smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(CC[NH+]3CCN(c4ccccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000000593384 558828135 /nfs/dbraw/zinc/82/81/35/558828135.db2.gz NIDVDYQCGWISJZ-UHFFFAOYSA-N 1 1 402.886 0.909 50 0 in-vitro HCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000633613 557028520 /nfs/dbraw/zinc/02/85/20/557028520.db2.gz JJSFGXVYIIOXLG-UHFFFAOYSA-N 1 1 402.886 0.887 50 0 HCAAMO CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[N@@H+](C)C1 ZINC000002017346 569364134 /nfs/dbraw/zinc/36/41/34/569364134.db2.gz KDLRVYVGXIQJDK-YHGLQUMISA-N 1 1 424.991 0.390 50 0 HCAAMO Cc1nnc(SCCn2c(N3CC[NH+](C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000002224915 569313624 /nfs/dbraw/zinc/31/36/24/569313624.db2.gz XSZIZDIJWBBZSA-UHFFFAOYSA-N 1 1 422.540 0.127 50 0 HCAAMO Cc1ccnc(SCCn2c(N3CC[NH+](C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000002229108 569317484 /nfs/dbraw/zinc/31/74/84/569317484.db2.gz WRIVVFYTWUVFME-UHFFFAOYSA-N 1 1 416.511 0.066 50 0 HCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(CCCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000002345217 569376640 /nfs/dbraw/zinc/37/66/40/569376640.db2.gz KMHLYRJSKVIOFC-UHFFFAOYSA-N 1 1 416.511 0.148 50 0 HCAAMO CC[N@H+]1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000002364452 569387515 /nfs/dbraw/zinc/38/75/15/569387515.db2.gz GNAMYXBMMCDOOM-QGZVFWFLSA-N 1 1 413.478 0.748 50 0 HCAAMO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC1 ZINC000002437647 569399843 /nfs/dbraw/zinc/39/98/43/569399843.db2.gz KAVDZBIIWHBLLK-UHFFFAOYSA-N 1 1 410.478 0.459 50 0 HCAAMO COCCN(C(=O)C[NH+]1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003352851 568886018 /nfs/dbraw/zinc/88/60/18/568886018.db2.gz RGPPEDRGFMJNJL-UHFFFAOYSA-N 1 1 401.467 0.242 50 0 HCAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004005097 291182140 /nfs/dbraw/zinc/18/21/40/291182140.db2.gz FTKSKOOPDXTDCR-RDJZCZTQSA-N 1 1 422.489 0.577 50 0 aggregator HCAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004005098 568932997 /nfs/dbraw/zinc/93/29/97/568932997.db2.gz FTKSKOOPDXTDCR-WBVHZDCISA-N 1 1 422.489 0.577 50 0 aggregator HCAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C12CC4CC(CC(C4)C1)C2)=[NH+]N3CCO ZINC000004284932 560198234 /nfs/dbraw/zinc/19/82/34/560198234.db2.gz GQAXLRYUMUNPLB-UHFFFAOYSA-N 1 1 412.494 0.818 50 0 biogenic,in-vitro HCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(CCCOc3ccccc3)c2c(=O)n(C)c1=O ZINC000004317978 568962876 /nfs/dbraw/zinc/96/28/76/568962876.db2.gz CXPUJCIINPGOTA-UHFFFAOYSA-N 1 1 412.494 0.655 50 0 HCAAMO CCC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[N@@H+](C)C1 ZINC000004486513 569364600 /nfs/dbraw/zinc/36/46/00/569364600.db2.gz KDLRVYVGXIQJDK-YVLCLDHESA-N 1 1 424.991 0.390 50 0 HCAAMO Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCC[NH+](C)C)c2ccco2)cc1 ZINC000004519005 558648376 /nfs/dbraw/zinc/64/83/76/558648376.db2.gz UWVRCRZGSFKPOZ-KRWDZBQOSA-N 1 1 407.492 0.897 50 0 HCAAMO Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCC[NH+](C)C)c2ccco2)cc1 ZINC000004519006 558648331 /nfs/dbraw/zinc/64/83/31/558648331.db2.gz UWVRCRZGSFKPOZ-QGZVFWFLSA-N 1 1 407.492 0.897 50 0 HCAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000004519186 558632892 /nfs/dbraw/zinc/63/28/92/558632892.db2.gz YWLSIEWBYPFDQZ-INIZCTEOSA-N 1 1 411.455 0.728 50 0 HCAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000004519187 558632800 /nfs/dbraw/zinc/63/28/00/558632800.db2.gz YWLSIEWBYPFDQZ-MRXNPFEDSA-N 1 1 411.455 0.728 50 0 HCAAMO COCCn1c(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004802756 568420813 /nfs/dbraw/zinc/42/08/13/568420813.db2.gz VOKJHESUNAVGAA-RMKNXTFCSA-N 1 1 424.505 0.905 50 0 HCAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004903189 557611607 /nfs/dbraw/zinc/61/16/07/557611607.db2.gz OZSLNWKVBRONGY-KRWDZBQOSA-N 1 1 407.492 0.825 50 0 HCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000004950181 559214976 /nfs/dbraw/zinc/21/49/76/559214976.db2.gz WJVKEEVFXBMYPS-UHFFFAOYSA-N 1 1 402.886 0.887 50 0 biogenic HCAAMO Cn1c2ccc(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)cc2n(C)c(=O)c1=O ZINC000005026241 559230343 /nfs/dbraw/zinc/23/03/43/559230343.db2.gz AOPZDJGORGWWGY-UHFFFAOYSA-N 1 1 416.503 0.648 50 0 HCAAMO Cn1c2ccc(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)cc2n(C)c(=O)c1=O ZINC000005026241 559230342 /nfs/dbraw/zinc/23/03/42/559230342.db2.gz AOPZDJGORGWWGY-UHFFFAOYSA-N 1 1 416.503 0.648 50 0 HCAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000005126026 559248375 /nfs/dbraw/zinc/24/83/75/559248375.db2.gz KVNPKLQFSJNNNR-UHFFFAOYSA-N 1 1 402.886 0.887 50 0 biogenic HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000005345741 560570037 /nfs/dbraw/zinc/57/00/37/560570037.db2.gz SONQNSLMKKPGAD-FIUHSTACSA-N 1 1 404.854 0.734 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000005350737 560568890 /nfs/dbraw/zinc/56/88/90/560568890.db2.gz HHTCIHQHRFGUNL-WETDYZOZSA-N 1 1 404.854 0.734 50 0 HCAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000005490809 560597431 /nfs/dbraw/zinc/59/74/31/560597431.db2.gz FTKSKOOPDXTDCR-DOTOQJQBSA-N 1 1 422.489 0.577 50 0 aggregator HCAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000005901606 568828963 /nfs/dbraw/zinc/82/89/63/568828963.db2.gz WQUPQTRMVXNIPB-MRXNPFEDSA-N 1 1 418.542 0.530 50 0 HCAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000005901606 568828961 /nfs/dbraw/zinc/82/89/61/568828961.db2.gz WQUPQTRMVXNIPB-MRXNPFEDSA-N 1 1 418.542 0.530 50 0 HCAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000005902091 568828926 /nfs/dbraw/zinc/82/89/26/568828926.db2.gz WQUPQTRMVXNIPB-INIZCTEOSA-N 1 1 418.542 0.530 50 0 HCAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000005902091 568828924 /nfs/dbraw/zinc/82/89/24/568828924.db2.gz WQUPQTRMVXNIPB-INIZCTEOSA-N 1 1 418.542 0.530 50 0 HCAAMO CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894328 569175686 /nfs/dbraw/zinc/17/56/86/569175686.db2.gz BSANTWBCWZGQAN-QGZVFWFLSA-N 1 1 404.577 0.514 50 0 HCAAMO CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894329 569175719 /nfs/dbraw/zinc/17/57/19/569175719.db2.gz BSANTWBCWZGQAN-KRWDZBQOSA-N 1 1 404.577 0.514 50 0 HCAAMO Cn1c2c(nc1N1CC[NH+](C)CC1)n(C)c(=O)n(Cc1ccc(Cl)cc1)c2=O ZINC000007425814 569238269 /nfs/dbraw/zinc/23/82/69/569238269.db2.gz TWALEHBDRYKERG-UHFFFAOYSA-N 1 1 402.886 0.887 50 0 HCAAMO Cn1c2ncn(CCCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000008278657 568987088 /nfs/dbraw/zinc/98/70/88/568987088.db2.gz MIFGCGIIGYYKCY-QGZVFWFLSA-N 1 1 424.505 0.605 50 0 HCAAMO Cn1c2ncn(CCCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000008278664 568987159 /nfs/dbraw/zinc/98/71/59/568987159.db2.gz MIFGCGIIGYYKCY-KRWDZBQOSA-N 1 1 424.505 0.605 50 0 HCAAMO c1cnc(N2CCN(c3cc[nH+]c(N4CCN(c5ncccn5)CC4)n3)CC2)nc1 ZINC000008327400 568992143 /nfs/dbraw/zinc/99/21/43/568992143.db2.gz DGPONQSDNIYXEH-UHFFFAOYSA-N 1 1 404.482 0.710 50 0 HCAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000008389221 568996547 /nfs/dbraw/zinc/99/65/47/568996547.db2.gz NECYEGQJRDXTSQ-GJZGRUSLSA-N 1 1 408.524 0.995 50 0 HCAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000008389221 568996545 /nfs/dbraw/zinc/99/65/45/568996545.db2.gz NECYEGQJRDXTSQ-GJZGRUSLSA-N 1 1 408.524 0.995 50 0 HCAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000008389223 568996600 /nfs/dbraw/zinc/99/66/00/568996600.db2.gz NECYEGQJRDXTSQ-CABCVRRESA-N 1 1 408.524 0.995 50 0 HCAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000008389223 568996599 /nfs/dbraw/zinc/99/65/99/568996599.db2.gz NECYEGQJRDXTSQ-CABCVRRESA-N 1 1 408.524 0.995 50 0 HCAAMO COC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000008471181 571053180 /nfs/dbraw/zinc/05/31/80/571053180.db2.gz VKQCDOBTAGQQKZ-INIZCTEOSA-N 1 1 423.535 0.793 50 0 HCAAMO COC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000008471183 571053192 /nfs/dbraw/zinc/05/31/92/571053192.db2.gz VKQCDOBTAGQQKZ-MRXNPFEDSA-N 1 1 423.535 0.793 50 0 HCAAMO CC1=[NH+]N(CC(N)=O)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2C1 ZINC000009419266 571256602 /nfs/dbraw/zinc/25/66/02/571256602.db2.gz SFQFEHGMZPPWIA-RMKNXTFCSA-N 1 1 407.434 0.291 50 0 HCAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000009441974 571259170 /nfs/dbraw/zinc/25/91/70/571259170.db2.gz SGFSFZXEQPFIEN-HNNXBMFYSA-N 1 1 423.944 0.696 50 0 HCAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@]2(C)CCS(=O)(=O)C2)c1 ZINC000009441975 571259238 /nfs/dbraw/zinc/25/92/38/571259238.db2.gz SGFSFZXEQPFIEN-OAHLLOKOSA-N 1 1 423.944 0.696 50 0 HCAAMO CC(C)[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000009482295 557843925 /nfs/dbraw/zinc/84/39/25/557843925.db2.gz OBLBTPWXAKAVGI-QGZVFWFLSA-N 1 1 400.483 0.130 50 0 HCAAMO CC(C)[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000009482299 557843885 /nfs/dbraw/zinc/84/38/85/557843885.db2.gz OBLBTPWXAKAVGI-KRWDZBQOSA-N 1 1 400.483 0.130 50 0 HCAAMO COc1ccc(CCNC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC ZINC000009660760 571277385 /nfs/dbraw/zinc/27/73/85/571277385.db2.gz BWCHBSGTWGGVKG-UHFFFAOYSA-N 1 1 404.467 0.379 50 0 HCAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCOCC1 ZINC000009660782 571277394 /nfs/dbraw/zinc/27/73/94/571277394.db2.gz FAUMWVDFIJQWFB-UHFFFAOYSA-N 1 1 404.442 0.571 50 0 HCAAMO Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000009660790 571277363 /nfs/dbraw/zinc/27/73/63/571277363.db2.gz GELNYBTZQYWUGZ-UHFFFAOYSA-N 1 1 400.479 0.740 50 0 HCAAMO COC(=O)[C@@H](NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21)C(C)C ZINC000009743549 132343235 /nfs/dbraw/zinc/34/32/35/132343235.db2.gz RZGMJYWLBGEGAY-SFHVURJKSA-N 1 1 403.487 0.123 50 0 HCAAMO COC(=O)[C@H](NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21)C(C)C ZINC000009743553 132343214 /nfs/dbraw/zinc/34/32/14/132343214.db2.gz RZGMJYWLBGEGAY-GOSISDBHSA-N 1 1 403.487 0.123 50 0 HCAAMO CC1=[NH+]N(CCN2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108816 557855005 /nfs/dbraw/zinc/85/50/05/557855005.db2.gz CIILCYGTYWSGAV-UHFFFAOYSA-N 1 1 407.478 0.688 50 0 HCAAMO CC1=NN(CC[N@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108816 557855000 /nfs/dbraw/zinc/85/50/00/557855000.db2.gz CIILCYGTYWSGAV-UHFFFAOYSA-N 1 1 407.478 0.688 50 0 HCAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCC2(CC1)OCCO2)Nc1ccccc1 ZINC000010157500 571295576 /nfs/dbraw/zinc/29/55/76/571295576.db2.gz UZVUQBDQIQPXPN-QGZVFWFLSA-N 1 1 416.478 0.181 50 0 HCAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCC2(CC1)OCCO2)Nc1ccccc1 ZINC000010157501 571295569 /nfs/dbraw/zinc/29/55/69/571295569.db2.gz UZVUQBDQIQPXPN-KRWDZBQOSA-N 1 1 416.478 0.181 50 0 HCAAMO NC(=O)CCS(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010213187 571296540 /nfs/dbraw/zinc/29/65/40/571296540.db2.gz KPRMPUOWXWJFAH-UHFFFAOYSA-N 1 1 411.480 0.356 50 0 HCAAMO O=C(Cn1nnnc1CN1CCOCC1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000011817858 558281256 /nfs/dbraw/zinc/28/12/56/558281256.db2.gz UXDYCVHMILURSW-UHFFFAOYSA-N 1 1 417.489 0.379 50 0 HCAAMO O=C(Cn1nnnc1CN1CCOCC1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000011817858 558281253 /nfs/dbraw/zinc/28/12/53/558281253.db2.gz UXDYCVHMILURSW-UHFFFAOYSA-N 1 1 417.489 0.379 50 0 HCAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011874615 1081059636 /nfs/dbraw/zinc/05/96/36/1081059636.db2.gz WTHCRBPTIYRIAB-IBGZPJMESA-N 1 1 424.501 0.997 50 0 HCAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011874615 1081059627 /nfs/dbraw/zinc/05/96/27/1081059627.db2.gz WTHCRBPTIYRIAB-IBGZPJMESA-N 1 1 424.501 0.997 50 0 HCAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011874616 1081059532 /nfs/dbraw/zinc/05/95/32/1081059532.db2.gz WTHCRBPTIYRIAB-LJQANCHMSA-N 1 1 424.501 0.997 50 0 HCAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000011874616 1081059519 /nfs/dbraw/zinc/05/95/19/1081059519.db2.gz WTHCRBPTIYRIAB-LJQANCHMSA-N 1 1 424.501 0.997 50 0 HCAAMO COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCC[NH+]1CCOCC1 ZINC000011879184 1081060193 /nfs/dbraw/zinc/06/01/93/1081060193.db2.gz PJVTXBMJWNITFB-SFHVURJKSA-N 1 1 404.511 0.224 50 0 HCAAMO COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCC[NH+]1CCOCC1 ZINC000011879185 1081060022 /nfs/dbraw/zinc/06/00/22/1081060022.db2.gz PJVTXBMJWNITFB-GOSISDBHSA-N 1 1 404.511 0.224 50 0 HCAAMO CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000011933353 559268580 /nfs/dbraw/zinc/26/85/80/559268580.db2.gz PGEZGIRYZJFOMU-GOSISDBHSA-N 1 1 405.543 0.913 50 0 HCAAMO 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/nfs/dbraw/zinc/36/61/70/132366170.db2.gz KSBNVXLYFGMNCF-LJQANCHMSA-N 1 1 408.506 0.558 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3nn4c(nc(=O)cc4C)s3)CC2)CC1 ZINC000012765990 568948234 /nfs/dbraw/zinc/94/82/34/568948234.db2.gz RQGCQTZKASXFRX-OAHLLOKOSA-N 1 1 419.555 0.134 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3nn4c(nc(=O)cc4C)s3)CC2)CC1 ZINC000012765995 568948326 /nfs/dbraw/zinc/94/83/26/568948326.db2.gz RQGCQTZKASXFRX-HNNXBMFYSA-N 1 1 419.555 0.134 50 0 HCAAMO NC(=O)[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c2ccccc2O1 ZINC000012774716 132367070 /nfs/dbraw/zinc/36/70/70/132367070.db2.gz BWKCZZJCYHCVEK-IBGZPJMESA-N 1 1 414.506 0.990 50 0 HCAAMO NC(=O)[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c2ccccc2O1 ZINC000012774720 132367040 /nfs/dbraw/zinc/36/70/40/132367040.db2.gz BWKCZZJCYHCVEK-LJQANCHMSA-N 1 1 414.506 0.990 50 0 HCAAMO CC(C)CC(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000012782262 568958248 /nfs/dbraw/zinc/95/82/48/568958248.db2.gz CDNFHXZWRCJWGX-UHFFFAOYSA-N 1 1 407.515 0.853 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000012879917 569014724 /nfs/dbraw/zinc/01/47/24/569014724.db2.gz KIKBIVITVWPCPV-OAHLLOKOSA-N 1 1 400.570 0.607 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000012879926 569014721 /nfs/dbraw/zinc/01/47/21/569014721.db2.gz KIKBIVITVWPCPV-HNNXBMFYSA-N 1 1 400.570 0.607 50 0 HCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCCOC)C(=O)[C@H]31)C(=O)N2 ZINC000012901563 569020849 /nfs/dbraw/zinc/02/08/49/569020849.db2.gz WRZGRHQRBYISMB-IHRXTVBQSA-N 1 1 401.463 0.387 50 0 biogenic HCAAMO Cc1cc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc(C)[nH+]1 ZINC000012907086 569021390 /nfs/dbraw/zinc/02/13/90/569021390.db2.gz VKZJDVIQYBJSAN-UHFFFAOYSA-N 1 1 418.523 0.836 50 0 HCAAMO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012912865 558484677 /nfs/dbraw/zinc/48/46/77/558484677.db2.gz WOGDZPWQHDIFBI-QGZVFWFLSA-N 1 1 418.519 0.496 50 0 HCAAMO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012912870 558484630 /nfs/dbraw/zinc/48/46/30/558484630.db2.gz WOGDZPWQHDIFBI-KRWDZBQOSA-N 1 1 418.519 0.496 50 0 HCAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012980185 569042711 /nfs/dbraw/zinc/04/27/11/569042711.db2.gz PPLTYJGAJATSAV-OAHLLOKOSA-N 1 1 424.523 0.233 50 0 HCAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012980187 569042694 /nfs/dbraw/zinc/04/26/94/569042694.db2.gz PPLTYJGAJATSAV-HNNXBMFYSA-N 1 1 424.523 0.233 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000012984174 569405933 /nfs/dbraw/zinc/40/59/33/569405933.db2.gz AJHIFJFBJDVMTG-GOSISDBHSA-N 1 1 408.568 0.687 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000012984176 569405949 /nfs/dbraw/zinc/40/59/49/569405949.db2.gz AJHIFJFBJDVMTG-SFHVURJKSA-N 1 1 408.568 0.687 50 0 HCAAMO Cc1cc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc(C)[nH+]1 ZINC000013013261 558503581 /nfs/dbraw/zinc/50/35/81/558503581.db2.gz KZBIMFNXNJZIKM-UHFFFAOYSA-N 1 1 411.509 0.252 50 0 HCAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000013042273 569408067 /nfs/dbraw/zinc/40/80/67/569408067.db2.gz PQCVMMXVUYKCBS-OAHLLOKOSA-N 1 1 408.524 0.997 50 0 HCAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000013042273 569408065 /nfs/dbraw/zinc/40/80/65/569408065.db2.gz PQCVMMXVUYKCBS-OAHLLOKOSA-N 1 1 408.524 0.997 50 0 HCAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000013042274 569408139 /nfs/dbraw/zinc/40/81/39/569408139.db2.gz PQCVMMXVUYKCBS-HNNXBMFYSA-N 1 1 408.524 0.997 50 0 HCAAMO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000013042274 569408138 /nfs/dbraw/zinc/40/81/38/569408138.db2.gz PQCVMMXVUYKCBS-HNNXBMFYSA-N 1 1 408.524 0.997 50 0 HCAAMO CN(C)C(=O)C1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000013096828 569408939 /nfs/dbraw/zinc/40/89/39/569408939.db2.gz FRXWAIZTTDHESQ-UHFFFAOYSA-N 1 1 400.401 0.959 50 0 HCAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)C1 ZINC000013115500 558516004 /nfs/dbraw/zinc/51/60/04/558516004.db2.gz ZNRWELKYFJBPSJ-HZPDHXFCSA-N 1 1 418.542 0.244 50 0 HCAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)C1 ZINC000013115502 558516030 /nfs/dbraw/zinc/51/60/30/558516030.db2.gz ZNRWELKYFJBPSJ-IYBDPMFKSA-N 1 1 418.542 0.244 50 0 HCAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)C1 ZINC000013115502 558516026 /nfs/dbraw/zinc/51/60/26/558516026.db2.gz ZNRWELKYFJBPSJ-IYBDPMFKSA-N 1 1 418.542 0.244 50 0 HCAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)C1 ZINC000013115504 558516015 /nfs/dbraw/zinc/51/60/15/558516015.db2.gz ZNRWELKYFJBPSJ-HOTGVXAUSA-N 1 1 418.542 0.244 50 0 HCAAMO COC(=O)c1cc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc(C(=O)OC)c1 ZINC000013153224 558846406 /nfs/dbraw/zinc/84/64/06/558846406.db2.gz YGZSNFKLHOULJN-PMPSAXMXSA-N 1 1 403.435 0.988 50 0 HCAAMO Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000013366529 569412173 /nfs/dbraw/zinc/41/21/73/569412173.db2.gz UDOJCSPLQXDJKR-UHFFFAOYSA-N 1 1 401.515 0.414 50 0 HCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000013494765 558534785 /nfs/dbraw/zinc/53/47/85/558534785.db2.gz ABARFPFEBUUMKX-UHFFFAOYSA-N 1 1 418.885 0.239 50 0 HCAAMO Cn1c2c([nH]c1=NN1CC[NH+](C)CC1)n(C)c(=O)n(Cc1ccc(Cl)cc1)c2=O ZINC000013513831 558536134 /nfs/dbraw/zinc/53/61/34/558536134.db2.gz BKYULYGWMQKGHY-UHFFFAOYSA-N 1 1 417.901 0.710 50 0 HCAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013570008 558541731 /nfs/dbraw/zinc/54/17/31/558541731.db2.gz CXPVFEJGRVFCNX-UHFFFAOYSA-N 1 1 419.485 0.926 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000013572584 558542433 /nfs/dbraw/zinc/54/24/33/558542433.db2.gz SONQNSLMKKPGAD-AJULVRJYSA-N 1 1 404.854 0.734 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000013575960 558543466 /nfs/dbraw/zinc/54/34/66/558543466.db2.gz HHTCIHQHRFGUNL-SGYDONOYSA-N 1 1 404.854 0.734 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000013591970 558546175 /nfs/dbraw/zinc/54/61/75/558546175.db2.gz WPOIAYWVYQWXSJ-WBTDVSTBSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013591972 558546200 /nfs/dbraw/zinc/54/62/00/558546200.db2.gz WPOIAYWVYQWXSJ-BTQNRAKYSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592011 558546212 /nfs/dbraw/zinc/54/62/12/558546212.db2.gz XTSASCMQZOCONU-HYBCHRFJSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592014 558546181 /nfs/dbraw/zinc/54/61/81/558546181.db2.gz XTSASCMQZOCONU-TUUALAAXSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592217 558546322 /nfs/dbraw/zinc/54/63/22/558546322.db2.gz QEWLSFTVIOJXAS-UCAPYPHUSA-N 1 1 403.410 0.106 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592220 558546452 /nfs/dbraw/zinc/54/64/52/558546452.db2.gz QEWLSFTVIOJXAS-PNEHTFGWSA-N 1 1 403.410 0.106 50 0 HCAAMO CCn1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000013624185 558550553 /nfs/dbraw/zinc/55/05/53/558550553.db2.gz VJNXCAAWUPXQOB-UHFFFAOYSA-N 1 1 414.462 0.644 50 0 HCAAMO CCN1c2ccc(Cl)cc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000013627690 558551506 /nfs/dbraw/zinc/55/15/06/558551506.db2.gz UWOLOIBPXPEXIL-MRXNPFEDSA-N 1 1 408.886 0.702 50 0 HCAAMO O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000013627941 558551583 /nfs/dbraw/zinc/55/15/83/558551583.db2.gz AAPNJZRGZKJVLG-UHFFFAOYSA-N 1 1 416.522 0.494 50 0 HCAAMO COC(=O)c1ccc(NC(=S)N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000013689854 558571946 /nfs/dbraw/zinc/57/19/46/558571946.db2.gz RAUNCQOOFWLJAR-UHFFFAOYSA-N 1 1 419.551 0.562 50 0 HCAAMO O=C(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCC[NH+]1CCOCC1 ZINC000013690328 558572301 /nfs/dbraw/zinc/57/23/01/558572301.db2.gz YCAMYXWIQNRGGS-IBGZPJMESA-N 1 1 414.506 0.994 50 0 HCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013692654 558573939 /nfs/dbraw/zinc/57/39/39/558573939.db2.gz VXRCVFIFZKEBQI-UKJHCGGJSA-N 1 1 407.854 0.478 50 0 HCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013692656 558573920 /nfs/dbraw/zinc/57/39/20/558573920.db2.gz VXRCVFIFZKEBQI-UEKNLZFZSA-N 1 1 407.854 0.478 50 0 HCAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000013722121 558582479 /nfs/dbraw/zinc/58/24/79/558582479.db2.gz LGGVKQOLXBNRCM-UHFFFAOYSA-N 1 1 408.524 0.820 50 0 HCAAMO Cn1c2[nH]c(=NN3CC[NH+](C)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000013750437 558589369 /nfs/dbraw/zinc/58/93/69/558589369.db2.gz ALQDMRMJJUZOQS-UHFFFAOYSA-N 1 1 417.901 0.710 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014237916 559161536 /nfs/dbraw/zinc/16/15/36/559161536.db2.gz BYEIXBYTSYUTCK-MRXNPFEDSA-N 1 1 412.531 0.685 50 0 HCAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014237919 559161568 /nfs/dbraw/zinc/16/15/68/559161568.db2.gz BYEIXBYTSYUTCK-INIZCTEOSA-N 1 1 412.531 0.685 50 0 HCAAMO CNC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246510 558647578 /nfs/dbraw/zinc/64/75/78/558647578.db2.gz WJDOWPGAKRUIOP-QAPCUYQASA-N 1 1 421.519 0.426 50 0 HCAAMO CNC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246511 558647573 /nfs/dbraw/zinc/64/75/73/558647573.db2.gz WJDOWPGAKRUIOP-CRAIPNDOSA-N 1 1 421.519 0.426 50 0 HCAAMO CNC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246512 558647588 /nfs/dbraw/zinc/64/75/88/558647588.db2.gz WJDOWPGAKRUIOP-YJBOKZPZSA-N 1 1 421.519 0.426 50 0 HCAAMO CNC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246513 558647528 /nfs/dbraw/zinc/64/75/28/558647528.db2.gz WJDOWPGAKRUIOP-MAUKXSAKSA-N 1 1 421.519 0.426 50 0 HCAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)CC1 ZINC000014746961 558669363 /nfs/dbraw/zinc/66/93/63/558669363.db2.gz YMSVQMXSEACBRM-SFHVURJKSA-N 1 1 424.542 0.779 50 0 HCAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)CC1 ZINC000014746961 558669362 /nfs/dbraw/zinc/66/93/62/558669362.db2.gz YMSVQMXSEACBRM-SFHVURJKSA-N 1 1 424.542 0.779 50 0 HCAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)CC1 ZINC000014746962 558669303 /nfs/dbraw/zinc/66/93/03/558669303.db2.gz YMSVQMXSEACBRM-GOSISDBHSA-N 1 1 424.542 0.779 50 0 HCAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)CC1 ZINC000014746962 558669300 /nfs/dbraw/zinc/66/93/00/558669300.db2.gz YMSVQMXSEACBRM-GOSISDBHSA-N 1 1 424.542 0.779 50 0 HCAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1 ZINC000014979240 558690645 /nfs/dbraw/zinc/69/06/45/558690645.db2.gz ZFOMIAGFOXBMJG-DCKQQPRJSA-N 1 1 424.505 0.753 50 0 HCAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1 ZINC000014979244 558690702 /nfs/dbraw/zinc/69/07/02/558690702.db2.gz ZFOMIAGFOXBMJG-ZMUQKWFASA-N 1 1 424.505 0.753 50 0 HCAAMO O=C(C1CC[NH+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1)N1CCCC1 ZINC000015061557 558704879 /nfs/dbraw/zinc/70/48/79/558704879.db2.gz LYZYGGKNMYNNIO-OALUTQOASA-N 1 1 407.536 0.755 50 0 HCAAMO O=C(NCCn1nnc2ccccc21)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015063491 558706221 /nfs/dbraw/zinc/70/62/21/558706221.db2.gz PEVZLQGKRDDTRC-QGZVFWFLSA-N 1 1 414.510 0.508 50 0 HCAAMO O=C(NCCn1nnc2ccccc21)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015063492 558706227 /nfs/dbraw/zinc/70/62/27/558706227.db2.gz PEVZLQGKRDDTRC-KRWDZBQOSA-N 1 1 414.510 0.508 50 0 HCAAMO O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000015066503 558709443 /nfs/dbraw/zinc/70/94/43/558709443.db2.gz DLKMGGSDUBDTBK-UHFFFAOYSA-N 1 1 424.549 0.926 50 0 HCAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1 ZINC000015069351 558711699 /nfs/dbraw/zinc/71/16/99/558711699.db2.gz XZDYDACVBWARMH-KRWDZBQOSA-N 1 1 402.503 0.482 50 0 HCAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1 ZINC000015069353 558711707 /nfs/dbraw/zinc/71/17/07/558711707.db2.gz XZDYDACVBWARMH-QGZVFWFLSA-N 1 1 402.503 0.482 50 0 HCAAMO COCC[N@H+]1CCc2nc3sc(SCC(=O)N4CCCC4)nn3c(=O)c2C1 ZINC000015414164 558738671 /nfs/dbraw/zinc/73/86/71/558738671.db2.gz PCTYIXSUAFAVHO-UHFFFAOYSA-N 1 1 409.537 0.870 50 0 HCAAMO CN(C)C(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](C[C@@H]2CCCO2)CC3)s1 ZINC000015414305 558738913 /nfs/dbraw/zinc/73/89/13/558738913.db2.gz IKSDSDZVBCSVIQ-NSHDSACASA-N 1 1 409.537 0.868 50 0 HCAAMO CN(C)C(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](C[C@@H]2CCCO2)CC3)s1 ZINC000015414305 558738909 /nfs/dbraw/zinc/73/89/09/558738909.db2.gz IKSDSDZVBCSVIQ-NSHDSACASA-N 