db2.gz OZGPMADUMVFMDR-DOTOQJQBSA-N 2 1 308.491 2.847 40 0 DFABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@@H+](Cc3sccc3C)C2)C1 ZINC000096220080 426409240 /nfs/dbraw/zinc/40/92/40/426409240.db2.gz OZGPMADUMVFMDR-DOTOQJQBSA-N 2 1 308.491 2.847 40 0 DFABMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000096484352 426434528 /nfs/dbraw/zinc/43/45/28/426434528.db2.gz YDMLKFFQWJASGX-ZFRZLUBXSA-N 2 1 310.388 2.603 40 0 DFABMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000096484352 426434530 /nfs/dbraw/zinc/43/45/30/426434530.db2.gz YDMLKFFQWJASGX-ZFRZLUBXSA-N 2 1 310.388 2.603 40 0 DFABMP CCOC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@@H+]1C ZINC000096207001 426407168 /nfs/dbraw/zinc/40/71/68/426407168.db2.gz ZFDBFUZZEGRUJV-QGZVFWFLSA-N 2 1 303.450 2.547 40 0 DFABMP CCOC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)[N@H+]1C ZINC000096207001 426407169 /nfs/dbraw/zinc/40/71/69/426407169.db2.gz ZFDBFUZZEGRUJV-QGZVFWFLSA-N 2 1 303.450 2.547 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000192741842 427597771 /nfs/dbraw/zinc/59/77/71/427597771.db2.gz CLCFFZZOXWEQEU-QGZVFWFLSA-N 2 1 305.466 2.833 40 0 DFABMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCc3ccccc3C2)CC1 ZINC000192736862 427598246 /nfs/dbraw/zinc/59/82/46/427598246.db2.gz DYRSOXIMOIXGEG-UHFFFAOYSA-N 2 1 315.505 2.851 40 0 DFABMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](O)[C@H](C[NH+]2CCCCCC2)C1 ZINC000005699191 277195303 /nfs/dbraw/zinc/19/53/03/277195303.db2.gz KLSHAXBXEWJRGO-FHWLQOOXSA-N 2 1 302.462 2.569 40 0 DFABMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](O)[C@H](C[NH+]2CCCCCC2)C1 ZINC000005699191 277195306 /nfs/dbraw/zinc/19/53/06/277195306.db2.gz KLSHAXBXEWJRGO-FHWLQOOXSA-N 2 1 302.462 2.569 40 0 DFABMP