1 1 409.537 0.868 50 0 HCAAMO CN(C)C(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](C[C@H]2CCCO2)CC3)s1 ZINC000015414308 558738898 /nfs/dbraw/zinc/73/88/98/558738898.db2.gz IKSDSDZVBCSVIQ-LLVKDONJSA-N 1 1 409.537 0.868 50 0 HCAAMO CN(C)C(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](C[C@H]2CCCO2)CC3)s1 ZINC000015414308 558738897 /nfs/dbraw/zinc/73/88/97/558738897.db2.gz IKSDSDZVBCSVIQ-LLVKDONJSA-N 1 1 409.537 0.868 50 0 HCAAMO COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[NH+](C)CC3)=C2)cc1OC ZINC000015673453 568962733 /nfs/dbraw/zinc/96/27/33/568962733.db2.gz DPJWTXRONQVCDX-UHFFFAOYSA-N 1 1 408.480 0.341 50 0 HCAAMO CC[NH+]1CCN(C(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)CC1 ZINC000015673488 568962792 /nfs/dbraw/zinc/96/27/92/568962792.db2.gz OKDMDJOIXKNXNL-UHFFFAOYSA-N 1 1 422.507 0.731 50 0 HCAAMO CC[NH+]1CCN(C(=O)C2=CC(c3ccc4c(c3)OCO4)=NS(=O)(=O)N2C)CC1 ZINC000015673574 568962798 /nfs/dbraw/zinc/96/27/98/568962798.db2.gz MTQDFRPXVXPICJ-UHFFFAOYSA-N 1 1 406.464 0.443 50 0 HCAAMO CCCC[N@@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000015731370 568981947 /nfs/dbraw/zinc/98/19/47/568981947.db2.gz VTFUBJZGXLATLW-UHFFFAOYSA-N 1 1 415.556 0.892 50 0 biogenic HCAAMO CC1CCN(c2nn3c(ncc(C(=O)NCCC[NH+]4CCOCC4)c3=O)s2)CC1 ZINC000015732692 568982653 /nfs/dbraw/zinc/98/26/53/568982653.db2.gz MYUTYWNZLZBAPF-UHFFFAOYSA-N 1 1 420.539 0.839 50 0 HCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CC[NH+](C)CC1)N2C(C)=O ZINC000015775912 568999327 /nfs/dbraw/zinc/99/93/27/568999327.db2.gz IZRVMNVUGLKVQG-LJQANCHMSA-N 1 1 422.551 0.769 50 0 HCAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CC[NH+](C)CC1)N2C(C)=O ZINC000015775913 568999277 /nfs/dbraw/zinc/99/92/77/568999277.db2.gz IZRVMNVUGLKVQG-IBGZPJMESA-N 1 1 422.551 0.769 50 0 HCAAMO CC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N1CC[NH+](C)CC1 ZINC000015785263 569005346 /nfs/dbraw/zinc/00/53/46/569005346.db2.gz JHBSAZFRDGZPEF-GOSISDBHSA-N 1 1 420.535 0.995 50 0 HCAAMO CC(C)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N1CC[NH+](C)CC1 ZINC000015785265 569005306 /nfs/dbraw/zinc/00/53/06/569005306.db2.gz JHBSAZFRDGZPEF-SFHVURJKSA-N 1 1 420.535 0.995 50 0 HCAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CCN1CCCC1 ZINC000015862657 569015950 /nfs/dbraw/zinc/01/59/50/569015950.db2.gz YWTVQHXJZBKYTE-UHFFFAOYSA-N 1 1 408.568 0.903 50 0 HCAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000015868782 558759476 /nfs/dbraw/zinc/75/94/76/558759476.db2.gz JPFZXMKALDPWLI-SFHVURJKSA-N 1 1 411.524 0.551 50 0 HCAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000015868783 558759499 /nfs/dbraw/zinc/75/94/99/558759499.db2.gz JPFZXMKALDPWLI-GOSISDBHSA-N 1 1 411.524 0.551 50 0 HCAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000015868835 558759495 /nfs/dbraw/zinc/75/94/95/558759495.db2.gz ZCLWFCUNRHQPHL-UHFFFAOYSA-N 1 1 405.542 0.329 50 0 HCAAMO O=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868847 558759506 /nfs/dbraw/zinc/75/95/06/558759506.db2.gz MOICYOUMIYIASN-UHFFFAOYSA-N 1 1 407.945 0.728 50 0 HCAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868959 558759466 /nfs/dbraw/zinc/75/94/66/558759466.db2.gz JDCUBDQSECRMRJ-UHFFFAOYSA-N 1 1 409.961 0.976 50 0 HCAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015868961 558759613 /nfs/dbraw/zinc/75/96/13/558759613.db2.gz CCMPCXCXLSTJOP-UHFFFAOYSA-N 1 1 405.542 0.331 50 0 HCAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000015868964 558759451 /nfs/dbraw/zinc/75/94/51/558759451.db2.gz JPBMMRUUZGPTSG-UHFFFAOYSA-N 1 1 403.570 0.939 50 0 HCAAMO COCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015868969 558759547 /nfs/dbraw/zinc/75/95/47/558759547.db2.gz NKPTXKXVZIZODN-UHFFFAOYSA-N 1 1 423.532 0.088 50 0 HCAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)CC(C)C)cc1 ZINC000015868984 558759733 /nfs/dbraw/zinc/75/97/33/558759733.db2.gz UNAMJHNUSJGABY-UHFFFAOYSA-N 1 1 419.569 0.577 50 0 HCAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CO)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956804 569024567 /nfs/dbraw/zinc/02/45/67/569024567.db2.gz VKBWSBBIPSRJLV-QLDGJZPUSA-N 1 1 421.409 0.529 50 0 biogenic HCAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CO)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956805 569024525 /nfs/dbraw/zinc/02/45/25/569024525.db2.gz VKBWSBBIPSRJLV-SUWCGCSTSA-N 1 1 421.409 0.529 50 0 biogenic HCAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000015957792 569024672 /nfs/dbraw/zinc/02/46/72/569024672.db2.gz MQYJBLHFFMMPJS-PBWVOLNLSA-N 1 1 420.425 0.496 50 0 biogenic HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015958024 569024681 /nfs/dbraw/zinc/02/46/81/569024681.db2.gz SSKFEUMSKCAJAN-HAOYMYTASA-N 1 1 421.409 0.721 50 0 biogenic HCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015958025 569024651 /nfs/dbraw/zinc/02/46/51/569024651.db2.gz SSKFEUMSKCAJAN-ARGWBDOXSA-N 1 1 421.409 0.721 50 0 biogenic HCAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015958642 569024737 /nfs/dbraw/zinc/02/47/37/569024737.db2.gz KFVSZFOJGLIEBA-AVWHDBODSA-N 1 1 421.453 0.997 50 0 biogenic HCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958699 569024773 /nfs/dbraw/zinc/02/47/73/569024773.db2.gz KEGUYSHCKXWNRV-AVWHDBODSA-N 1 1 421.453 0.997 50 0 biogenic HCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967722 569025151 /nfs/dbraw/zinc/02/51/51/569025151.db2.gz RIIUXTNKHKPOJU-FAODYONGSA-N 1 1 418.453 0.525 50 0 biogenic HCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967724 569025159 /nfs/dbraw/zinc/02/51/59/569025159.db2.gz RIIUXTNKHKPOJU-NZQNYPKQSA-N 1 1 418.453 0.525 50 0 biogenic HCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967726 569025190 /nfs/dbraw/zinc/02/51/90/569025190.db2.gz RIIUXTNKHKPOJU-QYUDBREXSA-N 1 1 418.453 0.525 50 0 biogenic HCAAMO NC(=O)C[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967728 569025166 /nfs/dbraw/zinc/02/51/66/569025166.db2.gz RIIUXTNKHKPOJU-YQYRJILISA-N 1 1 418.453 0.525 50 0 biogenic HCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000015972417 569025217 /nfs/dbraw/zinc/02/52/17/569025217.db2.gz XTSASCMQZOCONU-FYZYVJBLSA-N 1 1 419.865 0.620 50 0 HCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016009992 558766443 /nfs/dbraw/zinc/76/64/43/558766443.db2.gz KYLWLGZNACBZMK-PBWVOLNLSA-N 1 1 422.416 0.622 50 0 HCAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016009993 558766462 /nfs/dbraw/zinc/76/64/62/558766462.db2.gz KYLWLGZNACBZMK-XNGFIGEISA-N 1 1 422.416 0.622 50 0 HCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016009994 558766552 /nfs/dbraw/zinc/76/65/52/558766552.db2.gz KYLWLGZNACBZMK-KANGHSEISA-N 1 1 422.416 0.622 50 0 HCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016009995 558766564 /nfs/dbraw/zinc/76/65/64/558766564.db2.gz KYLWLGZNACBZMK-YDGKCNFYSA-N 1 1 422.416 0.622 50 0 HCAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016010156 558766473 /nfs/dbraw/zinc/76/64/73/558766473.db2.gz FWQYJAVYYNVLII-FKRHRZSBSA-N 1 1 414.437 0.754 50 0 HCAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016010157 558766577 /nfs/dbraw/zinc/76/65/77/558766577.db2.gz FWQYJAVYYNVLII-RACNMONISA-N 1 1 414.437 0.754 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016021932 558767546 /nfs/dbraw/zinc/76/75/46/558767546.db2.gz GEAYXWNVVBANEQ-IBWPGLOJSA-N 1 1 404.854 0.736 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016021933 558767618 /nfs/dbraw/zinc/76/76/18/558767618.db2.gz GEAYXWNVVBANEQ-WGDDSDEBSA-N 1 1 404.854 0.736 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016022041 558767655 /nfs/dbraw/zinc/76/76/55/558767655.db2.gz SONQNSLMKKPGAD-UBXMYJPPSA-N 1 1 404.854 0.734 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016022287 558768109 /nfs/dbraw/zinc/76/81/09/558768109.db2.gz ZIKUXWQTHPHBQZ-MGYNZIJRSA-N 1 1 407.854 0.396 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024521 558768726 /nfs/dbraw/zinc/76/87/26/558768726.db2.gz KKYUQXKXRJZWTJ-IPJQRFBASA-N 1 1 404.854 0.734 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024523 558768732 /nfs/dbraw/zinc/76/87/32/558768732.db2.gz KKYUQXKXRJZWTJ-PRKYJLDLSA-N 1 1 404.854 0.734 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016024555 558768621 /nfs/dbraw/zinc/76/86/21/558768621.db2.gz LAUFNGNNYBIUML-IPJQRFBASA-N 1 1 404.854 0.736 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016024557 558768600 /nfs/dbraw/zinc/76/86/00/558768600.db2.gz LAUFNGNNYBIUML-PRKYJLDLSA-N 1 1 404.854 0.736 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016025005 558768783 /nfs/dbraw/zinc/76/87/83/558768783.db2.gz LJLWNJCMIKDALK-SFIKBLTFSA-N 1 1 404.854 0.734 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016025007 558768884 /nfs/dbraw/zinc/76/88/84/558768884.db2.gz LJLWNJCMIKDALK-FWXAJUPQSA-N 1 1 404.854 0.734 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016025120 558768818 /nfs/dbraw/zinc/76/88/18/558768818.db2.gz HHTCIHQHRFGUNL-CQDCXQBXSA-N 1 1 404.854 0.734 50 0 HCAAMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NCCC[NH+]1CCOCC1 ZINC000016027883 560654404 /nfs/dbraw/zinc/65/44/04/560654404.db2.gz NTJDNXBMUSYIBK-ZWKOTPCHSA-N 1 1 416.522 0.413 50 0 biogenic HCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016032867 569027939 /nfs/dbraw/zinc/02/79/39/569027939.db2.gz PPQFMAIYOKGXHV-PBWVOLNLSA-N 1 1 404.426 0.483 50 0 biogenic HCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000016034097 558769434 /nfs/dbraw/zinc/76/94/34/558769434.db2.gz WPGWRFVWPFNPQG-IQVAWXOJSA-N 1 1 401.463 0.441 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017171343 558824646 /nfs/dbraw/zinc/82/46/46/558824646.db2.gz TYNUYCOMIMVAAD-UHFFFAOYSA-N 1 1 401.554 0.987 50 0 HCAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000018110332 560775946 /nfs/dbraw/zinc/77/59/46/560775946.db2.gz RFDUPYZDKWSLSS-UHFFFAOYSA-N 1 1 410.478 0.087 50 0 HCAAMO CCOC(=O)c1cnc(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc1N ZINC000019066623 568748653 /nfs/dbraw/zinc/74/86/53/568748653.db2.gz BNPAKSJVAHWMJI-CYBMUJFWSA-N 1 1 411.528 0.801 50 0 HCAAMO CCOC(=O)c1cnc(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc1N ZINC000019066626 568748610 /nfs/dbraw/zinc/74/86/10/568748610.db2.gz BNPAKSJVAHWMJI-ZDUSSCGKSA-N 1 1 411.528 0.801 50 0 HCAAMO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000019219364 569414565 /nfs/dbraw/zinc/41/45/65/569414565.db2.gz YIRZJECWVAYIIK-IBGZPJMESA-N 1 1 418.538 0.533 50 0 HCAAMO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000019219373 569414473 /nfs/dbraw/zinc/41/44/73/569414473.db2.gz YIRZJECWVAYIIK-LJQANCHMSA-N 1 1 418.538 0.533 50 0 HCAAMO CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228710 558853157 /nfs/dbraw/zinc/85/31/57/558853157.db2.gz KXTDJVQDNFHACM-QGZVFWFLSA-N 1 1 410.540 0.804 50 0 HCAAMO CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228712 558853198 /nfs/dbraw/zinc/85/31/98/558853198.db2.gz KXTDJVQDNFHACM-KRWDZBQOSA-N 1 1 410.540 0.804 50 0 HCAAMO Cc1cccc(Cn2c(NCCC[NH+]3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000019235099 569007839 /nfs/dbraw/zinc/00/78/39/569007839.db2.gz RQIBZKVUFPJJCU-UHFFFAOYSA-N 1 1 412.494 0.914 50 0 HCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000019289308 558862168 /nfs/dbraw/zinc/86/21/68/558862168.db2.gz JVLLICKMVOYLJF-UHFFFAOYSA-N 1 1 418.885 0.239 50 0 HCAAMO O=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000019335194 558869702 /nfs/dbraw/zinc/86/97/02/558869702.db2.gz OZSLNWKVBRONGY-QGZVFWFLSA-N 1 1 407.492 0.825 50 0 HCAAMO OCC[NH+]1CCN(C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369718 569124419 /nfs/dbraw/zinc/12/44/19/569124419.db2.gz CKFRQCMJSIAWOM-MRXNPFEDSA-N 1 1 403.317 0.815 50 0 HCAAMO OCC[NH+]1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369721 569124508 /nfs/dbraw/zinc/12/45/08/569124508.db2.gz CKFRQCMJSIAWOM-INIZCTEOSA-N 1 1 403.317 0.815 50 0 HCAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CCOCCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369924 569124402 /nfs/dbraw/zinc/12/44/02/569124402.db2.gz XVSALQNXXRYARZ-WXVKEMSFSA-N 1 1 422.566 0.898 50 0 biogenic HCAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CCOCCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369927 569124479 /nfs/dbraw/zinc/12/44/79/569124479.db2.gz XVSALQNXXRYARZ-AZJNXZCVSA-N 1 1 422.566 0.898 50 0 biogenic HCAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000019372083 558879542 /nfs/dbraw/zinc/87/95/42/558879542.db2.gz AAWBCPYBZYTLGE-UHFFFAOYSA-N 1 1 404.467 0.902 50 0 HCAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000019372448 558879557 /nfs/dbraw/zinc/87/95/57/558879557.db2.gz BNRPSUDKGSZLCT-UHFFFAOYSA-N 1 1 420.466 0.520 50 0 HCAAMO O=C(NCCCOc1cccnc1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019740567 558261300 /nfs/dbraw/zinc/26/13/00/558261300.db2.gz UUXYHKRELZMKMN-GOSISDBHSA-N 1 1 404.511 0.928 50 0 HCAAMO O=C(NCCCOc1cccnc1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019740569 558261334 /nfs/dbraw/zinc/26/13/34/558261334.db2.gz UUXYHKRELZMKMN-SFHVURJKSA-N 1 1 404.511 0.928 50 0 HCAAMO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000019770915 558279824 /nfs/dbraw/zinc/27/98/24/558279824.db2.gz LNMQPAOKVNVJEU-INIZCTEOSA-N 1 1 417.443 0.542 50 0 HCAAMO NC(=O)C1(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000019771074 558279659 /nfs/dbraw/zinc/27/96/59/558279659.db2.gz LHPBZEPYCOKOMJ-QGZVFWFLSA-N 1 1 414.506 0.789 50 0 HCAAMO NC(=O)C1(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000019771075 558279696 /nfs/dbraw/zinc/27/96/96/558279696.db2.gz LHPBZEPYCOKOMJ-KRWDZBQOSA-N 1 1 414.506 0.789 50 0 HCAAMO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)CC1 ZINC000019782208 558281453 /nfs/dbraw/zinc/28/14/53/558281453.db2.gz RCKPXDQFZAMSPQ-QGZVFWFLSA-N 1 1 410.515 0.248 50 0 HCAAMO CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)CC1 ZINC000019782209 558281436 /nfs/dbraw/zinc/28/14/36/558281436.db2.gz RCKPXDQFZAMSPQ-KRWDZBQOSA-N 1 1 410.515 0.248 50 0 HCAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCN3CCOC3=O)c2)CC1 ZINC000019793025 558283594 /nfs/dbraw/zinc/28/35/94/558283594.db2.gz WDGOHZBGIYLKGH-LJQANCHMSA-N 1 1 406.527 0.606 50 0 HCAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCN3CCOC3=O)c2)CC1 ZINC000019793027 558283538 /nfs/dbraw/zinc/28/35/38/558283538.db2.gz WDGOHZBGIYLKGH-IBGZPJMESA-N 1 1 406.527 0.606 50 0 HCAAMO CNC(=O)NC(=O)CSc1nnc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000019897549 558303957 /nfs/dbraw/zinc/30/39/57/558303957.db2.gz KHLOHSCHHLMYGL-UHFFFAOYSA-N 1 1 404.496 0.935 50 0 HCAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000019913523 558306882 /nfs/dbraw/zinc/30/68/82/558306882.db2.gz ZCKYOXZVEQSZPR-UHFFFAOYSA-N 1 1 412.494 0.170 50 0 HCAAMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)cc1OC ZINC000019913545 558306823 /nfs/dbraw/zinc/30/68/23/558306823.db2.gz FZVGTKSATJMVOY-OAHLLOKOSA-N 1 1 411.524 0.879 50 0 HCAAMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1OC ZINC000019913548 525030947 /nfs/dbraw/zinc/03/09/47/525030947.db2.gz FZVGTKSATJMVOY-HNNXBMFYSA-N 1 1 411.524 0.879 50 0 HCAAMO Cn1c2ncn(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000019928791 558308871 /nfs/dbraw/zinc/30/88/71/558308871.db2.gz NCNXFVMNBVYHTJ-UHFFFAOYSA-N 1 1 410.478 0.168 50 0 HCAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000019944084 558314554 /nfs/dbraw/zinc/31/45/54/558314554.db2.gz PXBZRXDDNNNYAG-UHFFFAOYSA-N 1 1 412.494 0.616 50 0 HCAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000020027264 524873987 /nfs/dbraw/zinc/87/39/87/524873987.db2.gz WNWNSNOQJJKPJA-UHFFFAOYSA-N 1 1 411.524 0.879 50 0 HCAAMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000020046361 558327366 /nfs/dbraw/zinc/32/73/66/558327366.db2.gz KUECLDHQUBWVND-UHFFFAOYSA-N 1 1 419.931 0.808 50 0 HCAAMO Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C ZINC000020051574 568586671 /nfs/dbraw/zinc/58/66/71/568586671.db2.gz JPVNDIKXXSGTNI-UHFFFAOYSA-N 1 1 412.494 0.616 50 0 HCAAMO Cn1c2nc3n(cc(-c4ccccc4)n3CC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000020051866 558328669 /nfs/dbraw/zinc/32/86/69/558328669.db2.gz KYBNDLBUKQJRNZ-UHFFFAOYSA-N 1 1 408.462 0.686 50 0 HCAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000020059802 558329109 /nfs/dbraw/zinc/32/91/09/558329109.db2.gz XEWCXFHMINYGTM-UHFFFAOYSA-N 1 1 416.457 0.745 50 0 HCAAMO Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000020061985 558329525 /nfs/dbraw/zinc/32/95/25/558329525.db2.gz GAHBKZVQQKWBID-UHFFFAOYSA-N 1 1 422.489 0.838 50 0 HCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000020103237 558332506 /nfs/dbraw/zinc/33/25/06/558332506.db2.gz JBARFEBQANBZBM-INIZCTEOSA-N 1 1 407.902 0.243 50 0 HCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000020103240 558332551 /nfs/dbraw/zinc/33/25/51/558332551.db2.gz JBARFEBQANBZBM-MRXNPFEDSA-N 1 1 407.902 0.243 50 0 HCAAMO CN1CC[NH+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000020130765 568589684 /nfs/dbraw/zinc/58/96/84/568589684.db2.gz YMADYMPOCXTUFR-UHFFFAOYSA-N 1 1 413.522 0.262 50 0 HCAAMO C[N@H+]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C[C@@H]1c1ccccc1 ZINC000020211490 558347846 /nfs/dbraw/zinc/34/78/46/558347846.db2.gz ZPYWAJVFAPDNDH-LJQANCHMSA-N 1 1 413.526 0.801 50 0 HCAAMO C[N@@H+]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C[C@@H]1c1ccccc1 ZINC000020211490 558347843 /nfs/dbraw/zinc/34/78/43/558347843.db2.gz ZPYWAJVFAPDNDH-LJQANCHMSA-N 1 1 413.526 0.801 50 0 HCAAMO C[N@H+]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C[C@H]1c1ccccc1 ZINC000020211495 558347975 /nfs/dbraw/zinc/34/79/75/558347975.db2.gz ZPYWAJVFAPDNDH-IBGZPJMESA-N 1 1 413.526 0.801 50 0 HCAAMO C[N@@H+]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C[C@H]1c1ccccc1 ZINC000020211495 558347973 /nfs/dbraw/zinc/34/79/73/558347973.db2.gz ZPYWAJVFAPDNDH-IBGZPJMESA-N 1 1 413.526 0.801 50 0 HCAAMO COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NCCC[NH+]2CCOCC2)=C1 ZINC000020220010 524374116 /nfs/dbraw/zinc/37/41/16/524374116.db2.gz HCUKRKMVQRAHMO-UHFFFAOYSA-N 1 1 422.507 0.397 50 0 HCAAMO COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[NH+](C)CC3)=C2)c1 ZINC000020220080 558348912 /nfs/dbraw/zinc/34/89/12/558348912.db2.gz CSIIWCFCYMUDCO-UHFFFAOYSA-N 1 1 408.480 0.341 50 0 HCAAMO Cc1nc2c(c(C)c1CCC(=O)NCCC[NH+]1CCOCC1)c(=O)n(C)c(=O)n2C ZINC000020283795 568597057 /nfs/dbraw/zinc/59/70/57/568597057.db2.gz NGYZBURQGSXKFI-UHFFFAOYSA-N 1 1 417.510 0.020 50 0 HCAAMO Cc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CC[NH+]2CCOCC2)cc1 ZINC000020312379 525768507 /nfs/dbraw/zinc/76/85/07/525768507.db2.gz ZZAOPUMDTNUASL-UHFFFAOYSA-N 1 1 422.489 0.994 50 0 HCAAMO COC(=O)C[C@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N1CC[NH+](C)CC1 ZINC000020357861 558357958 /nfs/dbraw/zinc/35/79/58/558357958.db2.gz IXHNRDLPUQNHKD-MRXNPFEDSA-N 1 1 421.450 0.377 50 0 HCAAMO COC(=O)C[C@@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N1CC[NH+](C)CC1 ZINC000020357863 558357858 /nfs/dbraw/zinc/35/78/58/558357858.db2.gz IXHNRDLPUQNHKD-INIZCTEOSA-N 1 1 421.450 0.377 50 0 HCAAMO Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCCC[NH+]3CCOCC3)=C2)cc1 ZINC000020366890 558358522 /nfs/dbraw/zinc/35/85/22/558358522.db2.gz IXSLLXSBUQZDQQ-UHFFFAOYSA-N 1 1 406.508 0.697 50 0 HCAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCOCCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412620 568605731 /nfs/dbraw/zinc/60/57/31/568605731.db2.gz XVSALQNXXRYARZ-AGZOZPPWSA-N 1 1 422.566 0.898 50 0 biogenic HCAAMO Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)sc2n1 ZINC000020416587 568606134 /nfs/dbraw/zinc/60/61/34/568606134.db2.gz ZGAMHQQQQQERFQ-UHFFFAOYSA-N 1 1 420.539 0.514 50 0 HCAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020418590 558361591 /nfs/dbraw/zinc/36/15/91/558361591.db2.gz SDAWOWVUWSFESK-GOSISDBHSA-N 1 1 405.543 0.988 50 0 HCAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020418592 558361627 /nfs/dbraw/zinc/36/16/27/558361627.db2.gz SDAWOWVUWSFESK-SFHVURJKSA-N 1 1 405.543 0.988 50 0 HCAAMO O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020419034 558361548 /nfs/dbraw/zinc/36/15/48/558361548.db2.gz RUPRATBSYCRFBL-QGZVFWFLSA-N 1 1 413.482 0.211 50 0 HCAAMO O=C(Cn1cnnn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020419037 558361565 /nfs/dbraw/zinc/36/15/65/558361565.db2.gz RUPRATBSYCRFBL-KRWDZBQOSA-N 1 1 413.482 0.211 50 0 HCAAMO O=C(CCn1nnnc1CN1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000020449428 558364567 /nfs/dbraw/zinc/36/45/67/558364567.db2.gz UTYKYJXCCAEHEY-LJQANCHMSA-N 1 1 413.526 0.676 50 0 HCAAMO O=C(CCn1nnnc1CN1CCOCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000020449432 558364622 /nfs/dbraw/zinc/36/46/22/558364622.db2.gz UTYKYJXCCAEHEY-IBGZPJMESA-N 1 1 413.526 0.676 50 0 HCAAMO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000020452302 524034287 /nfs/dbraw/zinc/03/42/87/524034287.db2.gz JEJCZWOTRWEVOE-IBGZPJMESA-N 1 1 422.501 0.363 50 0 HCAAMO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000020452304 558366622 /nfs/dbraw/zinc/36/66/22/558366622.db2.gz JEJCZWOTRWEVOE-LJQANCHMSA-N 1 1 422.501 0.363 50 0 HCAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1 ZINC000020452716 558366869 /nfs/dbraw/zinc/36/68/69/558366869.db2.gz FUJOKWJHNLSCEQ-OAQYLSRUSA-N 1 1 403.479 0.502 50 0 HCAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1 ZINC000020452718 558366900 /nfs/dbraw/zinc/36/69/00/558366900.db2.gz FUJOKWJHNLSCEQ-NRFANRHFSA-N 1 1 403.479 0.502 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000020466498 568610388 /nfs/dbraw/zinc/61/03/88/568610388.db2.gz RUDVDFKLERUBHQ-UHFFFAOYSA-N 1 1 422.555 0.720 50 0 HCAAMO CN1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000020489657 558377457 /nfs/dbraw/zinc/37/74/57/558377457.db2.gz IQXHEWFNQPACGG-UHFFFAOYSA-N 1 1 422.595 0.982 50 0 HCAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000020518089 558383044 /nfs/dbraw/zinc/38/30/44/558383044.db2.gz FWQYJAVYYNVLII-CCFTVXDOSA-N 1 1 414.437 0.754 50 0 HCAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000020518092 558383133 /nfs/dbraw/zinc/38/31/33/558383133.db2.gz FWQYJAVYYNVLII-YHXHNGJMSA-N 1 1 414.437 0.754 50 0 HCAAMO CCN1CC[NH+](CCCNC(=O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)CC1 ZINC000020531857 568627625 /nfs/dbraw/zinc/62/76/25/568627625.db2.gz PRVJGGWISNMAHU-UHFFFAOYSA-N 1 1 406.527 0.385 50 0 biogenic HCAAMO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCOCC1 ZINC000020531884 568627481 /nfs/dbraw/zinc/62/74/81/568627481.db2.gz VNVAKZFYGRWLIT-UHFFFAOYSA-N 1 1 409.483 0.689 50 0 biogenic HCAAMO CCc1noc(CN(CC)C(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)n1 ZINC000020536408 522898249 /nfs/dbraw/zinc/89/82/49/522898249.db2.gz WXRWBSRNIOZBOX-MRXNPFEDSA-N 1 1 407.515 0.941 50 0 HCAAMO CCc1noc(CN(CC)C(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)n1 ZINC000020536411 522898358 /nfs/dbraw/zinc/89/83/58/522898358.db2.gz WXRWBSRNIOZBOX-INIZCTEOSA-N 1 1 407.515 0.941 50 0 HCAAMO O=C(CCn1nnnc1CN1CCOCC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000020539722 526692440 /nfs/dbraw/zinc/69/24/40/526692440.db2.gz JUJDEQVRDMVTST-UHFFFAOYSA-N 1 1 405.547 0.762 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020548364 520562335 /nfs/dbraw/zinc/56/23/35/520562335.db2.gz GEAYXWNVVBANEQ-NFWAQSGPSA-N 1 1 404.854 0.736 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020548366 520561763 /nfs/dbraw/zinc/56/17/63/520561763.db2.gz GEAYXWNVVBANEQ-OUFKLWKOSA-N 1 1 404.854 0.736 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000020548897 523806936 /nfs/dbraw/zinc/80/69/36/523806936.db2.gz VWQCWNKZTWRJSO-MGYNZIJRSA-N 1 1 407.854 0.396 50 0 HCAAMO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000020556208 519837282 /nfs/dbraw/zinc/83/72/82/519837282.db2.gz DYNIMVIEULKQNX-IBGZPJMESA-N 1 1 415.538 0.713 50 0 HCAAMO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000020556210 519837222 /nfs/dbraw/zinc/83/72/22/519837222.db2.gz DYNIMVIEULKQNX-LJQANCHMSA-N 1 1 415.538 0.713 50 0 HCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc3ccccc32)CC1 ZINC000020556216 523892359 /nfs/dbraw/zinc/89/23/59/523892359.db2.gz UYJVQRLAVFKARB-FQEVSTJZSA-N 1 1 423.517 0.743 50 0 HCAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc3ccccc32)CC1 ZINC000020556218 523892435 /nfs/dbraw/zinc/89/24/35/523892435.db2.gz UYJVQRLAVFKARB-HXUWFJFHSA-N 1 1 423.517 0.743 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020566229 518705093 /nfs/dbraw/zinc/70/50/93/518705093.db2.gz KKYUQXKXRJZWTJ-BNVDUDBASA-N 1 1 404.854 0.734 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020566231 518706707 /nfs/dbraw/zinc/70/67/07/518706707.db2.gz KKYUQXKXRJZWTJ-GNEJLTCGSA-N 1 1 404.854 0.734 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566266 520561492 /nfs/dbraw/zinc/56/14/92/520561492.db2.gz LAUFNGNNYBIUML-BNVDUDBASA-N 1 1 404.854 0.736 50 0 HCAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566269 520562012 /nfs/dbraw/zinc/56/20/12/520562012.db2.gz LAUFNGNNYBIUML-GNEJLTCGSA-N 1 1 404.854 0.736 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566899 518704569 /nfs/dbraw/zinc/70/45/69/518704569.db2.gz LJLWNJCMIKDALK-ZTTNCSQNSA-N 1 1 404.854 0.734 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566901 518706261 /nfs/dbraw/zinc/70/62/61/518706261.db2.gz LJLWNJCMIKDALK-MYRNSEDVSA-N 1 1 404.854 0.734 50 0 HCAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCCOC)C(=O)[C@H]21 ZINC000020566982 521797522 /nfs/dbraw/zinc/79/75/22/521797522.db2.gz ZRWPIXBKGVQPNE-DPGRJMCKSA-N 1 1 401.463 0.387 50 0 HCAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCCOC)C(=O)[C@H]21 ZINC000020566985 521797235 /nfs/dbraw/zinc/79/72/35/521797235.db2.gz ZRWPIXBKGVQPNE-DMMAATOQSA-N 1 1 401.463 0.387 50 0 HCAAMO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000020567880 524215040 /nfs/dbraw/zinc/21/50/40/524215040.db2.gz RDMCUZJNHFKQLW-UHFFFAOYSA-N 1 1 419.931 0.953 50 0 HCAAMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000020567914 524359673 /nfs/dbraw/zinc/35/96/73/524359673.db2.gz QPAOHAHLWQIBFK-UHFFFAOYSA-N 1 1 419.931 0.953 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572369 525855258 /nfs/dbraw/zinc/85/52/58/525855258.db2.gz WPOIAYWVYQWXSJ-UCAPYPHUSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572370 525855339 /nfs/dbraw/zinc/85/53/39/525855339.db2.gz WPOIAYWVYQWXSJ-PNEHTFGWSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572387 525854409 /nfs/dbraw/zinc/85/44/09/525854409.db2.gz XTSASCMQZOCONU-OPJZLYNLSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572388 525855284 /nfs/dbraw/zinc/85/52/84/525855284.db2.gz XTSASCMQZOCONU-HKGZSJOXSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572548 525839349 /nfs/dbraw/zinc/83/93/49/525839349.db2.gz QEWLSFTVIOJXAS-WBTDVSTBSA-N 1 1 403.410 0.106 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572551 525838293 /nfs/dbraw/zinc/83/82/93/525838293.db2.gz QEWLSFTVIOJXAS-BTQNRAKYSA-N 1 1 403.410 0.106 50 0 HCAAMO CC1(C)Cc2c(sc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)c2C(N)=O)CO1 ZINC000020573675 520578005 /nfs/dbraw/zinc/57/80/05/520578005.db2.gz ZOTNHJHSYHCSTQ-UHFFFAOYSA-N 1 1 424.523 0.475 50 0 HCAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](CC)CC1 ZINC000020582480 521384004 /nfs/dbraw/zinc/38/40/04/521384004.db2.gz ZUUCRBVTTGUKBK-UHFFFAOYSA-N 1 1 400.501 0.251 50 0 HCAAMO COc1ccc(C2(CNC(=O)C(=O)NCCC[NH+]3CCOCC3)CCOCC2)cc1 ZINC000020588723 523867503 /nfs/dbraw/zinc/86/75/03/523867503.db2.gz CKXKBNLYKOUNNR-UHFFFAOYSA-N 1 1 419.522 0.698 50 0 HCAAMO CC1=[NH+]N(CCN2CCOCC2)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2C1 ZINC000020591714 520891368 /nfs/dbraw/zinc/89/13/68/520891368.db2.gz KLRAHBZUHSVKOZ-UHFFFAOYSA-N 1 1 403.487 0.081 50 0 HCAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCN2CCOCC2)n(C)c1=O ZINC000020591955 518547976 /nfs/dbraw/zinc/54/79/76/518547976.db2.gz NCCFNSGGNCMKCR-SNAWJCMRSA-N 1 1 401.471 0.001 50 0 HCAAMO O=C(c1nc2ccccn2c1CNCC[N@@H+]1CCCC[C@H]1CO)N1CCOCC1 ZINC000020600833 526918019 /nfs/dbraw/zinc/91/80/19/526918019.db2.gz VMICWRCEAUFJIL-KRWDZBQOSA-N 1 1 401.511 0.743 50 0 HCAAMO O=C(c1nc2ccccn2c1CNCC[N@H+]1CCCC[C@H]1CO)N1CCOCC1 ZINC000020600833 526918016 /nfs/dbraw/zinc/91/80/16/526918016.db2.gz VMICWRCEAUFJIL-KRWDZBQOSA-N 1 1 401.511 0.743 50 0 HCAAMO O=C(c1nc2ccccn2c1CNCC[N@@H+]1CCCC[C@@H]1CO)N1CCOCC1 ZINC000020600834 526918393 /nfs/dbraw/zinc/91/83/93/526918393.db2.gz VMICWRCEAUFJIL-QGZVFWFLSA-N 1 1 401.511 0.743 50 0 HCAAMO O=C(c1nc2ccccn2c1CNCC[N@H+]1CCCC[C@@H]1CO)N1CCOCC1 ZINC000020600834 526918387 /nfs/dbraw/zinc/91/83/87/526918387.db2.gz VMICWRCEAUFJIL-QGZVFWFLSA-N 1 1 401.511 0.743 50 0 HCAAMO Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000020603420 568636130 /nfs/dbraw/zinc/63/61/30/568636130.db2.gz FNNZFNMKUUUQLN-UHFFFAOYSA-N 1 1 413.526 0.822 50 0 HCAAMO CC[NH+]1CCN(C(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)CC1 ZINC000020608768 558389184 /nfs/dbraw/zinc/38/91/84/558389184.db2.gz FVXDVILZOKYVDQ-UHFFFAOYSA-N 1 1 422.507 0.731 50 0 HCAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000020611551 568637173 /nfs/dbraw/zinc/63/71/73/568637173.db2.gz KFVSZFOJGLIEBA-YLSATLEASA-N 1 1 421.453 0.997 50 0 biogenic HCAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000020611593 568637238 /nfs/dbraw/zinc/63/72/38/568637238.db2.gz KEGUYSHCKXWNRV-YLSATLEASA-N 1 1 421.453 0.997 50 0 biogenic HCAAMO Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]4C2=O)no1 ZINC000020623018 569031251 /nfs/dbraw/zinc/03/12/51/569031251.db2.gz GHZSPGZWEJTJBZ-WVSUBDOOSA-N 1 1 402.451 0.108 50 0 HCAAMO Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]4C2=O)no1 ZINC000020623021 558394346 /nfs/dbraw/zinc/39/43/46/558394346.db2.gz GHZSPGZWEJTJBZ-XNWPKKHHSA-N 1 1 402.451 0.108 50 0 HCAAMO CC1=[NH+]N(CCN2CCOCC2)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 ZINC000020623307 558394353 /nfs/dbraw/zinc/39/43/53/558394353.db2.gz RWSBQPFJAKTEHO-UHFFFAOYSA-N 1 1 417.514 0.471 50 0 HCAAMO O=S(=O)(c1ccccc1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000020664283 558398080 /nfs/dbraw/zinc/39/80/80/558398080.db2.gz BGNUZUJIXOTRAL-UHFFFAOYSA-N 1 1 412.581 0.590 50 0 HCAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020675577 558399711 /nfs/dbraw/zinc/39/97/11/558399711.db2.gz MSHOGXIBGLMZDO-UHFFFAOYSA-N 1 1 421.505 0.802 50 0 HCAAMO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000020687587 568640315 /nfs/dbraw/zinc/64/03/15/568640315.db2.gz LBYGXTSOHBSCPK-HXUWFJFHSA-N 1 1 422.595 0.982 50 0 HCAAMO CS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000020687593 568640326 /nfs/dbraw/zinc/64/03/26/568640326.db2.gz LBYGXTSOHBSCPK-FQEVSTJZSA-N 1 1 422.595 0.982 50 0 HCAAMO CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020715021 558400967 /nfs/dbraw/zinc/40/09/67/558400967.db2.gz KUFFDSHKGHHYTL-UHFFFAOYSA-N 1 1 422.551 0.215 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000020723840 568640634 /nfs/dbraw/zinc/64/06/34/568640634.db2.gz ULAAWFQDYJKGMG-FQEVSTJZSA-N 1 1 420.535 0.841 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000020723845 568640640 /nfs/dbraw/zinc/64/06/40/568640640.db2.gz ULAAWFQDYJKGMG-HXUWFJFHSA-N 1 1 420.535 0.841 50 0 HCAAMO COc1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000020738182 568641133 /nfs/dbraw/zinc/64/11/33/568641133.db2.gz CROJWZSXVSGOFA-UHFFFAOYSA-N 1 1 413.522 0.568 50 0 HCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(CCCOC)C(=O)[C@H]31)C(=O)N2 ZINC000020760293 568642280 /nfs/dbraw/zinc/64/22/80/568642280.db2.gz WRZGRHQRBYISMB-BLHLDGPGSA-N 1 1 401.463 0.387 50 0 biogenic HCAAMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020762027 568642349 /nfs/dbraw/zinc/64/23/49/568642349.db2.gz QXHJFXKSKOPCEC-UHFFFAOYSA-N 1 1 416.887 0.065 50 0 HCAAMO O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCCC[NH+]1CCOCC1 ZINC000020901215 568649848 /nfs/dbraw/zinc/64/98/48/568649848.db2.gz WUHFDMDSHYVLCR-UHFFFAOYSA-N 1 1 402.480 0.458 50 0 HCAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCCO1 ZINC000020909575 558421812 /nfs/dbraw/zinc/42/18/12/558421812.db2.gz JKYAQGPEELANDI-KRWDZBQOSA-N 1 1 413.478 0.903 50 0 HCAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2)[C@H]1CCCO1 ZINC000020909580 558421816 /nfs/dbraw/zinc/42/18/16/558421816.db2.gz JKYAQGPEELANDI-QGZVFWFLSA-N 1 1 413.478 0.903 50 0 HCAAMO Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)n1 ZINC000020910025 558422082 /nfs/dbraw/zinc/42/20/82/558422082.db2.gz VNXGKVAXJXHALC-LJQANCHMSA-N 1 1 405.543 0.919 50 0 HCAAMO Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)n1 ZINC000020910028 558421973 /nfs/dbraw/zinc/42/19/73/558421973.db2.gz VNXGKVAXJXHALC-IBGZPJMESA-N 1 1 405.543 0.919 50 0 HCAAMO NC(=O)CCN1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000020917794 558423074 /nfs/dbraw/zinc/42/30/74/558423074.db2.gz AIGRAIKRVLNVFL-FQEVSTJZSA-N 1 1 404.555 0.905 50 0 HCAAMO NC(=O)CCN1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000020917802 558423033 /nfs/dbraw/zinc/42/30/33/558423033.db2.gz AIGRAIKRVLNVFL-HXUWFJFHSA-N 1 1 404.555 0.905 50 0 HCAAMO Cn1c2nnc(CCCC(=O)NCCC[NH+]3CCOCC3)n2c2ccsc2c1=O ZINC000020923829 568651087 /nfs/dbraw/zinc/65/10/87/568651087.db2.gz DDKAFBXMPDMYGH-UHFFFAOYSA-N 1 1 418.523 0.804 50 0 HCAAMO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(C)CC4)C3)c12 ZINC000020945115 568653179 /nfs/dbraw/zinc/65/31/79/568653179.db2.gz VWWKOULBWJVWBD-MRXNPFEDSA-N 1 1 401.515 0.896 50 0 HCAAMO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(C)CC4)C3)c12 ZINC000020945119 568653171 /nfs/dbraw/zinc/65/31/71/568653171.db2.gz VWWKOULBWJVWBD-INIZCTEOSA-N 1 1 401.515 0.896 50 0 HCAAMO Cc1cccc(C[NH+]2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2)c1 ZINC000020995387 558426863 /nfs/dbraw/zinc/42/68/63/558426863.db2.gz YEHFEDQKPWNMKB-UHFFFAOYSA-N 1 1 413.526 0.548 50 0 HCAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCOCC4)ncn3n2)cc1 ZINC000021017755 568657957 /nfs/dbraw/zinc/65/79/57/568657957.db2.gz IIXWYEIQFHXASD-UHFFFAOYSA-N 1 1 424.505 0.959 50 0 HCAAMO Cc1nn(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000021017842 568657916 /nfs/dbraw/zinc/65/79/16/568657916.db2.gz VNDOBPZWAADVKP-UHFFFAOYSA-N 1 1 410.478 0.705 50 0 HCAAMO Cc1nn(CC(=O)NCCC[NH+]2CCN(C)CC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000021017873 568657947 /nfs/dbraw/zinc/65/79/47/568657947.db2.gz OPRGYISEGLNNDB-UHFFFAOYSA-N 1 1 423.521 0.620 50 0 HCAAMO C[NH+]1CCN(C(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn32)CC1 ZINC000021024043 568658655 /nfs/dbraw/zinc/65/86/55/568658655.db2.gz RTUINSBGDCHVGF-UHFFFAOYSA-N 1 1 415.498 0.174 50 0 HCAAMO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC[NH+]3CCOCC3)sc2n1 ZINC000021165331 568674680 /nfs/dbraw/zinc/67/46/80/568674680.db2.gz SBFYDQVHXJOLFQ-UHFFFAOYSA-N 1 1 408.528 0.378 50 0 HCAAMO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC[NH+]3CCN(C)CC3)sc2n1 ZINC000021165513 568674613 /nfs/dbraw/zinc/67/46/13/568674613.db2.gz WBDOBEGNLRZUQM-UHFFFAOYSA-N 1 1 421.571 0.293 50 0 HCAAMO O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)NCc1ccccc1Cl ZINC000021433929 558438146 /nfs/dbraw/zinc/43/81/46/558438146.db2.gz LCIBGDFMSOGIGF-UHFFFAOYSA-N 1 1 408.930 0.823 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021527070 568709653 /nfs/dbraw/zinc/70/96/53/568709653.db2.gz HGNILLHOWYYEFM-IBGZPJMESA-N 1 1 414.506 0.472 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021527073 568709576 /nfs/dbraw/zinc/70/95/76/568709576.db2.gz HGNILLHOWYYEFM-LJQANCHMSA-N 1 1 414.506 0.472 50 0 HCAAMO CC[NH+]1CCN(C(=O)c2ccc(CN3CC(=O)N4CSC[C@@H]4C3=O)cc2)CC1 ZINC000021530156 568710653 /nfs/dbraw/zinc/71/06/53/568710653.db2.gz JWTQUYCWIPVOHJ-QGZVFWFLSA-N 1 1 402.520 0.708 50 0 HCAAMO CC[NH+]1CCN(C(=O)c2ccc(CN3CC(=O)N4CSC[C@H]4C3=O)cc2)CC1 ZINC000021530158 568710694 /nfs/dbraw/zinc/71/06/94/568710694.db2.gz JWTQUYCWIPVOHJ-KRWDZBQOSA-N 1 1 402.520 0.708 50 0 HCAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000021534312 568711486 /nfs/dbraw/zinc/71/14/86/568711486.db2.gz YBQHZROYDBAWMI-GOSISDBHSA-N 1 1 408.568 0.984 50 0 HCAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000021534312 568711484 /nfs/dbraw/zinc/71/14/84/568711484.db2.gz YBQHZROYDBAWMI-GOSISDBHSA-N 1 1 408.568 0.984 50 0 HCAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000021534315 568711606 /nfs/dbraw/zinc/71/16/06/568711606.db2.gz YBQHZROYDBAWMI-SFHVURJKSA-N 1 1 408.568 0.984 50 0 HCAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000021534315 568711601 /nfs/dbraw/zinc/71/16/01/568711601.db2.gz YBQHZROYDBAWMI-SFHVURJKSA-N 1 1 408.568 0.984 50 0 HCAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)c1N ZINC000021652049 568729689 /nfs/dbraw/zinc/72/96/89/568729689.db2.gz VFYQLKKSWVCCMP-UHFFFAOYSA-N 1 1 414.510 0.999 50 0 HCAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)CC1 ZINC000021652399 568730254 /nfs/dbraw/zinc/73/02/54/568730254.db2.gz OYNUIDYNBWPHMQ-UHFFFAOYSA-N 1 1 414.510 0.999 50 0 HCAAMO CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021881087 568757327 /nfs/dbraw/zinc/75/73/27/568757327.db2.gz JDVXGUNQOJAPBE-UHFFFAOYSA-N 1 1 408.524 0.746 50 0 HCAAMO CC1=C(C(=O)NCC[N@@H+]2CCCC[C@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887573 568758805 /nfs/dbraw/zinc/75/88/05/568758805.db2.gz NHRCSJKVUJLZEO-CQSZACIVSA-N 1 1 413.540 0.645 50 0 biogenic HCAAMO CC1=C(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887576 568758844 /nfs/dbraw/zinc/75/88/44/568758844.db2.gz NHRCSJKVUJLZEO-AWEZNQCLSA-N 1 1 413.540 0.645 50 0 biogenic HCAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCOCCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022457317 558995294 /nfs/dbraw/zinc/99/52/94/558995294.db2.gz XVSALQNXXRYARZ-FRTWGHFBSA-N 1 1 422.566 0.898 50 0 biogenic HCAAMO COC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000022587451 558500272 /nfs/dbraw/zinc/50/02/72/558500272.db2.gz CQLUCCGBVMEAKJ-SFHVURJKSA-N 1 1 404.467 0.732 50 0 HCAAMO COC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000022587455 558500222 /nfs/dbraw/zinc/50/02/22/558500222.db2.gz CQLUCCGBVMEAKJ-GOSISDBHSA-N 1 1 404.467 0.732 50 0 HCAAMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000022693894 558504840 /nfs/dbraw/zinc/50/48/40/558504840.db2.gz PEDHVFGQKRDUQY-KRWDZBQOSA-N 1 1 421.542 0.321 50 0 HCAAMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000022693897 558504871 /nfs/dbraw/zinc/50/48/71/558504871.db2.gz PEDHVFGQKRDUQY-QGZVFWFLSA-N 1 1 421.542 0.321 50 0 HCAAMO COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697831 557784541 /nfs/dbraw/zinc/78/45/41/557784541.db2.gz MKVBAGRXEHDKTL-FQEVSTJZSA-N 1 1 402.495 0.603 50 0 HCAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697833 557784561 /nfs/dbraw/zinc/78/45/61/557784561.db2.gz MKVBAGRXEHDKTL-HXUWFJFHSA-N 1 1 402.495 0.603 50 0 HCAAMO CC[N@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788373 557824284 /nfs/dbraw/zinc/82/42/84/557824284.db2.gz GTOUAZCRSWFGMC-QGZVFWFLSA-N 1 1 410.540 0.720 50 0 HCAAMO CC[N@@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788373 557824281 /nfs/dbraw/zinc/82/42/81/557824281.db2.gz GTOUAZCRSWFGMC-QGZVFWFLSA-N 1 1 410.540 0.720 50 0 HCAAMO CC[N@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788380 557824252 /nfs/dbraw/zinc/82/42/52/557824252.db2.gz GTOUAZCRSWFGMC-KRWDZBQOSA-N 1 1 410.540 0.720 50 0 HCAAMO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788380 557824250 /nfs/dbraw/zinc/82/42/50/557824250.db2.gz GTOUAZCRSWFGMC-KRWDZBQOSA-N 1 1 410.540 0.720 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022808082 557824959 /nfs/dbraw/zinc/82/49/59/557824959.db2.gz SYPRAYJWTXCASI-HNNXBMFYSA-N 1 1 404.467 0.585 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022808090 557824945 /nfs/dbraw/zinc/82/49/45/557824945.db2.gz SYPRAYJWTXCASI-OAHLLOKOSA-N 1 1 404.467 0.585 50 0 HCAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000022812142 557829353 /nfs/dbraw/zinc/82/93/53/557829353.db2.gz AZTPOWAQBMWYJU-UHFFFAOYSA-N 1 1 417.558 0.048 50 0 HCAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](CC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000022812142 557829352 /nfs/dbraw/zinc/82/93/52/557829352.db2.gz AZTPOWAQBMWYJU-UHFFFAOYSA-N 1 1 417.558 0.048 50 0 HCAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)NC(=O)NCc1ccccc1 ZINC000022823654 558514931 /nfs/dbraw/zinc/51/49/31/558514931.db2.gz GEUIABSNCFUUBH-UHFFFAOYSA-N 1 1 401.511 0.643 50 0 HCAAMO Cc1cc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)no1 ZINC000022912148 558519653 /nfs/dbraw/zinc/51/96/53/558519653.db2.gz DEOHXTCIBGUPDC-UHFFFAOYSA-N 1 1 414.466 0.667 50 0 HCAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022912887 558520030 /nfs/dbraw/zinc/52/00/30/558520030.db2.gz IEJXSFDQYKOFSB-UHFFFAOYSA-N 1 1 404.511 0.954 50 0 HCAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022912887 558520027 /nfs/dbraw/zinc/52/00/27/558520027.db2.gz IEJXSFDQYKOFSB-UHFFFAOYSA-N 1 1 404.511 0.954 50 0 HCAAMO C[NH+]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000022913313 558520246 /nfs/dbraw/zinc/52/02/46/558520246.db2.gz KMVGXNXSHRXKFM-UHFFFAOYSA-N 1 1 416.931 0.547 50 0 HCAAMO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022917848 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CC(C)NC(=O)CN1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000032906051 519707253 /nfs/dbraw/zinc/70/72/53/519707253.db2.gz QWGMUSBKXHCPEW-UHFFFAOYSA-N 1 1 402.547 0.719 50 0 HCAAMO Cn1ncc2c1ncn(CC(=O)NCc1ccc(C[NH+]3CCN(C)CC3)cc1)c2=O ZINC000032933055 527584816 /nfs/dbraw/zinc/58/48/16/527584816.db2.gz CKHSIYILJRSIJF-UHFFFAOYSA-N 1 1 409.494 0.194 50 0 HCAAMO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048287 558885153 /nfs/dbraw/zinc/88/51/53/558885153.db2.gz MNVPUXNPDYZSFO-UHFFFAOYSA-N 1 1 417.583 0.729 50 0 HCAAMO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCCC[NH+]1CCOCC1 ZINC000033062677 558956294 /nfs/dbraw/zinc/95/62/94/558956294.db2.gz VFUHIWZLKKIMFW-UHFFFAOYSA-N 1 1 422.507 0.815 50 0 HCAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000033249912 558918822 /nfs/dbraw/zinc/91/88/22/558918822.db2.gz YUENEPJXRAAVNH-OAQYLSRUSA-N 1 1 416.526 0.564 50 0 HCAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)CC1 ZINC000033249913 558918805 /nfs/dbraw/zinc/91/88/05/558918805.db2.gz YUENEPJXRAAVNH-NRFANRHFSA-N 1 1 416.526 0.564 50 0 HCAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262227 558929570 /nfs/dbraw/zinc/92/95/70/558929570.db2.gz GKKSUVPBUVXECS-CQSZACIVSA-N 1 1 407.496 0.844 50 0 HCAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262228 558929758 /nfs/dbraw/zinc/92/97/58/558929758.db2.gz GKKSUVPBUVXECS-AWEZNQCLSA-N 1 1 407.496 0.844 50 0 HCAAMO CCN1CC[NH+](CCCNC(=O)Cn2cnc3nc4c(cc3c2=O)CCCC4)CC1 ZINC000033267556 558989505 /nfs/dbraw/zinc/98/95/05/558989505.db2.gz GCTGICSCWWJYGM-UHFFFAOYSA-N 1 1 412.538 0.814 50 0 HCAAMO C[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677210 557364644 /nfs/dbraw/zinc/36/46/44/557364644.db2.gz LLFMRAZNXLNVPW-AWEZNQCLSA-N 1 1 402.451 0.832 50 0 HCAAMO C[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677211 557364539 /nfs/dbraw/zinc/36/45/39/557364539.db2.gz LLFMRAZNXLNVPW-CQSZACIVSA-N 1 1 402.451 0.832 50 0 HCAAMO CC[C@@H](C)CNC(=O)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677404 557364858 /nfs/dbraw/zinc/36/48/58/557364858.db2.gz RLFQHSXMCHTMLN-MSOLQXFVSA-N 1 1 423.558 0.261 50 0 HCAAMO CC[C@H](C)CNC(=O)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677405 557364901 /nfs/dbraw/zinc/36/49/01/557364901.db2.gz RLFQHSXMCHTMLN-ROUUACIJSA-N 1 1 423.558 0.261 50 0 HCAAMO CC[C@@H](C)CNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677406 557364940 /nfs/dbraw/zinc/36/49/40/557364940.db2.gz RLFQHSXMCHTMLN-QZTJIDSGSA-N 1 1 423.558 0.261 50 0 HCAAMO CC[C@H](C)CNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677407 557364995 /nfs/dbraw/zinc/36/49/95/557364995.db2.gz RLFQHSXMCHTMLN-ZWKOTPCHSA-N 1 1 423.558 0.261 50 0 HCAAMO CC(C)CCNC(=O)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677446 557364810 /nfs/dbraw/zinc/36/48/10/557364810.db2.gz IVMUIJBVEHBLIR-SFHVURJKSA-N 1 1 423.558 0.261 50 0 HCAAMO CC(C)CCNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677447 557364960 /nfs/dbraw/zinc/36/49/60/557364960.db2.gz IVMUIJBVEHBLIR-GOSISDBHSA-N 1 1 423.558 0.261 50 0 HCAAMO CCNC(=O)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692147 557372663 /nfs/dbraw/zinc/37/26/63/557372663.db2.gz PNCPMUWZLNJCMU-QGZVFWFLSA-N 1 1 418.494 0.994 50 0 HCAAMO CCNC(=O)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692147 557372659 /nfs/dbraw/zinc/37/26/59/557372659.db2.gz PNCPMUWZLNJCMU-QGZVFWFLSA-N 1 1 418.494 0.994 50 0 HCAAMO CCNC(=O)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692148 557372540 /nfs/dbraw/zinc/37/25/40/557372540.db2.gz PNCPMUWZLNJCMU-KRWDZBQOSA-N 1 1 418.494 0.994 50 0 HCAAMO CCNC(=O)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692148 557372536 /nfs/dbraw/zinc/37/25/36/557372536.db2.gz PNCPMUWZLNJCMU-KRWDZBQOSA-N 1 1 418.494 0.994 50 0 HCAAMO COc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1OC ZINC000034918701 557483366 /nfs/dbraw/zinc/48/33/66/557483366.db2.gz PGTOACOFJHJXQX-GOSISDBHSA-N 1 1 419.522 0.933 50 0 HCAAMO COc1ccc(CCN2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1OC ZINC000034918704 557483214 /nfs/dbraw/zinc/48/32/14/557483214.db2.gz PGTOACOFJHJXQX-SFHVURJKSA-N 1 1 419.522 0.933 50 0 HCAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000034918775 557483357 /nfs/dbraw/zinc/48/33/57/557483357.db2.gz PTRRUNIGQXCSFL-GOSISDBHSA-N 1 1 419.522 0.885 50 0 HCAAMO COCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000034918777 557483276 /nfs/dbraw/zinc/48/32/76/557483276.db2.gz PTRRUNIGQXCSFL-SFHVURJKSA-N 1 1 419.522 0.885 50 0 HCAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CO)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000035363834 569033604 /nfs/dbraw/zinc/03/36/04/569033604.db2.gz VKBWSBBIPSRJLV-RQXXJAGISA-N 1 1 421.409 0.529 50 0 biogenic HCAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CO)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000035363835 569033611 /nfs/dbraw/zinc/03/36/11/569033611.db2.gz VKBWSBBIPSRJLV-QSNWEANLSA-N 1 1 421.409 0.529 50 0 biogenic HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000035375028 569033981 /nfs/dbraw/zinc/03/39/81/569033981.db2.gz SONQNSLMKKPGAD-XNOVLJCHSA-N 1 1 404.854 0.734 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035375255 569033962 /nfs/dbraw/zinc/03/39/62/569033962.db2.gz ZIKUXWQTHPHBQZ-WKLGPGOQSA-N 1 1 407.854 0.396 50 0 HCAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000035375513 569034019 /nfs/dbraw/zinc/03/40/19/569034019.db2.gz HHTCIHQHRFGUNL-FRNBMLASSA-N 1 1 404.854 0.734 50 0 HCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000035375549 569034008 /nfs/dbraw/zinc/03/40/08/569034008.db2.gz WPGWRFVWPFNPQG-YHCVYJFDSA-N 1 1 401.463 0.441 50 0 HCAAMO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cn1C ZINC000035376202 569034122 /nfs/dbraw/zinc/03/41/22/569034122.db2.gz WUMYTUIURJEELC-OAHLLOKOSA-N 1 1 412.512 0.129 50 0 HCAAMO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cn1C ZINC000035376204 569034139 /nfs/dbraw/zinc/03/41/39/569034139.db2.gz WUMYTUIURJEELC-HNNXBMFYSA-N 1 1 412.512 0.129 50 0 HCAAMO CC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N4CCCC4)ccc3OCC2=O)CC1 ZINC000035376819 569034410 /nfs/dbraw/zinc/03/44/10/569034410.db2.gz DZJHEOGPASOVST-UHFFFAOYSA-N 1 1 400.479 0.812 50 0 HCAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN(C)C)cc1 ZINC000035401369 569035493 /nfs/dbraw/zinc/03/54/93/569035493.db2.gz JXJHKUNYJVTZEZ-UHFFFAOYSA-N 1 1 412.556 0.460 50 0 HCAAMO O=C(CCN(CCN1CCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000035401480 569035357 /nfs/dbraw/zinc/03/53/57/569035357.db2.gz PWIKEZVZIWFTKD-UHFFFAOYSA-N 1 1 408.568 0.985 50 0 HCAAMO Cn1c(=O)c(=O)n(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c2cccnc21 ZINC000035449564 571316844 /nfs/dbraw/zinc/31/68/44/571316844.db2.gz JRNWQNMQZZPYAI-UHFFFAOYSA-N 1 1 407.474 0.660 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035485452 569039727 /nfs/dbraw/zinc/03/97/27/569039727.db2.gz VWQCWNKZTWRJSO-WKLGPGOQSA-N 1 1 407.854 0.396 50 0 HCAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCOCC3)n2C)c1 ZINC000035561143 569044991 /nfs/dbraw/zinc/04/49/91/569044991.db2.gz XPVHBMZNXZCYGT-UHFFFAOYSA-N 1 1 408.524 0.881 50 0 HCAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCN(C)CC3)n2C)c1 ZINC000035561177 569045041 /nfs/dbraw/zinc/04/50/41/569045041.db2.gz AUCXKJGTHXGERQ-UHFFFAOYSA-N 1 1 421.567 0.796 50 0 HCAAMO COc1ccc(N2CCn3c2nnc(C(=O)NCCC[NH+]2CCOCC2)c3=O)cc1 ZINC000035589913 569045326 /nfs/dbraw/zinc/04/53/26/569045326.db2.gz BYILPJOPXYETCG-UHFFFAOYSA-N 1 1 414.466 0.251 50 0 HCAAMO O=C(NCCC[NH+]1CCOCC1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000035589914 569045307 /nfs/dbraw/zinc/04/53/07/569045307.db2.gz HOKSKRLILYQZNL-UHFFFAOYSA-N 1 1 402.430 0.381 50 0 HCAAMO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871783 569064072 /nfs/dbraw/zinc/06/40/72/569064072.db2.gz VAQGDSAGRXRMPH-UYAOXDASSA-N 1 1 416.522 0.353 50 0 HCAAMO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871783 569064071 /nfs/dbraw/zinc/06/40/71/569064071.db2.gz VAQGDSAGRXRMPH-UYAOXDASSA-N 1 1 416.522 0.353 50 0 HCAAMO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871784 569064112 /nfs/dbraw/zinc/06/41/12/569064112.db2.gz VAQGDSAGRXRMPH-AZUAARDMSA-N 1 1 416.522 0.353 50 0 HCAAMO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035871784 569064111 /nfs/dbraw/zinc/06/41/11/569064111.db2.gz VAQGDSAGRXRMPH-AZUAARDMSA-N 1 1 416.522 0.353 50 0 HCAAMO C[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3cccc(F)c3)c2=O)CC1 ZINC000036086111 569087850 /nfs/dbraw/zinc/08/78/50/569087850.db2.gz VWPZIBADILNMEG-UHFFFAOYSA-N 1 1 423.448 0.969 50 0 HCAAMO 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/nfs/dbraw/zinc/98/23/81/558982381.db2.gz FQQIZYWHACVPTF-UHFFFAOYSA-N 1 1 410.478 0.920 50 0 HCAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3C[C@@H]5C[N@H+](C)C[C@@H]5C3)[C@H]4C2=O)c1 ZINC000077285793 559000384 /nfs/dbraw/zinc/00/03/84/559000384.db2.gz RTEDVGFVKIWDPH-SCPLQFNXSA-N 1 1 423.513 0.997 50 0 HCAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3C[C@@H]5C[N@H+](C)C[C@@H]5C3)[C@H]4C2=O)c1 ZINC000077285799 559000440 /nfs/dbraw/zinc/00/04/40/559000440.db2.gz RTEDVGFVKIWDPH-BWPAGOFOSA-N 1 1 423.513 0.997 50 0 HCAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3C[C@@H]5C[N@H+](C)C[C@@H]5C3)[C@@H]4C2=O)c1 ZINC000077285802 559000394 /nfs/dbraw/zinc/00/03/94/559000394.db2.gz RTEDVGFVKIWDPH-HRKTWYGZSA-N 1 1 423.513 0.997 50 0 HCAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3C[C@@H]5C[N@H+](C)C[C@@H]5C3)[C@@H]4C2=O)c1 ZINC000077285807 559000378 /nfs/dbraw/zinc/00/03/78/559000378.db2.gz RTEDVGFVKIWDPH-UDONMYLASA-N 1 1 423.513 0.997 50 0 HCAAMO Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077319013 559001046 /nfs/dbraw/zinc/00/10/46/559001046.db2.gz RPRIAWXLCKHWPC-WEMPKCCASA-N 1 1 413.522 0.944 50 0 HCAAMO Cc1cc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077319016 559001093 /nfs/dbraw/zinc/00/10/93/559001093.db2.gz RPRIAWXLCKHWPC-OZIGNCPNSA-N 1 1 413.522 0.944 50 0 HCAAMO Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077319018 559001103 /nfs/dbraw/zinc/00/11/03/559001103.db2.gz RPRIAWXLCKHWPC-JYLXEMOASA-N 1 1 413.522 0.944 50 0 HCAAMO Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077319020 559001077 /nfs/dbraw/zinc/00/10/77/559001077.db2.gz RPRIAWXLCKHWPC-VWNVYAMZSA-N 1 1 413.522 0.944 50 0 HCAAMO CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CCN(C(=O)c4cnn(C)c4)CC3)OC2=O)C1 ZINC000077321387 559001351 /nfs/dbraw/zinc/00/13/51/559001351.db2.gz DHYUVJJUIDVWRS-SFHVURJKSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@H]1CC[N@H+](CCCN2CC3(CCN(C(=O)c4cnn(C)c4)CC3)OC2=O)C1 ZINC000077321387 559001350 /nfs/dbraw/zinc/00/13/50/559001350.db2.gz DHYUVJJUIDVWRS-SFHVURJKSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CCN(C(=O)c4cnn(C)c4)CC3)OC2=O)C1 ZINC000077321391 559001336 /nfs/dbraw/zinc/00/13/36/559001336.db2.gz DHYUVJJUIDVWRS-GOSISDBHSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CCN(C(=O)c4cnn(C)c4)CC3)OC2=O)C1 ZINC000077321391 559001335 /nfs/dbraw/zinc/00/13/35/559001335.db2.gz DHYUVJJUIDVWRS-GOSISDBHSA-N 1 1 418.542 0.873 50 0 HCAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)c3cccn(C)c3=O)CC2)OC1=O ZINC000077376690 559002733 /nfs/dbraw/zinc/00/27/33/559002733.db2.gz BSRJOGJCRUCPHS-UHFFFAOYSA-N 1 1 406.483 0.391 50 0 HCAAMO NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@H+]3CCCOCC3)[nH]c2=O)cc1 ZINC000077377050 559002687 /nfs/dbraw/zinc/00/26/87/559002687.db2.gz ISGMDCHGULELGV-UHFFFAOYSA-N 1 1 420.491 0.175 50 0 HCAAMO CCN1CC[NH+](CCCN2CC3(CCN(C(=O)[C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000077407840 559004344 /nfs/dbraw/zinc/00/43/44/559004344.db2.gz YCOWDORIDGMIFQ-GOSISDBHSA-N 1 1 408.543 0.864 50 0 HCAAMO CCN1CC[NH+](CCCN2CC3(CCN(C(=O)[C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000077407841 559004298 /nfs/dbraw/zinc/00/42/98/559004298.db2.gz YCOWDORIDGMIFQ-SFHVURJKSA-N 1 1 408.543 0.864 50 0 HCAAMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)[C@H]1COC[C@@H]1O ZINC000077426372 559004875 /nfs/dbraw/zinc/00/48/75/559004875.db2.gz YTPDLHLESKGXMQ-IRXDYDNUSA-N 1 1 415.446 0.615 50 0 HCAAMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077437741 559005162 /nfs/dbraw/zinc/00/51/62/559005162.db2.gz SPCQAECXGOPAEV-INIZCTEOSA-N 1 1 412.446 0.744 50 0 HCAAMO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077437741 559005161 /nfs/dbraw/zinc/00/51/61/559005161.db2.gz SPCQAECXGOPAEV-INIZCTEOSA-N 1 1 412.446 0.744 50 0 HCAAMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077437743 559005196 /nfs/dbraw/zinc/00/51/96/559005196.db2.gz SPCQAECXGOPAEV-MRXNPFEDSA-N 1 1 412.446 0.744 50 0 HCAAMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077437743 559005195 /nfs/dbraw/zinc/00/51/95/559005195.db2.gz SPCQAECXGOPAEV-MRXNPFEDSA-N 1 1 412.446 0.744 50 0 HCAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077438353 559005258 /nfs/dbraw/zinc/00/52/58/559005258.db2.gz IJZPUOACPBRNCB-CYBMUJFWSA-N 1 1 412.446 0.744 50 0 HCAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077438355 559005267 /nfs/dbraw/zinc/00/52/67/559005267.db2.gz IJZPUOACPBRNCB-ZDUSSCGKSA-N 1 1 412.446 0.744 50 0 HCAAMO C[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)[C@H]1COC[C@@H]1O ZINC000077452314 559005596 /nfs/dbraw/zinc/00/55/96/559005596.db2.gz OQIBHQHTUKUUTE-HOTGVXAUSA-N 1 1 401.419 0.225 50 0 HCAAMO C[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)[C@H]1COC[C@@H]1O ZINC000077452314 559005594 /nfs/dbraw/zinc/00/55/94/559005594.db2.gz OQIBHQHTUKUUTE-HOTGVXAUSA-N 1 1 401.419 0.225 50 0 HCAAMO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)c4ccn[nH]4)CC3)OC2=O)CC1 ZINC000077459743 559006142 /nfs/dbraw/zinc/00/61/42/559006142.db2.gz GPQGVCMVTXEVQW-UHFFFAOYSA-N 1 1 404.515 0.864 50 0 HCAAMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077488767 559007231 /nfs/dbraw/zinc/00/72/31/559007231.db2.gz IKUPIPRHVIWNPC-CQSZACIVSA-N 1 1 412.446 0.602 50 0 HCAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077488769 559007210 /nfs/dbraw/zinc/00/72/10/559007210.db2.gz IKUPIPRHVIWNPC-AWEZNQCLSA-N 1 1 412.446 0.602 50 0 HCAAMO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccn[nH]2)CC3)C1 ZINC000077504889 559007568 /nfs/dbraw/zinc/00/75/68/559007568.db2.gz FSDUDDLJKHHFNM-MRXNPFEDSA-N 1 1 403.508 0.933 50 0 HCAAMO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccn[nH]2)CC3)C1 ZINC000077504890 559007614 /nfs/dbraw/zinc/00/76/14/559007614.db2.gz FSDUDDLJKHHFNM-INIZCTEOSA-N 1 1 403.508 0.933 50 0 HCAAMO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4ncnc5[nH]cnc54)CC3)OC2=O)C1 ZINC000077504940 559007586 /nfs/dbraw/zinc/00/75/86/559007586.db2.gz LAGPMOQTXJOWGU-OAHLLOKOSA-N 1 1 414.514 0.780 50 0 HCAAMO C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(c4ncnc5[nH]cnc54)CC3)OC2=O)C1 ZINC000077504941 559007575 /nfs/dbraw/zinc/00/75/75/559007575.db2.gz LAGPMOQTXJOWGU-HNNXBMFYSA-N 1 1 414.514 0.780 50 0 HCAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC1=O ZINC000077518654 559007972 /nfs/dbraw/zinc/00/79/72/559007972.db2.gz QCQZRQGYHRGMBJ-UHFFFAOYSA-N 1 1 416.482 0.735 50 0 HCAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077518698 559008061 /nfs/dbraw/zinc/00/80/61/559008061.db2.gz LEXAVLCXIXJSID-AWEZNQCLSA-N 1 1 412.446 0.731 50 0 HCAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077518703 559008048 /nfs/dbraw/zinc/00/80/48/559008048.db2.gz LEXAVLCXIXJSID-CQSZACIVSA-N 1 1 412.446 0.731 50 0 HCAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)OC1=O ZINC000077538945 559008713 /nfs/dbraw/zinc/00/87/13/559008713.db2.gz ZYLNOKSBUAVOPE-KRWDZBQOSA-N 1 1 412.531 0.099 50 0 HCAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)OC1=O ZINC000077538948 559008731 /nfs/dbraw/zinc/00/87/31/559008731.db2.gz ZYLNOKSBUAVOPE-QGZVFWFLSA-N 1 1 412.531 0.099 50 0 HCAAMO CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CCN(C(=O)c4ccnn4C)CC3)OC2=O)C1 ZINC000077566075 559009331 /nfs/dbraw/zinc/00/93/31/559009331.db2.gz DYCUERKFQSMUNZ-KRWDZBQOSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@H]1CC[N@H+](CCCN2CC3(CCN(C(=O)c4ccnn4C)CC3)OC2=O)C1 ZINC000077566075 559009330 /nfs/dbraw/zinc/00/93/30/559009330.db2.gz DYCUERKFQSMUNZ-KRWDZBQOSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CCN(C(=O)c4ccnn4C)CC3)OC2=O)C1 ZINC000077566082 559009317 /nfs/dbraw/zinc/00/93/17/559009317.db2.gz DYCUERKFQSMUNZ-QGZVFWFLSA-N 1 1 418.542 0.873 50 0 HCAAMO CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CCN(C(=O)c4ccnn4C)CC3)OC2=O)C1 ZINC000077566082 559009316 /nfs/dbraw/zinc/00/93/16/559009316.db2.gz DYCUERKFQSMUNZ-QGZVFWFLSA-N 1 1 418.542 0.873 50 0 HCAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000078797220 569420468 /nfs/dbraw/zinc/42/04/68/569420468.db2.gz UCVWYPYOOARFIH-INIZCTEOSA-N 1 1 424.567 0.905 50 0 HCAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000078797224 569420352 /nfs/dbraw/zinc/42/03/52/569420352.db2.gz UCVWYPYOOARFIH-MRXNPFEDSA-N 1 1 424.567 0.905 50 0 HCAAMO C[NH+](C)CCN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000078800680 569420396 /nfs/dbraw/zinc/42/03/96/569420396.db2.gz WOQIDMOUHIHWFC-OAHLLOKOSA-N 1 1 420.535 0.823 50 0 HCAAMO 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CC[C@@H](O)C[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)C1 ZINC000169681488 569127485 /nfs/dbraw/zinc/12/74/85/569127485.db2.gz CRAOLDAEGAVMJY-MSOLQXFVSA-N 1 1 421.538 0.933 50 0 HCAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)C1 ZINC000169681489 569127543 /nfs/dbraw/zinc/12/75/43/569127543.db2.gz CRAOLDAEGAVMJY-ROUUACIJSA-N 1 1 421.538 0.933 50 0 HCAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)C1 ZINC000169681489 569127542 /nfs/dbraw/zinc/12/75/42/569127542.db2.gz CRAOLDAEGAVMJY-ROUUACIJSA-N 1 1 421.538 0.933 50 0 HCAAMO CC[C@@H]1CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC[N@H+]1C[C@@H](C)O ZINC000170604922 569243927 /nfs/dbraw/zinc/24/39/27/569243927.db2.gz RLARXJDAIGLZQA-NVXWUHKLSA-N 1 1 410.540 0.234 50 0 HCAAMO CC[C@H]1CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC[N@H+]1C[C@@H](C)O ZINC000170604923 569243944 /nfs/dbraw/zinc/24/39/44/569243944.db2.gz RLARXJDAIGLZQA-WBVHZDCISA-N 1 1 410.540 0.234 50 0 HCAAMO Cn1ncc2c1ncn(CC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)c2=O ZINC000170613551 569246940 /nfs/dbraw/zinc/24/69/40/569246940.db2.gz QBDJFBHKJXDKMQ-QGZVFWFLSA-N 1 1 410.478 0.537 50 0 HCAAMO Cn1ncc2c1ncn(CC(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)c2=O ZINC000170613553 569246917 /nfs/dbraw/zinc/24/69/17/569246917.db2.gz QBDJFBHKJXDKMQ-KRWDZBQOSA-N 1 1 410.478 0.537 50 0 HCAAMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000170616428 569247490 /nfs/dbraw/zinc/24/74/90/569247490.db2.gz USRCMXCVNRKBHJ-KZULUSFZSA-N 1 1 410.496 0.465 50 0 HCAAMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000170616429 569247467 /nfs/dbraw/zinc/24/74/67/569247467.db2.gz USRCMXCVNRKBHJ-KPZWWZAWSA-N 1 1 410.496 0.465 50 0 HCAAMO O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000170622090 569249200 /nfs/dbraw/zinc/24/92/00/569249200.db2.gz GPLIWLZQDODCLW-IBGZPJMESA-N 1 1 407.474 0.909 50 0 HCAAMO Cn1c2[nH]c(=NN3CC[NH+](C)CC3)n(CCCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000170624348 569249483 /nfs/dbraw/zinc/24/94/83/569249483.db2.gz QBKKNBCPGLXVAJ-UHFFFAOYSA-N 1 1 413.482 0.467 50 0 HCAAMO COc1ccccc1CN1C(=O)N[C@H](CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000206245455 560555142 /nfs/dbraw/zinc/55/51/42/560555142.db2.gz YTOZEDANTOIEMB-MRXNPFEDSA-N 1 1 404.467 0.344 50 0 HCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000223219119 1079787475 /nfs/dbraw/zinc/78/74/75/1079787475.db2.gz SQXSFDGUUQKPDC-HUUCEWRRSA-N 1 1 402.451 0.826 50 0 HCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000223219178 1079787439 /nfs/dbraw/zinc/78/74/39/1079787439.db2.gz SQXSFDGUUQKPDC-LSDHHAIUSA-N 1 1 402.451 0.826 50 0 HCAAMO CC[C@@H]1CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC[N@H+]1C[C@H](C)O ZINC000225347046 569039886 /nfs/dbraw/zinc/03/98/86/569039886.db2.gz RLARXJDAIGLZQA-DOTOQJQBSA-N 1 1 410.540 0.234 50 0 HCAAMO CC[C@H]1CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC[N@H+]1C[C@H](C)O ZINC000225347082 569039892 /nfs/dbraw/zinc/03/98/92/569039892.db2.gz RLARXJDAIGLZQA-RDJZCZTQSA-N 1 1 410.540 0.234 50 0 HCAAMO Cn1c2ncn(CC[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000225472076 568641186 /nfs/dbraw/zinc/64/11/86/568641186.db2.gz YYSYHNJBBDZQKQ-OKILXGFUSA-N 1 1 418.498 0.232 50 0 HCAAMO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000225518699 568646250 /nfs/dbraw/zinc/64/62/50/568646250.db2.gz NOBSNAWUHOSQDH-UHFFFAOYSA-N 1 1 402.455 0.349 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C1 ZINC000229865543 569040803 /nfs/dbraw/zinc/04/08/03/569040803.db2.gz BVEYMXKDAYEWLG-FGTMMUONSA-N 1 1 401.573 0.501 50 0 HCAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000230000450 568801370 /nfs/dbraw/zinc/80/13/70/568801370.db2.gz VXRCVFIFZKEBQI-FVMVMODRSA-N 1 1 407.854 0.478 50 0 HCAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000230018753 568801738 /nfs/dbraw/zinc/80/17/38/568801738.db2.gz KFVSZFOJGLIEBA-VNLCNXFJSA-N 1 1 421.453 0.997 50 0 biogenic HCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)C1 ZINC000230121969 568849219 /nfs/dbraw/zinc/84/92/19/568849219.db2.gz BVEYMXKDAYEWLG-KZNAEPCWSA-N 1 1 401.573 0.501 50 0 HCAAMO COC(=O)c1cc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@H]3NC2=O)cc(C(=O)OC)c1 ZINC000239433662 558847651 /nfs/dbraw/zinc/84/76/51/558847651.db2.gz YGZSNFKLHOULJN-OAGGEKHMSA-N 1 1 403.435 0.988 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)C1 ZINC000239672777 569054493 /nfs/dbraw/zinc/05/44/93/569054493.db2.gz BVEYMXKDAYEWLG-KURKYZTESA-N 1 1 401.573 0.501 50 0 HCAAMO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC000240321609 568730035 /nfs/dbraw/zinc/73/00/35/568730035.db2.gz FAQUIXOUCLVJMZ-GOSISDBHSA-N 1 1 416.522 0.885 50 0 HCAAMO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC000240321610 568730018 /nfs/dbraw/zinc/73/00/18/568730018.db2.gz FAQUIXOUCLVJMZ-SFHVURJKSA-N 1 1 416.522 0.885 50 0 HCAAMO CC(C)[C@H](CNC(=O)[C@@H]1CN(c2nccn3cnnc23)C[C@H]1C)[NH+]1CCOCC1 ZINC000240551428 569054638 /nfs/dbraw/zinc/05/46/38/569054638.db2.gz GTPDTIPTJBSRNO-ZACQAIPSSA-N 1 1 401.515 0.670 50 0 HCAAMO CC1(C)OCC(CO)([NH2+]CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CO1 ZINC000241287530 568731032 /nfs/dbraw/zinc/73/10/32/568731032.db2.gz LMGCTHUBKNKOHN-UHFFFAOYSA-N 1 1 405.495 0.967 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245326855 569055883 /nfs/dbraw/zinc/05/58/83/569055883.db2.gz MFLJGFJRRZDOEX-JEWRCQHSSA-N 1 1 407.854 0.396 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245326856 569055919 /nfs/dbraw/zinc/05/59/19/569055919.db2.gz MFLJGFJRRZDOEX-LNUMWUMJSA-N 1 1 407.854 0.396 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000245328645 569056005 /nfs/dbraw/zinc/05/60/05/569056005.db2.gz VWQCWNKZTWRJSO-LSFQYNEPSA-N 1 1 407.854 0.396 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000245328647 569055978 /nfs/dbraw/zinc/05/59/78/569055978.db2.gz VWQCWNKZTWRJSO-YXZXCEFLSA-N 1 1 407.854 0.396 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000245329471 569055950 /nfs/dbraw/zinc/05/59/50/569055950.db2.gz ZIKUXWQTHPHBQZ-LSFQYNEPSA-N 1 1 407.854 0.396 50 0 HCAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000245329472 569055971 /nfs/dbraw/zinc/05/59/71/569055971.db2.gz ZIKUXWQTHPHBQZ-YXZXCEFLSA-N 1 1 407.854 0.396 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4cccc(Cl)c4NC3=O)[C@H]2C1=O ZINC000248232695 559269166 /nfs/dbraw/zinc/26/91/66/559269166.db2.gz LJLWNJCMIKDALK-VCLWLLERSA-N 1 1 404.854 0.734 50 0 HCAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4cccc(Cl)c4NC3=O)[C@H]2C1=O ZINC000248232697 559269170 /nfs/dbraw/zinc/26/91/70/559269170.db2.gz LJLWNJCMIKDALK-ZJGWCVBLSA-N 1 1 404.854 0.734 50 0 HCAAMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000252476814 559277290 /nfs/dbraw/zinc/27/72/90/559277290.db2.gz CBPHWPRKFQLNHX-SFHVURJKSA-N 1 1 424.542 0.829 50 0 HCAAMO O=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCC[NH+]1CCOCC1 ZINC000252497207 569387695 /nfs/dbraw/zinc/38/76/95/569387695.db2.gz QBOBEWBDCMITIZ-AWEZNQCLSA-N 1 1 414.384 0.962 50 0 HCAAMO O=C(C[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCC[NH+]1CCOCC1 ZINC000252497208 559277218 /nfs/dbraw/zinc/27/72/18/559277218.db2.gz QBOBEWBDCMITIZ-CQSZACIVSA-N 1 1 414.384 0.962 50 0 HCAAMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000252516589 569292137 /nfs/dbraw/zinc/29/21/37/569292137.db2.gz USRCMXCVNRKBHJ-SGTLLEGYSA-N 1 1 410.496 0.465 50 0 HCAAMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000252516590 569292148 /nfs/dbraw/zinc/29/21/48/569292148.db2.gz USRCMXCVNRKBHJ-XIKOKIGWSA-N 1 1 410.496 0.465 50 0 HCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(CCCOC)C(=O)[C@@H]31)C(=O)N2 ZINC000253386425 569364865 /nfs/dbraw/zinc/36/48/65/569364865.db2.gz WRZGRHQRBYISMB-AAMDGPTHSA-N 1 1 401.463 0.387 50 0 HCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@@H]3C(=O)N(CCCOC)C(=O)[C@H]31)C(=O)N2 ZINC000253386426 569364873 /nfs/dbraw/zinc/36/48/73/569364873.db2.gz WRZGRHQRBYISMB-LRRGKUICSA-N 1 1 401.463 0.387 50 0 HCAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@@H]3C(=O)N(CCCOC)C(=O)[C@@H]31)C(=O)N2 ZINC000253386427 569364879 /nfs/dbraw/zinc/36/48/79/569364879.db2.gz WRZGRHQRBYISMB-OYJAXJLBSA-N 1 1 401.463 0.387 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000253386733 569364881 /nfs/dbraw/zinc/36/48/81/569364881.db2.gz XTSASCMQZOCONU-IHBYYCDYSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000253386734 569364891 /nfs/dbraw/zinc/36/48/91/569364891.db2.gz XTSASCMQZOCONU-OTRRDNBXSA-N 1 1 419.865 0.620 50 0 HCAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000253386735 569364852 /nfs/dbraw/zinc/36/48/52/569364852.db2.gz XTSASCMQZOCONU-YACGWFDQSA-N 1 1 419.865 0.620 50 0 HCAAMO COC(=O)c1cn(-c2ccc([C@H](O)CN3CC[NH+](C)CC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253403466 569051385 /nfs/dbraw/zinc/05/13/85/569051385.db2.gz HENYPULXAWHRKN-GOSISDBHSA-N 1 1 411.462 0.733 50 0 HCAAMO COC(=O)c1cn(-c2ccc([C@@H](O)CN3CC[NH+](C)CC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253403469 569051376 /nfs/dbraw/zinc/05/13/76/569051376.db2.gz HENYPULXAWHRKN-SFHVURJKSA-N 1 1 411.462 0.733 50 0 HCAAMO O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253414154 569367017 /nfs/dbraw/zinc/36/70/17/569367017.db2.gz WPXQSKYWIBWSCO-QFBILLFUSA-N 1 1 411.506 0.893 50 0 biogenic HCAAMO COC(=O)c1cn(-c2cccc(NC(=O)CN3CC[NH+](C)CC3)c2)cc2c(=O)[nH]nc1-2 ZINC000253414619 569389031 /nfs/dbraw/zinc/38/90/31/569389031.db2.gz XZGJWIYEWKDMIG-UHFFFAOYSA-N 1 1 424.461 0.638 50 0 HCAAMO CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000253415617 569367161 /nfs/dbraw/zinc/36/71/61/569367161.db2.gz BYNZJNJVLFYACV-UHFFFAOYSA-N 1 1 413.482 0.542 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422942 559280431 /nfs/dbraw/zinc/28/04/31/559280431.db2.gz LGBOKVPVCPKOTP-AEFFLSMTSA-N 1 1 413.540 0.189 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422943 569367962 /nfs/dbraw/zinc/36/79/62/569367962.db2.gz LGBOKVPVCPKOTP-FUHWJXTLSA-N 1 1 413.540 0.189 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422946 569367925 /nfs/dbraw/zinc/36/79/25/569367925.db2.gz LGBOKVPVCPKOTP-SJLPKXTDSA-N 1 1 413.540 0.189 50 0 HCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422947 569367970 /nfs/dbraw/zinc/36/79/70/569367970.db2.gz LGBOKVPVCPKOTP-WMZOPIPTSA-N 1 1 413.540 0.189 50 0 HCAAMO C[N@H+]1CCN(CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000253426905 569368281 /nfs/dbraw/zinc/36/82/81/569368281.db2.gz BWLRLYAGBFDPSR-GOSISDBHSA-N 1 1 424.492 0.976 50 0 HCAAMO C[N@@H+]1CCN(CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000253426905 569368280 /nfs/dbraw/zinc/36/82/80/569368280.db2.gz BWLRLYAGBFDPSR-GOSISDBHSA-N 1 1 424.492 0.976 50 0 HCAAMO CN1CC[N@@H+](CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000253426905 569368279 /nfs/dbraw/zinc/36/82/79/569368279.db2.gz BWLRLYAGBFDPSR-GOSISDBHSA-N 1 1 424.492 0.976 50 0 HCAAMO C[N@H+]1CCN(CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000253426908 569368304 /nfs/dbraw/zinc/36/83/04/569368304.db2.gz BWLRLYAGBFDPSR-SFHVURJKSA-N 1 1 424.492 0.976 50 0 HCAAMO C[N@@H+]1CCN(CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000253426908 569368303 /nfs/dbraw/zinc/36/83/03/569368303.db2.gz BWLRLYAGBFDPSR-SFHVURJKSA-N 1 1 424.492 0.976 50 0 HCAAMO CN1CC[N@@H+](CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000253426908 569368302 /nfs/dbraw/zinc/36/83/02/569368302.db2.gz BWLRLYAGBFDPSR-SFHVURJKSA-N 1 1 424.492 0.976 50 0 HCAAMO C[N@@H+](CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)C1CC1 ZINC000253428032 569368480 /nfs/dbraw/zinc/36/84/80/569368480.db2.gz OPSPTXWXIDCXKU-HNNXBMFYSA-N 1 1 401.916 0.940 50 0 HCAAMO C[N@@H+](CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)C1CC1 ZINC000253428036 569368438 /nfs/dbraw/zinc/36/84/38/569368438.db2.gz OPSPTXWXIDCXKU-OAHLLOKOSA-N 1 1 401.916 0.940 50 0 HCAAMO COCCNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000257192241 1073436047 /nfs/dbraw/zinc/43/60/47/1073436047.db2.gz QKSMPXTYUADIEM-QUCCMNQESA-N 1 1 419.522 0.427 50 0 HCAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000263587654 568883058 /nfs/dbraw/zinc/88/30/58/568883058.db2.gz JOQAYCQPYNAFAX-SFHVURJKSA-N 1 1 411.462 0.872 50 0 HCAAMO COc1cc(=O)n2c(c1C(=O)N1CCNC(=O)C1)CC[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000299776607 568874826 /nfs/dbraw/zinc/87/48/26/568874826.db2.gz AGGYFRHDWRNXOG-INIZCTEOSA-N 1 1 414.506 0.643 50 0 HCAAMO COc1cc(=O)n2c(c1C(=O)N1CCNC(=O)C1)CC[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000299776608 568874818 /nfs/dbraw/zinc/87/48/18/568874818.db2.gz AGGYFRHDWRNXOG-MRXNPFEDSA-N 1 1 414.506 0.643 50 0 HCAAMO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]nc2c1CCC2 ZINC000299790860 568875845 /nfs/dbraw/zinc/87/58/45/568875845.db2.gz BTXSFNFMPKZBBR-KRWDZBQOSA-N 1 1 415.538 0.978 50 0 HCAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]nc2c1CCC2 ZINC000299790880 568875748 /nfs/dbraw/zinc/87/57/48/568875748.db2.gz BTXSFNFMPKZBBR-QGZVFWFLSA-N 1 1 415.538 0.978 50 0 HCAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000334161845 558980458 /nfs/dbraw/zinc/98/04/58/558980458.db2.gz JOISMJWEPLTOGD-QGZVFWFLSA-N 1 1 404.467 0.344 50 0 HCAAMO O=C(CCNS(=O)(=O)c1ccccc1F)NCc1cn(-c2cc[nH+]cc2)nn1 ZINC000390831517 568495793 /nfs/dbraw/zinc/49/57/93/568495793.db2.gz SHFLESWORULHPR-UHFFFAOYSA-N 1 1 404.427 0.786 50 0 HCAAMO O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000409413298 560723070 /nfs/dbraw/zinc/72/30/70/560723070.db2.gz JOQAYCQPYNAFAX-GOSISDBHSA-N 1 1 411.462 0.872 50 0 HCAAMO Cc1cccc(S(=O)(=O)NCCC(=O)NCc2cn(-c3cc[nH+]cc3)nn2)c1 ZINC000575414744 569025525 /nfs/dbraw/zinc/02/55/25/569025525.db2.gz ODXOPWOGKHSNFQ-UHFFFAOYSA-N 1 1 400.464 0.956 50 0 HCAAMO O=C1CCc2cc(S(=O)(=O)NCc3cn(-c4cc[nH+]cc4)nn3)cc3c2N1CC3 ZINC000575615559 569036152 /nfs/dbraw/zinc/03/61/52/569036152.db2.gz FFAYHMZRDGRYRO-UHFFFAOYSA-N 1 1 410.459 0.976 50 0 HCAAMO O=C(NCc1nc(-c2ccccn2)no1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000670434419 568869754 /nfs/dbraw/zinc/86/97/54/568869754.db2.gz CATPHLVOSVWPGB-AWEZNQCLSA-N 1 1 405.480 0.647 50 0 HCAAMO O=C(NCc1nc(-c2ccccn2)no1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000670434420 568869820 /nfs/dbraw/zinc/86/98/20/568869820.db2.gz CATPHLVOSVWPGB-CQSZACIVSA-N 1 1 405.480 0.647 50 0 HCAAMO COCCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)C1 ZINC000670447686 568917242 /nfs/dbraw/zinc/91/72/42/568917242.db2.gz HZZNTFKOLMYALN-CYBMUJFWSA-N 1 1 410.496 0.276 50 0 HCAAMO COCCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)C1 ZINC000670447688 568917283 /nfs/dbraw/zinc/91/72/83/568917283.db2.gz HZZNTFKOLMYALN-ZDUSSCGKSA-N 1 1 410.496 0.276 50 0 HCAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-n2cnnn2)cc1 ZINC000670462169 568952320 /nfs/dbraw/zinc/95/23/20/568952320.db2.gz BGFMUGGFBMCEAK-JRSYVHTFSA-N 1 1 415.501 0.960 50 0 HCAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-n2cnnn2)cc1 ZINC000670462170 568952332 /nfs/dbraw/zinc/95/23/32/568952332.db2.gz BGFMUGGFBMCEAK-STDCAVTESA-N 1 1 415.501 0.960 50 0 HCAAMO CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000670468188 568974540 /nfs/dbraw/zinc/97/45/40/568974540.db2.gz UXGQBVMYIBNFRA-HNNXBMFYSA-N 1 1 420.557 0.030 50 0 HCAAMO CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000670468189 568974596 /nfs/dbraw/zinc/97/45/96/568974596.db2.gz UXGQBVMYIBNFRA-OAHLLOKOSA-N 1 1 420.557 0.030 50 0 HCAAMO Cc1cc(C)n(CC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c(=O)n1 ZINC000670468922 568977478 /nfs/dbraw/zinc/97/74/78/568977478.db2.gz IBPCFJWMOGJZHH-JRSYVHTFSA-N 1 1 407.518 0.544 50 0 HCAAMO Cc1cc(C)n(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c(=O)n1 ZINC000670468923 568977559 /nfs/dbraw/zinc/97/75/59/568977559.db2.gz IBPCFJWMOGJZHH-STDCAVTESA-N 1 1 407.518 0.544 50 0 HCAAMO